mirror of
https://git.gfz-potsdam.de/naaice/iphreeqc.git
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Merge commit '4b937c611657c62e7ad1323f73fd6bd9101ba994'
This commit is contained in:
Darth Vader
commit
66386d144c
@ -116,163 +116,196 @@ configure_file (
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#
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# ex1
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configure_file(ex1 ex1 COPYONLY)
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add_test(NAME examples.ex1
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COMMAND $<TARGET_FILE:phreeqc> ${PROJECT_SOURCE_DIR}/examples/ex1 ex1.out ${PROJECT_SOURCE_DIR}/database/phreeqc.dat ex1.log
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COMMAND $<TARGET_FILE:phreeqc> ../examples/ex1 ex1.out ../database/phreeqc.dat ex1.log
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)
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# ex2
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configure_file(ex2 ex2 COPYONLY)
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add_test(NAME examples.ex2
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COMMAND $<TARGET_FILE:phreeqc> ${PROJECT_SOURCE_DIR}/examples/ex2 ex2.out ${PROJECT_SOURCE_DIR}/database/phreeqc.dat ex2.log
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COMMAND $<TARGET_FILE:phreeqc> ../examples/ex2 ex2.out ../database/phreeqc.dat ex2.log
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)
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# ex2b
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configure_file(ex2b ex2b COPYONLY)
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add_test(NAME examples.ex2b
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COMMAND $<TARGET_FILE:phreeqc> ${PROJECT_SOURCE_DIR}/examples/ex2b ex2b.out ${PROJECT_SOURCE_DIR}/database/phreeqc.dat ex2b.log
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COMMAND $<TARGET_FILE:phreeqc> ../examples/ex2b ex2b.out ../database/phreeqc.dat ex2b.log
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)
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# ex3
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configure_file(ex3 ex3 COPYONLY)
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add_test(NAME examples.ex3
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COMMAND $<TARGET_FILE:phreeqc> ${PROJECT_SOURCE_DIR}/examples/ex3 ex3.out ${PROJECT_SOURCE_DIR}/database/phreeqc.dat ex3.log
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COMMAND $<TARGET_FILE:phreeqc> ../examples/ex3 ex3.out ../database/phreeqc.dat ex3.log
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)
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# ex4
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configure_file(ex4 ex4 COPYONLY)
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add_test(NAME examples.ex4
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COMMAND $<TARGET_FILE:phreeqc> ${PROJECT_SOURCE_DIR}/examples/ex4 ex4.out ${PROJECT_SOURCE_DIR}/database/phreeqc.dat ex4.log
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COMMAND $<TARGET_FILE:phreeqc> ../examples/ex4 ex4.out ../database/phreeqc.dat ex4.log
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)
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# ex5
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configure_file(ex5 ex5 COPYONLY)
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add_test(NAME examples.ex5
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COMMAND $<TARGET_FILE:phreeqc> ${PROJECT_SOURCE_DIR}/examples/ex5 ex5.out ${PROJECT_SOURCE_DIR}/database/phreeqc.dat ex5.log
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COMMAND $<TARGET_FILE:phreeqc> ../examples/ex5 ex5.out ../database/phreeqc.dat ex5.log
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)
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# ex6
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configure_file(ex6 ex6 COPYONLY)
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add_test(NAME examples.ex6
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COMMAND $<TARGET_FILE:phreeqc> ${PROJECT_SOURCE_DIR}/examples/ex6 ex6.out ${PROJECT_SOURCE_DIR}/database/phreeqc.dat ex6.log
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COMMAND $<TARGET_FILE:phreeqc> ../examples/ex6 ex6.out ../database/phreeqc.dat ex6.log
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)
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# ex7
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configure_file(ex7 ex7 COPYONLY)
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add_test(NAME examples.ex7
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COMMAND $<TARGET_FILE:phreeqc> ${PROJECT_SOURCE_DIR}/examples/ex7 ex7.out ${PROJECT_SOURCE_DIR}/database/phreeqc.dat ex7.log
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COMMAND $<TARGET_FILE:phreeqc> ../examples/ex7 ex7.out ../database/phreeqc.dat ex7.log
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)
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# ex8
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configure_file(ex8 ex8 COPYONLY)
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add_test(NAME examples.ex8
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COMMAND $<TARGET_FILE:phreeqc> ${PROJECT_SOURCE_DIR}/examples/ex8 ex8.out ${PROJECT_SOURCE_DIR}/database/phreeqc.dat ex8.log
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COMMAND $<TARGET_FILE:phreeqc> ../examples/ex8 ex8.out ../database/phreeqc.dat ex8.log
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)
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# ex9
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configure_file(ex9 ex9 COPYONLY)
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add_test(NAME examples.ex9
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COMMAND $<TARGET_FILE:phreeqc> ${PROJECT_SOURCE_DIR}/examples/ex9 ex9.out ${PROJECT_SOURCE_DIR}/database/phreeqc.dat ex9.log
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COMMAND $<TARGET_FILE:phreeqc> ../examples/ex9 ex9.out ../database/phreeqc.dat ex9.log
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)
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# ex10
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configure_file(ex10 ex10 COPYONLY)
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add_test(NAME examples.ex10
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COMMAND $<TARGET_FILE:phreeqc> ${PROJECT_SOURCE_DIR}/examples/ex10 ex10.out ${PROJECT_SOURCE_DIR}/database/phreeqc.dat ex10.log
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COMMAND $<TARGET_FILE:phreeqc> ../examples/ex10 ex10.out ../database/phreeqc.dat ex10.log
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)
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# ex11
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configure_file(ex11 ex11 COPYONLY)
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add_test(NAME examples.ex11
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COMMAND $<TARGET_FILE:phreeqc> ${PROJECT_SOURCE_DIR}/examples/ex11 ex11.out ${PROJECT_SOURCE_DIR}/database/phreeqc.dat ex11.log
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COMMAND $<TARGET_FILE:phreeqc> ../examples/ex11 ex11.out ../database/phreeqc.dat ex11.log
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)
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# ex12
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configure_file(ex12 ex12 COPYONLY)
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add_test(NAME examples.ex12
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COMMAND $<TARGET_FILE:phreeqc> ${PROJECT_SOURCE_DIR}/examples/ex12 ex12.out ${PROJECT_SOURCE_DIR}/database/phreeqc.dat ex12.log
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COMMAND $<TARGET_FILE:phreeqc> ../examples/ex12 ex12.out ../database/phreeqc.dat ex12.log
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)
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# ex12a
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configure_file(ex12a ex12a COPYONLY)
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add_test(NAME examples.ex12a
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COMMAND $<TARGET_FILE:phreeqc> ${PROJECT_SOURCE_DIR}/examples/ex12a ex12a.out ${PROJECT_SOURCE_DIR}/database/phreeqc.dat ex12a.log
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COMMAND $<TARGET_FILE:phreeqc> ../examples/ex12a ex12a.out ../database/phreeqc.dat ex12a.log
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)
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# ex13a
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configure_file(ex13a ex13a COPYONLY)
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add_test(NAME examples.ex13a
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COMMAND $<TARGET_FILE:phreeqc> ${PROJECT_SOURCE_DIR}/examples/ex13a ex13a.out ${PROJECT_SOURCE_DIR}/database/phreeqc.dat ex13a.log
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COMMAND $<TARGET_FILE:phreeqc> ../examples/ex13a ex13a.out ../database/phreeqc.dat ex13a.log
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)
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# ex13b
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configure_file(ex13b ex13b COPYONLY)
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add_test(NAME examples.ex13b
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COMMAND $<TARGET_FILE:phreeqc> ${PROJECT_SOURCE_DIR}/examples/ex13b ex13b.out ${PROJECT_SOURCE_DIR}/database/phreeqc.dat ex13b.log
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COMMAND $<TARGET_FILE:phreeqc> ../examples/ex13b ex13b.out ../database/phreeqc.dat ex13b.log
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)
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# ex13c
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configure_file(ex13c ex13c COPYONLY)
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add_test(NAME examples.ex13c
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COMMAND $<TARGET_FILE:phreeqc> ${PROJECT_SOURCE_DIR}/examples/ex13c ex13c.out ${PROJECT_SOURCE_DIR}/database/phreeqc.dat ex13c.log
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COMMAND $<TARGET_FILE:phreeqc> ../examples/ex13c ex13c.out ../database/phreeqc.dat ex13c.log
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)
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# ex13ac
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configure_file(ex13ac ex13ac COPYONLY)
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add_test(NAME examples.ex13ac
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COMMAND $<TARGET_FILE:phreeqc> ${PROJECT_SOURCE_DIR}/examples/ex13ac ex13ac.out ${PROJECT_SOURCE_DIR}/database/phreeqc.dat ex13ac.log
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COMMAND $<TARGET_FILE:phreeqc> ../examples/ex13ac ex13ac.out ../database/phreeqc.dat ex13ac.log
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)
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# ex14
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configure_file(ex14 ex14 COPYONLY)
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add_test(NAME examples.ex14
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COMMAND $<TARGET_FILE:phreeqc> ${PROJECT_SOURCE_DIR}/examples/ex14 ex14.out ${PROJECT_SOURCE_DIR}/database/phreeqc.dat ex14.log
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COMMAND $<TARGET_FILE:phreeqc> ../examples/ex14 ex14.out ../database/phreeqc.dat ex14.log
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)
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# ex15
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configure_file(ex15 ex15 COPYONLY)
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configure_file(ex15.dat ex15.dat COPYONLY)
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add_test(NAME examples.ex15
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COMMAND $<TARGET_FILE:phreeqc> ${PROJECT_SOURCE_DIR}/examples/ex15 ex15.out ${PROJECT_SOURCE_DIR}/examples/ex15.dat ex15.log
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||||
COMMAND $<TARGET_FILE:phreeqc> ../examples/ex15 ex15.out ../examples/ex15.dat ex15.log
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)
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# ex15a
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configure_file(ex15a ex15a COPYONLY)
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add_test(NAME examples.ex15a
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COMMAND $<TARGET_FILE:phreeqc> ${PROJECT_SOURCE_DIR}/examples/ex15a ex15a.out ${PROJECT_SOURCE_DIR}/examples/ex15.dat ex15a.log
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||||
COMMAND $<TARGET_FILE:phreeqc> ../examples/ex15a ex15a.out ../examples/ex15.dat ex15a.log
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)
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# ex15b
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configure_file(ex15b ex15b COPYONLY)
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add_test(NAME examples.ex15b
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COMMAND $<TARGET_FILE:phreeqc> ${PROJECT_SOURCE_DIR}/examples/ex15b ex15b.out ${PROJECT_SOURCE_DIR}/examples/ex15.dat ex15b.log
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COMMAND $<TARGET_FILE:phreeqc> ../examples/ex15b ex15b.out ../examples/ex15.dat ex15b.log
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)
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# ex16
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configure_file(ex16 ex16 COPYONLY)
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add_test(NAME examples.ex16
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COMMAND $<TARGET_FILE:phreeqc> ${PROJECT_SOURCE_DIR}/examples/ex16 ex16.out ${PROJECT_SOURCE_DIR}/database/phreeqc.dat ex16.log
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COMMAND $<TARGET_FILE:phreeqc> ../examples/ex16 ex16.out ../database/phreeqc.dat ex16.log
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)
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# ex17
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configure_file(ex17 ex17 COPYONLY)
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add_test(NAME examples.ex17
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COMMAND $<TARGET_FILE:phreeqc> ${PROJECT_SOURCE_DIR}/examples/ex17 ex17.out ${PROJECT_SOURCE_DIR}/database/pitzer.dat ex17.log
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COMMAND $<TARGET_FILE:phreeqc> ../examples/ex17 ex17.out ../database/pitzer.dat ex17.log
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)
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# ex17b
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configure_file(ex17b ex17b COPYONLY)
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add_test(NAME examples.ex17b
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COMMAND $<TARGET_FILE:phreeqc> ${PROJECT_SOURCE_DIR}/examples/ex17b ex17b.out ${PROJECT_SOURCE_DIR}/database/pitzer.dat ex17b.log
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COMMAND $<TARGET_FILE:phreeqc> ../examples/ex17b ex17b.out ../database/pitzer.dat ex17b.log
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)
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# ex18
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configure_file(ex18 ex18 COPYONLY)
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add_test(NAME examples.ex18
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COMMAND $<TARGET_FILE:phreeqc> ${PROJECT_SOURCE_DIR}/examples/ex18 ex18.out ${PROJECT_SOURCE_DIR}/database/phreeqc.dat ex18.log
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COMMAND $<TARGET_FILE:phreeqc> ../examples/ex18 ex18.out ../database/phreeqc.dat ex18.log
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)
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# ex19
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configure_file(ex19 ex19 COPYONLY)
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add_test(NAME examples.ex19
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COMMAND $<TARGET_FILE:phreeqc> ${PROJECT_SOURCE_DIR}/examples/ex19 ex19.out ${PROJECT_SOURCE_DIR}/database/phreeqc.dat ex19.log
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COMMAND $<TARGET_FILE:phreeqc> ../examples/ex19 ex19.out ../database/phreeqc.dat ex19.log
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)
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# ex19b
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configure_file(ex19b ex19b COPYONLY)
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add_test(NAME examples.ex19b
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COMMAND $<TARGET_FILE:phreeqc> ${PROJECT_SOURCE_DIR}/examples/ex19b ex19b.out ${PROJECT_SOURCE_DIR}/database/phreeqc.dat ex19b.log
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COMMAND $<TARGET_FILE:phreeqc> ../examples/ex19b ex19b.out ../database/phreeqc.dat ex19b.log
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)
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# ex20a
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configure_file(ex20a ex20a COPYONLY)
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add_test(NAME examples.ex20a
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COMMAND $<TARGET_FILE:phreeqc> ${PROJECT_SOURCE_DIR}/examples/ex20a ex20a.out ${PROJECT_SOURCE_DIR}/database/iso.dat ex20a.log
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COMMAND $<TARGET_FILE:phreeqc> ../examples/ex20a ex20a.out ../database/iso.dat ex20a.log
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)
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# ex20b
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configure_file(ex20b ex20b COPYONLY)
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add_test(NAME examples.ex20b
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COMMAND $<TARGET_FILE:phreeqc> ${PROJECT_SOURCE_DIR}/examples/ex20b ex20b.out ${PROJECT_SOURCE_DIR}/database/iso.dat ex20b.log
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||||
COMMAND $<TARGET_FILE:phreeqc> ../examples/ex20b ex20b.out ../database/iso.dat ex20b.log
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)
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# ex21
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configure_file(ex21 ex21 COPYONLY)
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||||
add_test(NAME examples.ex21
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COMMAND $<TARGET_FILE:phreeqc> ${PROJECT_SOURCE_DIR}/examples/ex21 ex21.out ${PROJECT_SOURCE_DIR}/database/phreeqc.dat ex21.log
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||||
COMMAND $<TARGET_FILE:phreeqc> ../examples/ex21 ex21.out ../database/phreeqc.dat ex21.log
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)
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# ex22
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configure_file(ex22 ex22 COPYONLY)
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add_test(NAME examples.ex22
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COMMAND $<TARGET_FILE:phreeqc> ${PROJECT_SOURCE_DIR}/examples/ex22 ex22.out ${PROJECT_SOURCE_DIR}/database/phreeqc.dat ex22.log
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||||
COMMAND $<TARGET_FILE:phreeqc> ../examples/ex22 ex22.out ../database/phreeqc.dat ex22.log
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)
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# Note when setting labels we can't use the following:
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@ -111,7 +111,7 @@ Initial solution 1. SEAWATER FROM NORDSTROM AND OTHERS (1979)
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N(-3) 1.724e-06 1.724e-06
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N(5) 4.847e-06 4.847e-06
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Na 4.854e-01 4.854e-01
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O(0) 4.376e-04 4.376e-04 Equilibrium with O2(g)
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O(0) 4.377e-04 4.377e-04 Equilibrium with O2(g)
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S(6) 2.926e-02 2.926e-02
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||||
Si 7.382e-05 7.382e-05
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||||
U 1.437e-08 1.437e-08
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@ -120,202 +120,210 @@ Initial solution 1. SEAWATER FROM NORDSTROM AND OTHERS (1979)
|
||||
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||||
pH = 8.220
|
||||
pe = 8.451
|
||||
Specific Conductance (µS/cm, 25°C) = 52630
|
||||
Density (g/cm³) = 1.02323
|
||||
Volume (L) = 1.01282
|
||||
Specific Conductance (µS/cm, 25°C) = 52731
|
||||
Density (g/cm³) = 1.02327
|
||||
Volume (L) = 1.01279
|
||||
Viscosity (mPa s) = 0.95702
|
||||
Activity of water = 0.981
|
||||
Ionic strength (mol/kgw) = 6.747e-01
|
||||
Ionic strength (mol/kgw) = 6.741e-01
|
||||
Mass of water (kg) = 1.000e+00
|
||||
Total carbon (mol/kg) = 2.182e-03
|
||||
Total CO2 (mol/kg) = 2.182e-03
|
||||
Temperature (°C) = 25.00
|
||||
Total carbon (mol/kg) = 2.239e-03
|
||||
Total CO2 (mol/kg) = 2.239e-03
|
||||
Temperature (°C) = 25.00
|
||||
Electrical balance (eq) = 7.936e-04
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.07
|
||||
Iterations = 7
|
||||
Total H = 1.110147e+02
|
||||
Total O = 5.563054e+01
|
||||
Total H = 1.110148e+02
|
||||
Total O = 5.563071e+01
|
||||
|
||||
---------------------------------Redox couples---------------------------------
|
||||
|
||||
Redox couple pe Eh (volts)
|
||||
|
||||
N(-3)/N(5) 4.6750 0.2766
|
||||
O(-2)/O(0) 12.4062 0.7339
|
||||
N(-3)/N(5) 4.6754 0.2766
|
||||
O(-2)/O(0) 12.4061 0.7339
|
||||
|
||||
----------------------------Distribution of species----------------------------
|
||||
|
||||
Log Log Log mole V
|
||||
Species Molality Activity Molality Activity Gamma cm³/mol
|
||||
Species Molality Activity Molality Activity Gamma cm³/mol
|
||||
|
||||
OH- 2.705e-06 1.647e-06 -5.568 -5.783 -0.215 -2.63
|
||||
H+ 7.984e-09 6.026e-09 -8.098 -8.220 -0.122 0.00
|
||||
H+ 7.983e-09 6.026e-09 -8.098 -8.220 -0.122 0.00
|
||||
H2O 5.551e+01 9.806e-01 1.744 -0.009 0.000 18.07
|
||||
C(4) 2.182e-03
|
||||
HCO3- 1.485e-03 1.003e-03 -2.828 -2.999 -0.171 26.98
|
||||
MgHCO3+ 2.560e-04 1.610e-04 -3.592 -3.793 -0.201 5.82
|
||||
NaHCO3 1.658e-04 1.936e-04 -3.781 -3.713 0.067 1.80
|
||||
MgCO3 8.747e-05 1.022e-04 -4.058 -3.991 0.067 -17.09
|
||||
NaCO3- 6.682e-05 4.990e-05 -4.175 -4.302 -0.127 2.88
|
||||
CaHCO3+ 4.453e-05 3.081e-05 -4.351 -4.511 -0.160 9.96
|
||||
CO3-2 3.752e-05 7.803e-06 -4.426 -5.108 -0.682 -1.97
|
||||
CaCO3 2.703e-05 3.158e-05 -4.568 -4.501 0.067 -14.60
|
||||
CO2 1.186e-05 1.385e-05 -4.926 -4.858 0.067 34.43
|
||||
UO2(CO3)3-4 1.252e-08 1.173e-10 -7.902 -9.931 -2.028 (0)
|
||||
UO2(CO3)2-2 1.837e-09 5.716e-10 -8.736 -9.243 -0.507 (0)
|
||||
MnCO3 2.550e-10 2.979e-10 -9.593 -9.526 0.067 (0)
|
||||
MnHCO3+ 6.475e-11 4.294e-11 -10.189 -10.367 -0.178 (0)
|
||||
UO2CO3 7.662e-12 8.950e-12 -11.116 -11.048 0.067 (0)
|
||||
(CO2)2 3.015e-12 3.522e-12 -11.521 -11.453 0.067 68.87
|
||||
FeCO3 1.796e-20 2.098e-20 -19.746 -19.678 0.067 (0)
|
||||
FeHCO3+ 1.505e-20 1.124e-20 -19.823 -19.949 -0.127 (0)
|
||||
C(4) 2.239e-03
|
||||
HCO3- 1.572e-03 1.062e-03 -2.804 -2.974 -0.170 26.61
|
||||
MgHCO3+ 2.743e-04 1.725e-04 -3.562 -3.763 -0.201 5.82
|
||||
NaHCO3 1.700e-04 2.429e-04 -3.770 -3.615 0.155 28.00
|
||||
MgCO3 9.375e-05 1.095e-04 -4.028 -3.961 0.067 -17.09
|
||||
CaHCO3+ 4.751e-05 3.287e-05 -4.323 -4.483 -0.160 9.96
|
||||
CO3-2 3.972e-05 8.263e-06 -4.401 -5.083 -0.682 -0.40
|
||||
CaCO3 2.884e-05 3.369e-05 -4.540 -4.473 0.067 -14.60
|
||||
CO2 1.324e-05 1.467e-05 -4.878 -4.834 0.044 34.43
|
||||
UO2(CO3)3-4 1.262e-08 1.180e-10 -7.899 -9.928 -2.029 (0)
|
||||
UO2(CO3)2-2 1.746e-09 5.430e-10 -8.758 -9.265 -0.507 (0)
|
||||
MnCO3 2.699e-10 3.153e-10 -9.569 -9.501 0.067 (0)
|
||||
MnHCO3+ 6.852e-11 4.545e-11 -10.164 -10.342 -0.178 (0)
|
||||
UO2CO3 6.874e-12 8.028e-12 -11.163 -11.095 0.067 (0)
|
||||
(CO2)2 3.382e-12 3.949e-12 -11.471 -11.403 0.067 68.87
|
||||
FeCO3 1.902e-20 2.222e-20 -19.721 -19.653 0.067 (0)
|
||||
FeHCO3+ 1.593e-20 1.190e-20 -19.798 -19.924 -0.127 (0)
|
||||
Ca 1.066e-02
|
||||
Ca+2 9.634e-03 2.409e-03 -2.016 -2.618 -0.602 -16.69
|
||||
CaSO4 9.548e-04 1.115e-03 -3.020 -2.953 0.067 7.50
|
||||
CaHCO3+ 4.453e-05 3.081e-05 -4.351 -4.511 -0.160 9.96
|
||||
CaCO3 2.703e-05 3.158e-05 -4.568 -4.501 0.067 -14.60
|
||||
CaOH+ 8.711e-08 6.505e-08 -7.060 -7.187 -0.127 (0)
|
||||
CaHSO4+ 5.915e-11 4.418e-11 -10.228 -10.355 -0.127 (0)
|
||||
Ca+2 9.706e-03 2.427e-03 -2.013 -2.615 -0.602 -16.70
|
||||
CaSO4 8.788e-04 1.026e-03 -3.056 -2.989 0.067 7.50
|
||||
CaHCO3+ 4.751e-05 3.287e-05 -4.323 -4.483 -0.160 9.96
|
||||
CaCO3 2.884e-05 3.369e-05 -4.540 -4.473 0.067 -14.60
|
||||
CaOH+ 8.777e-08 6.554e-08 -7.057 -7.183 -0.127 (0)
|
||||
CaHSO4+ 5.444e-11 4.065e-11 -10.264 -10.391 -0.127 (0)
|
||||
Cl 5.657e-01
|
||||
Cl- 5.657e-01 3.568e-01 -0.247 -0.448 -0.200 18.79
|
||||
MnCl+ 1.053e-09 6.985e-10 -8.977 -9.156 -0.178 -2.79
|
||||
MnCl2 9.314e-11 1.088e-10 -10.031 -9.963 0.067 85.89
|
||||
MnCl+ 1.053e-09 6.982e-10 -8.978 -9.156 -0.178 -2.79
|
||||
HCl 3.826e-10 7.407e-10 -9.417 -9.130 0.287 (0)
|
||||
MnCl2 9.313e-11 1.088e-10 -10.031 -9.964 0.067 85.89
|
||||
MnCl3- 1.612e-11 1.069e-11 -10.793 -10.971 -0.178 45.79
|
||||
FeCl+2 1.519e-18 2.939e-19 -17.818 -18.532 -0.713 (0)
|
||||
FeCl+2 1.518e-18 2.939e-19 -17.819 -18.532 -0.713 (0)
|
||||
FeCl2+ 7.062e-19 4.684e-19 -18.151 -18.329 -0.178 (0)
|
||||
FeCl+ 7.392e-20 5.521e-20 -19.131 -19.258 -0.127 (0)
|
||||
FeCl+ 7.393e-20 5.521e-20 -19.131 -19.258 -0.127 (0)
|
||||
FeCl3 1.431e-20 1.671e-20 -19.844 -19.777 0.067 (0)
|
||||
Fe(2) 6.492e-19
|
||||
Fe+2 4.892e-19 1.121e-19 -18.311 -18.950 -0.640 -20.71
|
||||
FeCl+ 7.392e-20 5.521e-20 -19.131 -19.258 -0.127 (0)
|
||||
FeSO4 4.443e-20 5.190e-20 -19.352 -19.285 0.067 18.97
|
||||
FeCO3 1.796e-20 2.098e-20 -19.746 -19.678 0.067 (0)
|
||||
FeHCO3+ 1.505e-20 1.124e-20 -19.823 -19.949 -0.127 (0)
|
||||
FeOH+ 8.698e-21 5.768e-21 -20.061 -20.239 -0.178 (0)
|
||||
Fe(OH)2 6.840e-24 7.990e-24 -23.165 -23.097 0.067 (0)
|
||||
Fe(OH)3- 7.284e-26 4.831e-26 -25.138 -25.316 -0.178 (0)
|
||||
FeHSO4+ 2.753e-27 2.056e-27 -26.560 -26.687 -0.127 (0)
|
||||
Fe(2) 6.471e-19
|
||||
Fe+2 4.889e-19 1.121e-19 -18.311 -18.950 -0.640 -20.71
|
||||
FeCl+ 7.393e-20 5.521e-20 -19.131 -19.258 -0.127 (0)
|
||||
FeSO4 4.059e-20 4.740e-20 -19.392 -19.324 0.067 18.97
|
||||
FeCO3 1.902e-20 2.222e-20 -19.721 -19.653 0.067 (0)
|
||||
FeHCO3+ 1.593e-20 1.190e-20 -19.798 -19.924 -0.127 (0)
|
||||
FeOH+ 8.696e-21 5.768e-21 -20.061 -20.239 -0.178 (0)
|
||||
Fe(OH)2 6.840e-24 7.989e-24 -23.165 -23.098 0.067 (0)
|
||||
Fe(OH)3- 7.282e-26 4.830e-26 -25.138 -25.316 -0.178 (0)
|
||||
FeHSO4+ 2.514e-27 1.877e-27 -26.600 -26.726 -0.127 (0)
|
||||
Fe(3) 3.711e-08
|
||||
Fe(OH)3 2.771e-08 3.237e-08 -7.557 -7.490 0.067 (0)
|
||||
Fe(OH)4- 7.114e-09 4.804e-09 -8.148 -8.318 -0.171 (0)
|
||||
Fe(OH)2+ 2.287e-09 1.544e-09 -8.641 -8.811 -0.171 (0)
|
||||
FeOH+2 1.481e-13 2.866e-14 -12.829 -13.543 -0.713 (0)
|
||||
FeCl+2 1.519e-18 2.939e-19 -17.818 -18.532 -0.713 (0)
|
||||
FeSO4+ 1.174e-18 7.786e-19 -17.930 -18.109 -0.178 (0)
|
||||
Fe(OH)4- 7.113e-09 4.804e-09 -8.148 -8.318 -0.170 (0)
|
||||
Fe(OH)2+ 2.286e-09 1.544e-09 -8.641 -8.811 -0.170 (0)
|
||||
FeOH+2 1.480e-13 2.865e-14 -12.830 -13.543 -0.713 (0)
|
||||
FeCl+2 1.518e-18 2.939e-19 -17.819 -18.532 -0.713 (0)
|
||||
FeSO4+ 1.072e-18 7.111e-19 -17.970 -18.148 -0.178 (0)
|
||||
FeCl2+ 7.062e-19 4.684e-19 -18.151 -18.329 -0.178 (0)
|
||||
Fe+3 3.432e-19 2.727e-20 -18.464 -19.564 -1.100 (0)
|
||||
Fe(SO4)2- 5.939e-20 4.436e-20 -19.226 -19.353 -0.127 (0)
|
||||
Fe+3 3.430e-19 2.727e-20 -18.465 -19.564 -1.100 (0)
|
||||
Fe(SO4)2- 4.955e-20 3.700e-20 -19.305 -19.432 -0.127 (0)
|
||||
FeCl3 1.431e-20 1.671e-20 -19.844 -19.777 0.067 (0)
|
||||
Fe2(OH)2+4 2.359e-24 2.210e-26 -23.627 -25.656 -2.028 (0)
|
||||
FeHSO4+2 4.038e-26 1.256e-26 -25.394 -25.901 -0.507 (0)
|
||||
Fe3(OH)4+5 1.053e-29 7.130e-33 -28.978 -32.147 -3.169 (0)
|
||||
Fe2(OH)2+4 2.362e-24 2.210e-26 -23.627 -25.656 -2.029 (0)
|
||||
FeHSO4+2 3.689e-26 1.147e-26 -25.433 -25.940 -0.507 (0)
|
||||
Fe3(OH)4+5 1.055e-29 7.127e-33 -28.977 -32.147 -3.170 (0)
|
||||
H(0) 0.000e+00
|
||||
H2 0.000e+00 0.000e+00 -44.470 -44.402 0.067 28.61
|
||||
K 1.058e-02
|
||||
K+ 1.040e-02 6.483e-03 -1.983 -2.188 -0.205 9.66
|
||||
KSO4- 1.756e-04 1.186e-04 -3.755 -3.926 -0.171 34.85
|
||||
K+ 1.043e-02 6.501e-03 -1.982 -2.187 -0.205 9.66
|
||||
KSO4- 1.471e-04 5.683e-05 -3.832 -4.245 -0.413 32.21
|
||||
Mg 5.507e-02
|
||||
Mg+2 4.754e-02 1.372e-02 -1.323 -1.863 -0.540 -20.41
|
||||
MgSO4 7.170e-03 8.375e-03 -2.144 -2.077 0.067 5.84
|
||||
MgHCO3+ 2.560e-04 1.610e-04 -3.592 -3.793 -0.201 5.82
|
||||
MgCO3 8.747e-05 1.022e-04 -4.058 -3.991 0.067 -17.09
|
||||
MgOH+ 1.151e-05 8.107e-06 -4.939 -5.091 -0.152 (0)
|
||||
Mg+2 4.811e-02 1.389e-02 -1.318 -1.857 -0.540 -20.41
|
||||
MgSO4 6.339e-03 8.646e-03 -2.198 -2.063 0.135 -0.83
|
||||
MgHCO3+ 2.743e-04 1.725e-04 -3.562 -3.763 -0.201 5.82
|
||||
Mg(SO4)2-2 2.394e-04 6.773e-05 -3.621 -4.169 -0.548 48.54
|
||||
MgCO3 9.375e-05 1.095e-04 -4.028 -3.961 0.067 -17.09
|
||||
MgOH+ 1.164e-05 8.204e-06 -4.934 -5.086 -0.152 (0)
|
||||
Mn(2) 3.773e-09
|
||||
Mn+2 2.097e-09 4.806e-10 -8.678 -9.318 -0.640 -16.36
|
||||
MnCl+ 1.053e-09 6.985e-10 -8.977 -9.156 -0.178 -2.79
|
||||
MnCO3 2.550e-10 2.979e-10 -9.593 -9.526 0.067 (0)
|
||||
MnSO4 1.905e-10 2.225e-10 -9.720 -9.653 0.067 22.54
|
||||
MnCl2 9.314e-11 1.088e-10 -10.031 -9.963 0.067 85.89
|
||||
MnHCO3+ 6.475e-11 4.294e-11 -10.189 -10.367 -0.178 (0)
|
||||
Mn+2 2.095e-09 4.803e-10 -8.679 -9.318 -0.640 -16.36
|
||||
MnCl+ 1.053e-09 6.982e-10 -8.978 -9.156 -0.178 -2.79
|
||||
MnCO3 2.699e-10 3.153e-10 -9.569 -9.501 0.067 (0)
|
||||
MnSO4 1.739e-10 2.031e-10 -9.760 -9.692 0.067 22.54
|
||||
MnCl2 9.313e-11 1.088e-10 -10.031 -9.964 0.067 85.89
|
||||
MnHCO3+ 6.852e-11 4.545e-11 -10.164 -10.342 -0.178 (0)
|
||||
MnCl3- 1.612e-11 1.069e-11 -10.793 -10.971 -0.178 45.79
|
||||
MnOH+ 3.031e-12 2.010e-12 -11.518 -11.697 -0.178 (0)
|
||||
Mn(OH)3- 4.949e-20 3.282e-20 -19.305 -19.484 -0.178 (0)
|
||||
MnOH+ 3.029e-12 2.009e-12 -11.519 -11.697 -0.178 (0)
|
||||
Mn(OH)3- 4.946e-20 3.281e-20 -19.306 -19.484 -0.178 (0)
|
||||
Mn(NO3)2 1.325e-20 1.548e-20 -19.878 -19.810 0.067 41.04
|
||||
Mn(3) 5.279e-26
|
||||
Mn+3 5.279e-26 4.195e-27 -25.277 -26.377 -1.100 (0)
|
||||
Mn(3) 5.274e-26
|
||||
Mn+3 5.274e-26 4.193e-27 -25.278 -26.377 -1.100 (0)
|
||||
N(-3) 1.724e-06
|
||||
NH4+ 1.610e-06 9.048e-07 -5.793 -6.043 -0.250 18.44
|
||||
NH3 7.326e-08 8.557e-08 -7.135 -7.068 0.067 24.42
|
||||
NH4SO4- 4.064e-08 3.035e-08 -7.391 -7.518 -0.127 39.98
|
||||
NH4+ 1.597e-06 8.981e-07 -5.797 -6.047 -0.250 18.44
|
||||
NH3 7.272e-08 8.494e-08 -7.138 -7.071 0.067 24.42
|
||||
NH4SO4- 5.343e-08 2.752e-08 -7.272 -7.560 -0.288 40.39
|
||||
N(5) 4.847e-06
|
||||
NO3- 4.847e-06 2.844e-06 -5.314 -5.546 -0.232 30.29
|
||||
NO3- 4.847e-06 2.845e-06 -5.314 -5.546 -0.231 30.29
|
||||
Mn(NO3)2 1.325e-20 1.548e-20 -19.878 -19.810 0.067 41.04
|
||||
Na 4.854e-01
|
||||
Na+ 4.785e-01 3.434e-01 -0.320 -0.464 -0.144 -0.50
|
||||
NaSO4- 6.637e-03 4.482e-03 -2.178 -2.349 -0.171 21.21
|
||||
NaHCO3 1.658e-04 1.936e-04 -3.781 -3.713 0.067 1.80
|
||||
NaCO3- 6.682e-05 4.990e-05 -4.175 -4.302 -0.127 2.88
|
||||
NaOH 4.843e-17 5.657e-17 -16.315 -16.247 0.067 (0)
|
||||
O(0) 4.376e-04
|
||||
O2 2.188e-04 2.556e-04 -3.660 -3.592 0.067 30.40
|
||||
Na+ 4.769e-01 3.422e-01 -0.322 -0.466 -0.144 -0.50
|
||||
NaSO4- 8.339e-03 3.180e-03 -2.079 -2.498 -0.419 20.67
|
||||
NaHCO3 1.700e-04 2.429e-04 -3.770 -3.615 0.155 28.00
|
||||
NaOH 4.827e-17 5.637e-17 -16.316 -16.249 0.067 (0)
|
||||
O(0) 4.377e-04
|
||||
O2 2.189e-04 2.556e-04 -3.660 -3.592 0.067 30.40
|
||||
S(6) 2.926e-02
|
||||
SO4-2 1.432e-02 2.604e-03 -1.844 -2.584 -0.740 17.49
|
||||
MgSO4 7.170e-03 8.375e-03 -2.144 -2.077 0.067 5.84
|
||||
NaSO4- 6.637e-03 4.482e-03 -2.178 -2.349 -0.171 21.21
|
||||
CaSO4 9.548e-04 1.115e-03 -3.020 -2.953 0.067 7.50
|
||||
KSO4- 1.756e-04 1.186e-04 -3.755 -3.926 -0.171 34.85
|
||||
NH4SO4- 4.064e-08 3.035e-08 -7.391 -7.518 -0.127 39.98
|
||||
HSO4- 2.042e-09 1.525e-09 -8.690 -8.817 -0.127 40.96
|
||||
MnSO4 1.905e-10 2.225e-10 -9.720 -9.653 0.067 22.54
|
||||
CaHSO4+ 5.915e-11 4.418e-11 -10.228 -10.355 -0.127 (0)
|
||||
FeSO4+ 1.174e-18 7.786e-19 -17.930 -18.109 -0.178 (0)
|
||||
Fe(SO4)2- 5.939e-20 4.436e-20 -19.226 -19.353 -0.127 (0)
|
||||
FeSO4 4.443e-20 5.190e-20 -19.352 -19.285 0.067 18.97
|
||||
FeHSO4+2 4.038e-26 1.256e-26 -25.394 -25.901 -0.507 (0)
|
||||
FeHSO4+ 2.753e-27 2.056e-27 -26.560 -26.687 -0.127 (0)
|
||||
SO4-2 1.307e-02 2.378e-03 -1.884 -2.624 -0.740 17.77
|
||||
NaSO4- 8.339e-03 3.180e-03 -2.079 -2.498 -0.419 20.67
|
||||
MgSO4 6.339e-03 8.646e-03 -2.198 -2.063 0.135 -0.83
|
||||
CaSO4 8.788e-04 1.026e-03 -3.056 -2.989 0.067 7.50
|
||||
Mg(SO4)2-2 2.394e-04 6.773e-05 -3.621 -4.169 -0.548 48.54
|
||||
KSO4- 1.471e-04 5.683e-05 -3.832 -4.245 -0.413 32.21
|
||||
NH4SO4- 5.343e-08 2.752e-08 -7.272 -7.560 -0.288 40.39
|
||||
HSO4- 1.866e-09 1.393e-09 -8.729 -8.856 -0.127 40.96
|
||||
MnSO4 1.739e-10 2.031e-10 -9.760 -9.692 0.067 22.54
|
||||
CaHSO4+ 5.444e-11 4.065e-11 -10.264 -10.391 -0.127 (0)
|
||||
FeSO4+ 1.072e-18 7.111e-19 -17.970 -18.148 -0.178 (0)
|
||||
Fe(SO4)2- 4.955e-20 3.700e-20 -19.305 -19.432 -0.127 (0)
|
||||
FeSO4 4.059e-20 4.740e-20 -19.392 -19.324 0.067 18.97
|
||||
FeHSO4+2 3.689e-26 1.147e-26 -25.433 -25.940 -0.507 (0)
|
||||
FeHSO4+ 2.514e-27 1.877e-27 -26.600 -26.726 -0.127 (0)
|
||||
Si 7.382e-05
|
||||
H4SiO4 7.061e-05 8.248e-05 -4.151 -4.084 0.067 52.08
|
||||
H3SiO4- 3.210e-06 2.018e-06 -5.494 -5.695 -0.201 28.72
|
||||
H2SiO4-2 1.096e-10 2.279e-11 -9.960 -10.642 -0.682 (0)
|
||||
U(4) 1.088e-21
|
||||
U(OH)5- 1.088e-21 8.128e-22 -20.963 -21.090 -0.127 (0)
|
||||
U(OH)4 1.738e-25 2.030e-25 -24.760 -24.692 0.067 (0)
|
||||
U+4 0.000e+00 0.000e+00 -46.972 -49.000 -2.028 (0)
|
||||
U(5) 1.707e-18
|
||||
UO2+ 1.707e-18 1.275e-18 -17.768 -17.894 -0.127 (0)
|
||||
H4SiO4 7.061e-05 8.247e-05 -4.151 -4.084 0.067 52.08
|
||||
H3SiO4- 3.209e-06 2.018e-06 -5.494 -5.695 -0.201 28.72
|
||||
H2SiO4-2 1.095e-10 2.278e-11 -9.961 -10.642 -0.682 (0)
|
||||
U(4) 9.204e-22
|
||||
U(OH)5- 9.202e-22 6.872e-22 -21.036 -21.163 -0.127 (0)
|
||||
U(OH)4 1.470e-25 1.716e-25 -24.833 -24.765 0.067 (0)
|
||||
U+4 0.000e+00 0.000e+00 -47.044 -49.073 -2.029 (0)
|
||||
U(5) 1.445e-18
|
||||
UO2+ 1.445e-18 1.079e-18 -17.840 -17.967 -0.127 (0)
|
||||
U(6) 1.437e-08
|
||||
UO2(CO3)3-4 1.252e-08 1.173e-10 -7.902 -9.931 -2.028 (0)
|
||||
UO2(CO3)2-2 1.837e-09 5.716e-10 -8.736 -9.243 -0.507 (0)
|
||||
UO2CO3 7.662e-12 8.950e-12 -11.116 -11.048 0.067 (0)
|
||||
UO2OH+ 3.563e-14 2.661e-14 -13.448 -13.575 -0.127 (0)
|
||||
UO2+2 3.182e-16 9.898e-17 -15.497 -16.004 -0.507 (0)
|
||||
(UO2)2(OH)2+2 1.973e-21 6.139e-22 -20.705 -21.212 -0.507 (0)
|
||||
(UO2)3(OH)5+ 3.387e-23 2.530e-23 -22.470 -22.597 -0.127 (0)
|
||||
UO2(CO3)3-4 1.262e-08 1.180e-10 -7.899 -9.928 -2.029 (0)
|
||||
UO2(CO3)2-2 1.746e-09 5.430e-10 -8.758 -9.265 -0.507 (0)
|
||||
UO2CO3 6.874e-12 8.028e-12 -11.163 -11.095 0.067 (0)
|
||||
UO2OH+ 3.018e-14 2.254e-14 -13.520 -13.647 -0.127 (0)
|
||||
UO2+2 2.696e-16 8.384e-17 -15.569 -16.077 -0.507 (0)
|
||||
(UO2)2(OH)2+2 1.416e-21 4.405e-22 -20.849 -21.356 -0.507 (0)
|
||||
(UO2)3(OH)5+ 2.059e-23 1.538e-23 -22.686 -22.813 -0.127 (0)
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
|
||||
Phase SI** log IAP log K(298 K, 1 atm)
|
||||
|
||||
Anhydrite -0.93 -5.20 -4.28 CaSO4
|
||||
Aragonite 0.61 -7.73 -8.34 CaCO3
|
||||
Calcite 0.75 -7.73 -8.48 CaCO3
|
||||
Anhydrite -0.96 -5.24 -4.28 CaSO4
|
||||
Aragonite 0.64 -7.70 -8.34 CaCO3
|
||||
Arcanite -5.12 -7.00 -1.88 K2SO4
|
||||
Calcite 0.78 -7.70 -8.48 CaCO3
|
||||
Chalcedony -0.52 -4.07 -3.55 SiO2
|
||||
Chrysotile 3.36 35.56 32.20 Mg3Si2O5(OH)4
|
||||
CO2(g) -3.39 -4.86 -1.47 CO2
|
||||
Dolomite 2.39 -14.70 -17.09 CaMg(CO3)2
|
||||
Chrysotile 3.37 35.57 32.20 Mg3Si2O5(OH)4
|
||||
CO2(g) -3.37 -4.83 -1.47 CO2
|
||||
Dolomite 2.45 -14.64 -17.08 CaMg(CO3)2
|
||||
Epsomite -2.80 -4.54 -1.74 MgSO4:7H2O
|
||||
Fe(OH)3(a) 0.18 5.07 4.89 Fe(OH)3
|
||||
Goethite 6.08 5.08 -1.00 FeOOH
|
||||
Gypsum -0.64 -5.22 -4.58 CaSO4:2H2O
|
||||
Gypsum -0.67 -5.26 -4.58 CaSO4:2H2O
|
||||
H2(g) -41.30 -44.40 -3.10 H2
|
||||
H2O(g) -1.51 -0.01 1.50 H2O
|
||||
Halite -2.48 -0.91 1.57 NaCl
|
||||
Hausmannite 1.55 62.58 61.03 Mn3O4
|
||||
Hematite 14.17 10.17 -4.01 Fe2O3
|
||||
Jarosite-K -7.57 -16.78 -9.21 KFe3(SO4)2(OH)6
|
||||
Hexahydrite -2.97 -4.53 -1.57 MgSO4:6H2O
|
||||
Jarosite-K -7.65 -16.86 -9.21 KFe3(SO4)2(OH)6
|
||||
Kieserite -3.33 -4.49 -1.16 MgSO4:H2O
|
||||
Manganite 2.39 27.73 25.34 MnOOH
|
||||
Melanterite -19.39 -21.59 -2.21 FeSO4:7H2O
|
||||
NH3(g) -8.86 -7.07 1.80 NH3
|
||||
Melanterite -19.42 -21.63 -2.21 FeSO4:7H2O
|
||||
Mirabilite -2.40 -3.64 -1.24 Na2SO4:10H2O
|
||||
NH3(g) -8.87 -7.07 1.80 NH3
|
||||
O2(g) -0.70 -3.59 -2.89 O2 Pressure 0.2 atm, phi 1.000
|
||||
Pyrochroite -8.10 7.10 15.20 Mn(OH)2
|
||||
Pyrolusite 6.97 48.35 41.38 MnO2:H2O
|
||||
Quartz -0.09 -4.07 -3.98 SiO2
|
||||
Rhodochrosite -3.30 -14.43 -11.13 MnCO3
|
||||
Sepiolite 1.15 16.91 15.76 Mg2Si3O7.5OH:3H2O
|
||||
Sepiolite(d) -1.75 16.91 18.66 Mg2Si3O7.5OH:3H2O
|
||||
Siderite -13.17 -24.06 -10.89 FeCO3
|
||||
Rhodochrosite -3.27 -14.40 -11.13 MnCO3
|
||||
Sepiolite 1.16 16.92 15.76 Mg2Si3O7.5OH:3H2O
|
||||
Sepiolite(d) -1.74 16.92 18.66 Mg2Si3O7.5OH:3H2O
|
||||
Siderite -13.14 -24.03 -10.89 FeCO3
|
||||
SiO2(a) -1.35 -4.07 -2.71 SiO2
|
||||
Sylvite -3.54 -2.64 0.90 KCl
|
||||
Talc 6.03 27.43 21.40 Mg3Si4O10(OH)2
|
||||
Uraninite -12.65 -16.14 -3.49 UO2
|
||||
Sylvite -3.53 -2.63 0.90 KCl
|
||||
Talc 6.05 27.45 21.40 Mg3Si4O10(OH)2
|
||||
Thenardite -3.25 -3.56 -0.30 Na2SO4
|
||||
Uraninite -12.72 -16.21 -3.49 UO2
|
||||
|
||||
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
||||
For ideal gases, phi = 1.
|
||||
@ -328,7 +336,3 @@ End of simulation.
|
||||
Reading input data for simulation 2.
|
||||
------------------------------------
|
||||
|
||||
-------------------------------
|
||||
End of Run after 0.015 Seconds.
|
||||
-------------------------------
|
||||
|
||||
|
||||
File diff suppressed because it is too large
Load Diff
File diff suppressed because it is too large
Load Diff
@ -59,17 +59,16 @@ Initial solution 0. CaCl2
|
||||
|
||||
pH = 6.995 Charge balance
|
||||
pe = 13.632 Equilibrium with O2(g)
|
||||
Specific Conductance (µS/cm, 25°C) = 152
|
||||
Density (g/cm³) = 0.99710
|
||||
Specific Conductance (µS/cm, 25°C) = 152
|
||||
Density (g/cm³) = 0.99710
|
||||
Volume (L) = 1.00298
|
||||
Viscosity (mPa s) = 0.89067
|
||||
Activity of water = 1.000
|
||||
Ionic strength (mol/kgw) = 1.800e-03
|
||||
Mass of water (kg) = 1.000e+00
|
||||
Total alkalinity (eq/kg) = 6.950e-20
|
||||
Total carbon (mol/kg) = 0.000e+00
|
||||
Total CO2 (mol/kg) = 0.000e+00
|
||||
Temperature (°C) = 25.00
|
||||
Electrical balance (eq) = 4.519e-18
|
||||
Total alkalinity (eq/kg) = 2.687e-21
|
||||
Temperature (°C) = 25.00
|
||||
Electrical balance (eq) = 4.260e-18
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
||||
Iterations = 4
|
||||
Total H = 1.110124e+02
|
||||
@ -78,16 +77,17 @@ Initial solution 0. CaCl2
|
||||
----------------------------Distribution of species----------------------------
|
||||
|
||||
Log Log Log mole V
|
||||
Species Molality Activity Molality Activity Gamma cm³/mol
|
||||
Species Molality Activity Molality Activity Gamma cm³/mol
|
||||
|
||||
H+ 1.058e-07 1.012e-07 -6.976 -6.995 -0.019 0.00
|
||||
OH- 1.049e-07 1.000e-07 -6.979 -7.000 -0.021 -4.10
|
||||
H+ 1.057e-07 1.012e-07 -6.976 -6.995 -0.019 0.00
|
||||
OH- 1.049e-07 1.001e-07 -6.979 -7.000 -0.021 -4.10
|
||||
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
|
||||
Ca 6.000e-04
|
||||
Ca+2 6.000e-04 4.983e-04 -3.222 -3.302 -0.081 -18.10
|
||||
CaOH+ 8.569e-10 8.174e-10 -9.067 -9.088 -0.020 (0)
|
||||
CaOH+ 8.570e-10 8.175e-10 -9.067 -9.087 -0.020 (0)
|
||||
Cl 1.200e-03
|
||||
Cl- 1.200e-03 1.144e-03 -2.921 -2.941 -0.021 18.08
|
||||
HCl 3.981e-11 3.988e-11 -10.400 -10.399 0.001 (0)
|
||||
H(0) 0.000e+00
|
||||
H2 0.000e+00 0.000e+00 -44.404 -44.404 0.000 28.61
|
||||
O(0) 5.351e-04
|
||||
@ -118,26 +118,25 @@ Initial solution 1. Initial solution for column
|
||||
|
||||
pH = 6.997 Charge balance
|
||||
pe = 13.630 Equilibrium with O2(g)
|
||||
Specific Conductance (µS/cm, 25°C) = 145
|
||||
Density (g/cm³) = 0.99711
|
||||
Specific Conductance (µS/cm, 25°C) = 145
|
||||
Density (g/cm³) = 0.99711
|
||||
Volume (L) = 1.00301
|
||||
Viscosity (mPa s) = 0.89020
|
||||
Activity of water = 1.000
|
||||
Ionic strength (mol/kgw) = 1.200e-03
|
||||
Mass of water (kg) = 1.000e+00
|
||||
Total alkalinity (eq/kg) = -9.247e-19
|
||||
Total carbon (mol/kg) = 0.000e+00
|
||||
Total CO2 (mol/kg) = 0.000e+00
|
||||
Temperature (°C) = 25.00
|
||||
Temperature (°C) = 25.00
|
||||
Electrical balance (eq) = -9.243e-17
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
|
||||
Iterations = 3
|
||||
Iterations = 3 (7 overall)
|
||||
Total H = 1.110124e+02
|
||||
Total O = 5.551035e+01
|
||||
|
||||
----------------------------Distribution of species----------------------------
|
||||
|
||||
Log Log Log mole V
|
||||
Species Molality Activity Molality Activity Gamma cm³/mol
|
||||
Species Molality Activity Molality Activity Gamma cm³/mol
|
||||
|
||||
H+ 1.045e-07 1.007e-07 -6.981 -6.997 -0.016 0.00
|
||||
OH- 1.045e-07 1.005e-07 -6.981 -6.998 -0.017 -4.10
|
||||
@ -211,7 +210,7 @@ Reading input data for simulation 3.
|
||||
reset false
|
||||
WARNING: Cell-lengths were read for 1 cells. Last value is used till cell 40.
|
||||
WARNING: Dispersivities were read for 1 cells. Last value is used till cell 40.
|
||||
-------------------------------
|
||||
End of Run after 1.969 Seconds.
|
||||
-------------------------------
|
||||
WARNING:
|
||||
Calculating transport: 40 (mobile) cells, 100 shifts, 4 mixruns...
|
||||
|
||||
|
||||
|
||||
@ -52,51 +52,51 @@
|
||||
50 9.689960048286e-04 1.051253532901e-03 2.310039951582e-04 0.000000000000e+00 1.262500000000e+00
|
||||
51 9.549633447245e-04 1.071800523379e-03 2.450366552621e-04 0.000000000000e+00 1.287500000000e+00
|
||||
52 9.356347670799e-04 1.089900980030e-03 2.643652329064e-04 0.000000000000e+00 1.312500000000e+00
|
||||
53 9.097384638239e-04 1.105766147280e-03 2.902615361621e-04 0.000000000000e+00 1.337500000000e+00
|
||||
54 8.761960899973e-04 1.119606249493e-03 3.238039099883e-04 0.000000000000e+00 1.362500000000e+00
|
||||
55 8.344533301406e-04 1.131625845338e-03 3.655466698447e-04 0.000000000000e+00 1.387500000000e+00
|
||||
56 7.847919650473e-04 1.142020362046e-03 4.152080349376e-04 0.000000000000e+00 1.412500000000e+00
|
||||
57 7.284538372957e-04 1.150973656035e-03 4.715461626889e-04 3.531139638933e-28 1.437500000000e+00
|
||||
58 6.674661295228e-04 1.158656441394e-03 5.325338704614e-04 4.216133165437e-26 1.462500000000e+00
|
||||
59 6.042301758575e-04 1.165225432017e-03 5.957698241264e-04 2.112623923727e-24 1.487500000000e+00
|
||||
60 5.410707042899e-04 1.170823053924e-03 6.589292956936e-04 9.154192216180e-23 1.512500000000e+00
|
||||
61 4.799177066703e-04 1.175577598780e-03 7.200822933128e-04 3.514353862126e-21 1.537500000000e+00
|
||||
62 4.221746364517e-04 1.179603706072e-03 7.778253635310e-04 1.207213751775e-19 1.562500000000e+00
|
||||
63 3.687296865687e-04 1.183003078326e-03 8.312703134136e-04 3.694071260171e-18 1.587500000000e+00
|
||||
64 3.200378094464e-04 1.185865350144e-03 8.799621905353e-04 1.035721722426e-16 1.612500000000e+00
|
||||
65 2.762284431581e-04 1.188269047043e-03 9.237715568180e-04 2.657316482822e-15 1.637500000000e+00
|
||||
66 2.371960440987e-04 1.190282583742e-03 9.628039557569e-04 6.272120668585e-14 1.662500000000e+00
|
||||
67 2.026802660674e-04 1.191965263410e-03 9.973197311050e-04 1.404108204584e-12 1.687500000000e+00
|
||||
68 1.723175379751e-04 1.193368249525e-03 1.027682402586e-03 2.970943174902e-11 1.712500000000e+00
|
||||
69 1.456986526363e-04 1.194535490349e-03 1.054300174205e-03 5.865691826211e-10 1.737500000000e+00
|
||||
70 1.223834694922e-04 1.195504582884e-03 1.077593516928e-03 1.150677987307e-08 1.762500000000e+00
|
||||
71 1.019262303182e-04 1.196307568531e-03 1.097657241061e-03 2.082643004041e-07 1.787500000000e+00
|
||||
72 8.381480436918e-05 1.196971656899e-03 1.109525476379e-03 3.329859615687e-06 1.812500000000e+00
|
||||
73 6.668225222814e-05 1.197519877322e-03 1.024937206814e-03 5.419027046984e-05 1.837500000000e+00
|
||||
74 5.053198367602e-05 1.197971659937e-03 7.350507107170e-04 2.072086527979e-04 1.862500000000e+00
|
||||
75 3.879701357378e-05 1.198343349753e-03 5.356918142764e-04 3.127555860714e-04 1.887500000000e+00
|
||||
76 3.007678322702e-05 1.198648658204e-03 4.021188008050e-04 3.839022079816e-04 1.912500000000e+00
|
||||
77 2.344463549462e-05 1.198899057198e-03 3.068522371353e-04 4.348515636834e-04 1.937500000000e+00
|
||||
78 1.834047972287e-05 1.199104120994e-03 2.366187847883e-04 4.725203677434e-04 1.962500000000e+00
|
||||
79 1.438416333564e-05 1.199271821253e-03 1.838015689026e-04 5.009071338802e-04 1.987500000000e+00
|
||||
80 1.130287552739e-05 1.199408780438e-03 1.435541337098e-04 5.225714953810e-04 2.012500000000e+00
|
||||
81 8.894854153962e-06 1.199520488471e-03 1.125953626029e-04 5.392548916213e-04 2.037500000000e+00
|
||||
82 7.008145850693e-06 1.199611487223e-03 8.861328634916e-05 5.521892839000e-04 2.062500000000e+00
|
||||
83 5.526939767786e-06 1.199685527006e-03 6.993373976925e-05 5.622696602315e-04 2.087500000000e+00
|
||||
84 4.362237388587e-06 1.199745698858e-03 5.532050326413e-05 5.701586296738e-04 2.112500000000e+00
|
||||
85 3.445231625545e-06 1.199794545991e-03 4.384740221973e-05 5.763536830775e-04 2.137500000000e+00
|
||||
86 2.722483623453e-06 1.199834157394e-03 3.481279241042e-05 5.812323619841e-04 2.162500000000e+00
|
||||
87 2.152343734104e-06 1.199866246233e-03 2.768046311988e-05 5.850835965738e-04 2.187500000000e+00
|
||||
88 1.702259901960e-06 1.199892215323e-03 2.203774543465e-05 5.881299973329e-04 2.212500000000e+00
|
||||
89 1.346733078573e-06 1.199913211686e-03 1.756522033577e-05 5.905440232939e-04 2.237500000000e+00
|
||||
90 1.065752199265e-06 1.199930171882e-03 1.401446577203e-05 5.924598910153e-04 2.262500000000e+00
|
||||
91 8.435890597541e-07 1.199943859609e-03 1.119149963090e-05 5.939824556558e-04 2.287500000000e+00
|
||||
92 6.678659094570e-07 1.199954896813e-03 8.944331672510e-06 5.951939012101e-04 2.312500000000e+00
|
||||
93 5.288312745831e-07 1.199963789378e-03 7.153523667569e-06 5.961588225299e-04 2.337500000000e+00
|
||||
94 4.187957414297e-07 1.199970948302e-03 5.724978920851e-06 5.969281126697e-04 2.362500000000e+00
|
||||
95 3.316912256301e-07 1.199976707113e-03 4.584400974209e-06 5.975419539008e-04 2.387500000000e+00
|
||||
96 2.627259549669e-07 1.199981336185e-03 3.673012861141e-06 5.980321305926e-04 2.412500000000e+00
|
||||
97 2.081138874062e-07 1.199985054463e-03 2.944235324056e-06 5.984238253949e-04 2.437500000000e+00
|
||||
98 1.648621779906e-07 1.199988039067e-03 2.361099156762e-06 5.987370193332e-04 2.462500000000e+00
|
||||
99 1.306040218668e-07 1.199990433149e-03 1.894222603771e-06 5.989875866877e-04 2.487500000000e+00
|
||||
100 1.034670378707e-07 1.199992352295e-03 1.520225735774e-06 5.991881536137e-04 2.512500000000e+00
|
||||
53 9.097384638238e-04 1.105766147280e-03 2.902615361621e-04 0.000000000000e+00 1.337500000000e+00
|
||||
54 8.761960899973e-04 1.119606249493e-03 3.238039099884e-04 0.000000000000e+00 1.362500000000e+00
|
||||
55 8.344533301405e-04 1.131625845338e-03 3.655466698448e-04 0.000000000000e+00 1.387500000000e+00
|
||||
56 7.847919650473e-04 1.142020362046e-03 4.152080349377e-04 0.000000000000e+00 1.412500000000e+00
|
||||
57 7.284538372956e-04 1.150973656035e-03 4.715461626890e-04 3.531139650447e-28 1.437500000000e+00
|
||||
58 6.674661295227e-04 1.158656441394e-03 5.325338704615e-04 4.216133178628e-26 1.462500000000e+00
|
||||
59 6.042301758574e-04 1.165225432017e-03 5.957698241264e-04 2.112623929983e-24 1.487500000000e+00
|
||||
60 5.410707042898e-04 1.170823053924e-03 6.589292956936e-04 9.154192241727e-23 1.512500000000e+00
|
||||
61 4.799177066702e-04 1.175577598780e-03 7.200822933128e-04 3.514353871319e-21 1.537500000000e+00
|
||||
62 4.221746364517e-04 1.179603706072e-03 7.778253635310e-04 1.207213754715e-19 1.562500000000e+00
|
||||
63 3.687296865687e-04 1.183003078326e-03 8.312703134136e-04 3.694071268522e-18 1.587500000000e+00
|
||||
64 3.200378094464e-04 1.185865350144e-03 8.799621905353e-04 1.035721724574e-16 1.612500000000e+00
|
||||
65 2.762284431581e-04 1.188269047043e-03 9.237715568181e-04 2.657316487854e-15 1.637500000000e+00
|
||||
66 2.371960440987e-04 1.190282583742e-03 9.628039557569e-04 6.272120679345e-14 1.662500000000e+00
|
||||
67 2.026802660674e-04 1.191965263410e-03 9.973197311050e-04 1.404108206719e-12 1.687500000000e+00
|
||||
68 1.723175379750e-04 1.193368249525e-03 1.027682402586e-03 2.970943178905e-11 1.712500000000e+00
|
||||
69 1.456986526363e-04 1.194535490349e-03 1.054300174205e-03 5.865691832992e-10 1.737500000000e+00
|
||||
70 1.223834694922e-04 1.195504582884e-03 1.077593516928e-03 1.150677988409e-08 1.762500000000e+00
|
||||
71 1.019262303181e-04 1.196307568531e-03 1.097657241060e-03 2.082643005687e-07 1.787500000000e+00
|
||||
72 8.381480436901e-05 1.196971656899e-03 1.109525476375e-03 3.329859617620e-06 1.812500000000e+00
|
||||
73 6.668225222763e-05 1.197519877322e-03 1.024937206780e-03 5.419027048699e-05 1.837500000000e+00
|
||||
74 5.053198367588e-05 1.197971659937e-03 7.350507107017e-04 2.072086528056e-04 1.862500000000e+00
|
||||
75 3.879701357384e-05 1.198343349753e-03 5.356918142740e-04 3.127555860725e-04 1.887500000000e+00
|
||||
76 3.007678322714e-05 1.198648658204e-03 4.021188008075e-04 3.839022079803e-04 1.912500000000e+00
|
||||
77 2.344463549477e-05 1.198899057198e-03 3.068522371398e-04 4.348515636811e-04 1.937500000000e+00
|
||||
78 1.834047972303e-05 1.199104120994e-03 2.366187847935e-04 4.725203677407e-04 1.962500000000e+00
|
||||
79 1.438416333579e-05 1.199271821253e-03 1.838015689079e-04 5.009071338775e-04 1.987500000000e+00
|
||||
80 1.130287552752e-05 1.199408780438e-03 1.435541337147e-04 5.225714953785e-04 2.012500000000e+00
|
||||
81 8.894854154079e-06 1.199520488471e-03 1.125953626074e-04 5.392548916190e-04 2.037500000000e+00
|
||||
82 7.008145850795e-06 1.199611487223e-03 8.861328635320e-05 5.521892838979e-04 2.062500000000e+00
|
||||
83 5.526939767874e-06 1.199685527006e-03 6.993373977280e-05 5.622696602297e-04 2.087500000000e+00
|
||||
84 4.362237388662e-06 1.199745698858e-03 5.532050326723e-05 5.701586296722e-04 2.112500000000e+00
|
||||
85 3.445231625609e-06 1.199794545991e-03 4.384740222240e-05 5.763536830762e-04 2.137500000000e+00
|
||||
86 2.722483623507e-06 1.199834157394e-03 3.481279241271e-05 5.812323619830e-04 2.162500000000e+00
|
||||
87 2.152343734149e-06 1.199866246233e-03 2.768046312183e-05 5.850835965728e-04 2.187500000000e+00
|
||||
88 1.702259901998e-06 1.199892215323e-03 2.203774543631e-05 5.881299973321e-04 2.212500000000e+00
|
||||
89 1.346733078605e-06 1.199913211686e-03 1.756522033718e-05 5.905440232932e-04 2.237500000000e+00
|
||||
90 1.065752199291e-06 1.199930171882e-03 1.401446577322e-05 5.924598910147e-04 2.262500000000e+00
|
||||
91 8.435890597760e-07 1.199943859609e-03 1.119149963190e-05 5.939824556553e-04 2.287500000000e+00
|
||||
92 6.678659094751e-07 1.199954896813e-03 8.944331673348e-06 5.951939012097e-04 2.312500000000e+00
|
||||
93 5.288312745980e-07 1.199963789378e-03 7.153523668271e-06 5.961588225295e-04 2.337500000000e+00
|
||||
94 4.187957414419e-07 1.199970948302e-03 5.724978921438e-06 5.969281126694e-04 2.362500000000e+00
|
||||
95 3.316912256402e-07 1.199976707113e-03 4.584400974699e-06 5.975419539006e-04 2.387500000000e+00
|
||||
96 2.627259549752e-07 1.199981336185e-03 3.673012861550e-06 5.980321305924e-04 2.412500000000e+00
|
||||
97 2.081138874130e-07 1.199985054463e-03 2.944235324396e-06 5.984238253947e-04 2.437500000000e+00
|
||||
98 1.648621779962e-07 1.199988039067e-03 2.361099157045e-06 5.987370193330e-04 2.462500000000e+00
|
||||
99 1.306040218714e-07 1.199990433149e-03 1.894222604006e-06 5.989875866876e-04 2.487500000000e+00
|
||||
100 1.034670378744e-07 1.199992352295e-03 1.520225735969e-06 5.991881536136e-04 2.512500000000e+00
|
||||
|
||||
@ -52,7 +52,11 @@ Reading input data for simulation 1.
|
||||
reset false
|
||||
WARNING: Cell-lengths were read for 1 cells. Last value is used till cell 60.
|
||||
WARNING: Dispersivities were read for 1 cells. Last value is used till cell 60.
|
||||
-------------------------------
|
||||
End of Run after 0.695 Seconds.
|
||||
-------------------------------
|
||||
WARNING:
|
||||
Calculating transport: 60 (mobile) cells, 60 shifts, 0 mixruns...
|
||||
|
||||
|
||||
WARNING:
|
||||
Calculating transport: 60 (mobile) cells, 1 shifts, 122 mixruns...
|
||||
|
||||
|
||||
|
||||
@ -2,7 +2,8 @@
|
||||
-99 2.400000000000e+01 2.400000000000e+01 0.000000000000e+00 2.400000000000e+01
|
||||
-99 2.400000000000e+01 2.400000000000e+01 0.000000000000e+00 2.400000000000e+01
|
||||
-99 2.400000000000e+01 2.400000000000e+01 0.000000000000e+00 2.400000000000e+01
|
||||
0.166667 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
|
||||
0 2.400000000000e+01 2.400000000001e+01 0.000000000000e+00 2.400000000001e+01
|
||||
0.166666 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
|
||||
0.499999 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
|
||||
0.833333 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
|
||||
1.16667 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
|
||||
@ -62,63 +63,64 @@
|
||||
19.1666 2.400000000000e+01 2.400000000000e+01 0.000000000000e+00 2.400000000000e+01
|
||||
19.5 2.400000000000e+01 2.400000000000e+01 0.000000000000e+00 2.400000000000e+01
|
||||
19.8333 2.400000000000e+01 2.400000000000e+01 0.000000000000e+00 2.400000000000e+01
|
||||
0.166667 2.173421535788e+01 2.173403615954e+01 2.265963837557e+00 2.269804797034e+01
|
||||
0.499999 1.732877881413e+01 1.732819001088e+01 6.671809981458e+00 2.011807085414e+01
|
||||
0.833333 1.328084086748e+01 1.327978568454e+01 1.072021430460e+01 1.760856603206e+01
|
||||
1.16667 9.764795286473e+00 9.763307030582e+00 1.423669295686e+01 1.521227157408e+01
|
||||
1.5 6.876991640216e+00 6.875215357905e+00 1.712478462910e+01 1.296595961052e+01
|
||||
1.83333 4.633455928133e+00 4.631602980051e+00 1.936839700749e+01 1.089879733964e+01
|
||||
2.16666 2.983966658034e+00 2.982242889567e+00 2.101775709912e+01 9.031344427786e+00
|
||||
2.5 1.835677067050e+00 1.834226374342e+00 2.216577361582e+01 7.375229710913e+00
|
||||
2.83333 1.078314727713e+00 1.077198297068e+00 2.292280169465e+01 5.933476222847e+00
|
||||
3.16666 6.047305557783e-01 6.039382767880e-01 2.339606171644e+01 4.701379781822e+00
|
||||
3.5 3.237709470080e-01 3.232490525611e-01 2.367675094204e+01 3.667800399955e+00
|
||||
3.83333 1.655104664086e-01 1.651896627990e-01 2.383481033299e+01 2.816701882845e+00
|
||||
4.16666 8.080257204240e-02 8.061777229689e-02 2.391938222449e+01 2.128773573946e+00
|
||||
4.5 3.768568646672e-02 3.758557520644e-02 2.396241442239e+01 1.582986272154e+00
|
||||
4.83333 1.679767756894e-02 1.674652868444e-02 2.398325346955e+01 1.157966472263e+00
|
||||
5.16666 7.158752063679e-03 7.134045500715e-03 2.399286595323e+01 8.331126368302e-01
|
||||
5.49999 2.918449214332e-03 2.907143229927e-03 2.399709285587e+01 5.894176946330e-01
|
||||
5.83333 1.138722696040e-03 1.133812460274e-03 2.399886618691e+01 4.099979928623e-01
|
||||
6.16666 4.254688736287e-04 4.234417524551e-04 2.399957655782e+01 2.803568840130e-01
|
||||
6.49999 1.523139982618e-04 1.515173752161e-04 2.399984848234e+01 1.884293356575e-01
|
||||
6.83333 5.227267557720e-05 5.197429168579e-05 2.399994802552e+01 1.244625136586e-01
|
||||
7.16666 1.720732480116e-05 1.710067686693e-05 2.399998289920e+01 8.078763518550e-02
|
||||
7.49999 5.436192373459e-06 5.399780020706e-06 2.399999460014e+01 5.153271367857e-02
|
||||
7.83333 1.649130959657e-06 1.637243353841e-06 2.399999836271e+01 3.231654723820e-02
|
||||
8.16666 4.806491381349e-07 4.769347036498e-07 2.399999952304e+01 1.995365519989e-02
|
||||
8.49999 1.346725366297e-07 1.335606226384e-07 2.399999986642e+01 1.218958904341e-02
|
||||
8.83332 3.634765898121e-08 3.602792250397e-08 2.399999996396e+01 7.477287156792e-03
|
||||
9.16666 9.688623034758e-09 9.597781456108e-09 2.399999999040e+01 4.798487471579e-03
|
||||
9.49999 3.521368975345e-09 3.486221174468e-09 2.399999999651e+01 3.529761278079e-03
|
||||
9.83332 5.266906600210e-09 5.215747970437e-09 2.399999999478e+01 3.350250042338e-03
|
||||
10.1667 1.826871464229e-08 1.810246493761e-08 2.399999998189e+01 4.187235209478e-03
|
||||
10.5 6.734356349056e-08 6.676736728795e-08 2.399999993323e+01 6.195716015130e-03
|
||||
10.8333 2.402639314420e-07 2.383343475316e-07 2.399999976165e+01 9.768664014259e-03
|
||||
11.1667 8.242843018529e-07 8.180891310040e-07 2.399999918189e+01 1.557505013667e-02
|
||||
11.5 2.716922549622e-06 2.697877300163e-06 2.399999730209e+01 2.462264894765e-02
|
||||
11.8333 8.598959192629e-06 8.542946913445e-06 2.399999145700e+01 3.834165440595e-02
|
||||
12.1667 2.611819663843e-05 2.596074280433e-05 2.399997403917e+01 5.868305693760e-02
|
||||
12.5 7.608967015818e-05 7.566701745557e-05 2.399992433285e+01 8.822247450201e-02
|
||||
12.8333 2.124941138159e-04 2.114118449108e-04 2.399978858796e+01 1.302558794738e-01
|
||||
13.1667 5.685367828663e-04 5.658959587642e-04 2.399943410375e+01 1.888688939345e-01
|
||||
13.5 1.456506511045e-03 1.450373187812e-03 2.399854962640e+01 2.689568433456e-01
|
||||
13.8333 3.570772369452e-03 3.557230846941e-03 2.399644276858e+01 3.761696764504e-01
|
||||
14.1667 8.372702446682e-03 8.344318209058e-03 2.399165568100e+01 5.167554989993e-01
|
||||
14.5 1.876668623423e-02 1.871028306249e-02 2.398128971588e+01 6.972801618698e-01
|
||||
14.8333 4.018855158439e-02 4.008246069508e-02 2.395991753791e+01 9.242091443387e-01
|
||||
15.1667 8.218587185627e-02 8.199729506133e-02 2.391800270314e+01 1.203352315083e+00
|
||||
15.5 1.604262488969e-01 1.601100284707e-01 2.383988996926e+01 1.539191520809e+00
|
||||
15.8333 2.987859018573e-01 2.982865097082e-01 2.370171348750e+01 1.934133647612e+00
|
||||
16.1667 5.307585250720e-01 5.300169112920e-01 2.346998308535e+01 2.387754908519e+00
|
||||
16.5 8.989956902916e-01 8.979611508040e-01 2.310203884529e+01 2.896121734266e+00
|
||||
16.8333 1.451582042996e+00 1.450226361448e+00 2.254977363415e+01 3.451285434102e+00
|
||||
17.1666 2.233972730862e+00 2.232300602870e+00 2.176769939235e+01 4.041047732562e+00
|
||||
17.5 3.276610346604e+00 3.274658958326e+00 2.072534103672e+01 4.649079608378e+00
|
||||
17.8333 4.580032365347e+00 4.577856581111e+00 1.942214341403e+01 5.255445898757e+00
|
||||
18.1666 6.101263069883e+00 6.098911107791e+00 1.790108888776e+01 5.837544906627e+00
|
||||
18.5 7.746550873541e+00 7.744044086572e+00 1.625595590971e+01 6.371420572385e+00
|
||||
18.8333 9.375124349924e+00 9.372456106626e+00 1.462754389062e+01 6.833351769771e+00
|
||||
19.1666 1.081616435699e+01 1.081332243662e+01 1.318667756165e+01 7.201577340318e+00
|
||||
19.5 1.189711477283e+01 1.189411416970e+01 1.210588582945e+01 7.457984760712e+00
|
||||
19.8333 1.247718192302e+01 1.247408415260e+01 1.152591584705e+01 7.589581188890e+00
|
||||
0 2.400000000000e+01 2.400000000001e+01 0.000000000000e+00 2.400000000001e+01
|
||||
0.166666 2.173421535788e+01 2.173403615953e+01 2.265963837555e+00 2.269804797033e+01
|
||||
0.499999 1.732877881413e+01 1.732819001088e+01 6.671809981450e+00 2.011807085413e+01
|
||||
0.833333 1.328084086748e+01 1.327978568454e+01 1.072021430459e+01 1.760856603205e+01
|
||||
1.16667 9.764795286473e+00 9.763307030588e+00 1.423669295684e+01 1.521227157407e+01
|
||||
1.5 6.876991640216e+00 6.875215357914e+00 1.712478462909e+01 1.296595961052e+01
|
||||
1.83333 4.633455928133e+00 4.631602980060e+00 1.936839700748e+01 1.089879733963e+01
|
||||
2.16666 2.983966658034e+00 2.982242889576e+00 2.101775709911e+01 9.031344427785e+00
|
||||
2.5 1.835677067050e+00 1.834226374349e+00 2.216577361581e+01 7.375229710913e+00
|
||||
2.83333 1.078314727713e+00 1.077198297073e+00 2.292280169465e+01 5.933476222847e+00
|
||||
3.16666 6.047305557783e-01 6.039382767912e-01 2.339606171644e+01 4.701379781822e+00
|
||||
3.5 3.237709470080e-01 3.232490525631e-01 2.367675094204e+01 3.667800399955e+00
|
||||
3.83333 1.655104664086e-01 1.651896628001e-01 2.383481033299e+01 2.816701882845e+00
|
||||
4.16666 8.080257204240e-02 8.061777229747e-02 2.391938222449e+01 2.128773573946e+00
|
||||
4.5 3.768568646672e-02 3.758557520673e-02 2.396241442239e+01 1.582986272154e+00
|
||||
4.83333 1.679767756894e-02 1.674652868457e-02 2.398325346955e+01 1.157966472263e+00
|
||||
5.16666 7.158752063679e-03 7.134045500772e-03 2.399286595323e+01 8.331126368302e-01
|
||||
5.49999 2.918449214332e-03 2.907143229950e-03 2.399709285587e+01 5.894176946330e-01
|
||||
5.83333 1.138722696040e-03 1.133812460283e-03 2.399886618691e+01 4.099979928623e-01
|
||||
6.16666 4.254688736287e-04 4.234417524586e-04 2.399957655782e+01 2.803568840130e-01
|
||||
6.49999 1.523139982618e-04 1.515173752174e-04 2.399984848234e+01 1.884293356575e-01
|
||||
6.83333 5.227267557720e-05 5.197429168621e-05 2.399994802552e+01 1.244625136586e-01
|
||||
7.16666 1.720732480116e-05 1.710067686707e-05 2.399998289920e+01 8.078763518550e-02
|
||||
7.49999 5.436192373459e-06 5.399780020750e-06 2.399999460014e+01 5.153271367857e-02
|
||||
7.83333 1.649130959657e-06 1.637243353855e-06 2.399999836271e+01 3.231654723820e-02
|
||||
8.16666 4.806491381349e-07 4.769347036536e-07 2.399999952304e+01 1.995365519989e-02
|
||||
8.49999 1.346725366297e-07 1.335606226395e-07 2.399999986642e+01 1.218958904341e-02
|
||||
8.83332 3.634765898121e-08 3.602792250425e-08 2.399999996396e+01 7.477287156792e-03
|
||||
9.16666 9.688623034758e-09 9.597781456181e-09 2.399999999040e+01 4.798487471579e-03
|
||||
9.49999 3.521368975345e-09 3.486221174492e-09 2.399999999651e+01 3.529761278079e-03
|
||||
9.83332 5.266906600210e-09 5.215747970469e-09 2.399999999478e+01 3.350250042338e-03
|
||||
10.1667 1.826871464229e-08 1.810246493771e-08 2.399999998189e+01 4.187235209478e-03
|
||||
10.5 6.734356349056e-08 6.676736728834e-08 2.399999993323e+01 6.195716015130e-03
|
||||
10.8333 2.402639314420e-07 2.383343475330e-07 2.399999976165e+01 9.768664014259e-03
|
||||
11.1667 8.242843018529e-07 8.180891310089e-07 2.399999918189e+01 1.557505013667e-02
|
||||
11.5 2.716922549622e-06 2.697877300180e-06 2.399999730209e+01 2.462264894765e-02
|
||||
11.8333 8.598959192629e-06 8.542946913497e-06 2.399999145700e+01 3.834165440595e-02
|
||||
12.1667 2.611819663843e-05 2.596074280449e-05 2.399997403917e+01 5.868305693760e-02
|
||||
12.5 7.608967015818e-05 7.566701745603e-05 2.399992433285e+01 8.822247450201e-02
|
||||
12.8333 2.124941138159e-04 2.114118449121e-04 2.399978858796e+01 1.302558794738e-01
|
||||
13.1667 5.685367828663e-04 5.658959587677e-04 2.399943410375e+01 1.888688939345e-01
|
||||
13.5 1.456506511045e-03 1.450373187820e-03 2.399854962640e+01 2.689568433456e-01
|
||||
13.8333 3.570772369452e-03 3.557230846963e-03 2.399644276858e+01 3.761696764504e-01
|
||||
14.1667 8.372702446682e-03 8.344318209107e-03 2.399165568100e+01 5.167554989993e-01
|
||||
14.5 1.876668623423e-02 1.871028306260e-02 2.398128971588e+01 6.972801618698e-01
|
||||
14.8333 4.018855158439e-02 4.008246069530e-02 2.395991753791e+01 9.242091443387e-01
|
||||
15.1667 8.218587185627e-02 8.199729506176e-02 2.391800270314e+01 1.203352315083e+00
|
||||
15.5 1.604262488969e-01 1.601100284715e-01 2.383988996926e+01 1.539191520809e+00
|
||||
15.8333 2.987859018573e-01 2.982865097096e-01 2.370171348749e+01 1.934133647612e+00
|
||||
16.1667 5.307585250720e-01 5.300169112942e-01 2.346998308535e+01 2.387754908519e+00
|
||||
16.5 8.989956902916e-01 8.979611508073e-01 2.310203884528e+01 2.896121734266e+00
|
||||
16.8333 1.451582042996e+00 1.450226361452e+00 2.254977363414e+01 3.451285434102e+00
|
||||
17.1666 2.233972730862e+00 2.232300602876e+00 2.176769939234e+01 4.041047732562e+00
|
||||
17.5 3.276610346604e+00 3.274658958333e+00 2.072534103671e+01 4.649079608378e+00
|
||||
17.8333 4.580032365347e+00 4.577856581120e+00 1.942214341402e+01 5.255445898757e+00
|
||||
18.1666 6.101263069883e+00 6.098911107801e+00 1.790108888776e+01 5.837544906627e+00
|
||||
18.5 7.746550873541e+00 7.744044086582e+00 1.625595590970e+01 6.371420572386e+00
|
||||
18.8333 9.375124349924e+00 9.372456106636e+00 1.462754389061e+01 6.833351769771e+00
|
||||
19.1666 1.081616435699e+01 1.081332243663e+01 1.318667756164e+01 7.201577340319e+00
|
||||
19.5 1.189711477283e+01 1.189411416971e+01 1.210588582944e+01 7.457984760712e+00
|
||||
19.8333 1.247718192302e+01 1.247408415261e+01 1.152591584704e+01 7.589581188890e+00
|
||||
|
||||
@ -113,6 +113,10 @@ WARNING: Dispersivities were read for 1 cells. Last value is used till cell 20.
|
||||
2060 erfc = b * (a1 + b * (a2 + b * (a3 + b * (a4 + b * a5)))) * EXP(-(z * z))
|
||||
2080 RETURN
|
||||
END
|
||||
WARNING:
|
||||
Calculating transport: 20 (mobile) cells, 1 shifts, 14 mixruns...
|
||||
|
||||
|
||||
SELECTED_OUTPUT
|
||||
active false # See also PRINT; selected_output false
|
||||
SOLUTION 1-57 24.0 mM KNO3
|
||||
@ -134,6 +138,10 @@ WARNING: Cell-lengths were read for 1 cells. Last value is used till cell 60.
|
||||
WARNING: No dispersivities were read; disp = 0 assumed.
|
||||
active true # See also PRINT; selected_output false
|
||||
END
|
||||
WARNING:
|
||||
Calculating transport: 60 (mobile) cells, 1 shifts, 122 mixruns...
|
||||
|
||||
|
||||
SOLUTION # Initial solution calculation for pure water
|
||||
PRINT
|
||||
reset false # Initial solution calculation not printed
|
||||
@ -164,7 +172,3 @@ WARNING: No dispersivities were read; disp = 0 assumed.
|
||||
7.5000e+00 1.0547e-05 1.2626e-06 -3.9008e-08 -2.6645e-09
|
||||
8.5000e+00 3.8231e-06 2.9867e-07 -2.2212e-09 -8.8983e-11
|
||||
|
||||
-------------------------------
|
||||
End of Run after 0.619 Seconds.
|
||||
-------------------------------
|
||||
|
||||
|
||||
@ -1,4 +1,5 @@
|
||||
dist_x temp Na_mmol K_mmol Cl_mmol error_Cl error_Na
|
||||
0 2.400000000000e+01 2.400000000001e+01 0.000000000000e+00 2.400000000001e+01
|
||||
0.5 0.000000000000e+00 0.000000000000e+00 2.400000000010e+01 0.000000000000e+00
|
||||
1.5 0.000000000000e+00 0.000000000000e+00 2.400000000010e+01 0.000000000000e+00
|
||||
2.5 0.000000000000e+00 0.000000000000e+00 2.400000000010e+01 0.000000000000e+00
|
||||
@ -19,26 +20,27 @@
|
||||
17.5 0.000000000000e+00 0.000000000000e+00 2.400000000010e+01 0.000000000000e+00
|
||||
18.5 0.000000000000e+00 0.000000000000e+00 2.400000000010e+01 0.000000000000e+00
|
||||
19.5 2.400000000000e+01 2.400000000000e+01 0.000000000000e+00 2.400000000000e+01
|
||||
0.5 1.686181418415e+01 1.686133609178e+01 7.138663899864e+00 2.011377529321e+01 4.381717835986e-06 5.068336357331e-04
|
||||
1.5 6.421492325960e+00 6.419558988183e+00 1.758044099843e+01 1.294968671941e+01 1.730376475377e-05 5.127073405375e-04
|
||||
2.5 1.759908541854e+00 1.758534659754e+00 2.224146533045e+01 7.342808261289e+00 3.561257293184e-05 9.186006161569e-05
|
||||
3.5 3.571924631562e-01 3.567054178249e-01 2.364329457694e+01 3.623408283677e+00 4.959925524361e-05 -3.682506955192e-05
|
||||
4.5 5.490209781371e-02 5.479279662390e-02 2.394520720114e+01 1.538555967128e+00 5.006313596799e-05 -1.968447681390e-05
|
||||
5.5 6.484238380348e-03 6.467124486967e-03 2.399353287476e+01 5.556625533108e-01 3.820767165765e-05 -4.051252484583e-06
|
||||
6.5 5.926340095484e-04 5.906785140003e-04 2.399940932133e+01 1.684990632467e-01 2.262672987214e-05 -4.873052767750e-07
|
||||
7.5 4.190926756604e-05 4.174299654809e-05 2.399995825704e+01 4.224784404202e-02 1.054699173426e-05 -3.900783491533e-08
|
||||
8.5 2.276345750780e-06 2.265781717003e-06 2.399999773430e+01 8.664946370890e-03 3.823149392512e-06 -2.221207693054e-09
|
||||
9.5 1.396593677778e-07 1.389123928270e-07 2.399999986118e+01 2.055609847092e-03
|
||||
10.5 1.138869021831e-06 1.133447609647e-06 2.399999886664e+01 4.374443607422e-03
|
||||
11.5 2.090811414205e-05 2.082226931291e-05 2.399997917780e+01 2.044715368546e-02
|
||||
12.5 2.951795282278e-04 2.941575641991e-04 2.399970584241e+01 7.995922685932e-02
|
||||
13.5 3.221164570742e-03 3.212049565180e-03 2.399678795014e+01 2.567109777338e-01
|
||||
14.5 2.715473190226e-02 2.709461903664e-02 2.397290538002e+01 6.850286499837e-01
|
||||
15.5 1.753541123879e-01 1.750694114102e-01 2.382493058642e+01 1.533872870595e+00
|
||||
16.5 8.525032220200e-01 8.515834471021e-01 2.314841654903e+01 2.902126148036e+00
|
||||
17.5 3.032149931402e+00 3.030261194913e+00 2.096973880001e+01 4.663139220088e+00
|
||||
18.5 7.550952821146e+00 7.548456392614e+00 1.645154360353e+01 6.385483516912e+00
|
||||
19.5 1.235834674495e+01 1.235529368930e+01 1.164470631042e+01 7.468268986450e+00
|
||||
0 2.400000000000e+01 2.400000000001e+01 0.000000000000e+00 2.400000000001e+01 -2.401100845928e-11 -2.401057130896e-11
|
||||
0.5 1.686181418415e+01 1.686133609178e+01 7.138663899854e+00 2.011377529319e+01 4.381717848272e-06 5.068336357383e-04
|
||||
1.5 6.421492325960e+00 6.419558988193e+00 1.758044099841e+01 1.294968671941e+01 1.730376475858e-05 5.127073405275e-04
|
||||
2.5 1.759908541854e+00 1.758534659760e+00 2.224146533044e+01 7.342808261289e+00 3.561257293223e-05 9.186006160917e-05
|
||||
3.5 3.571924631562e-01 3.567054178267e-01 2.364329457694e+01 3.623408283677e+00 4.959925524357e-05 -3.682506955372e-05
|
||||
4.5 5.490209781371e-02 5.479279662420e-02 2.394520720114e+01 1.538555967128e+00 5.006313596798e-05 -1.968447681420e-05
|
||||
5.5 6.484238380348e-03 6.467124487003e-03 2.399353287476e+01 5.556625533108e-01 3.820767165765e-05 -4.051252484619e-06
|
||||
6.5 5.926340095484e-04 5.906785140034e-04 2.399940932133e+01 1.684990632467e-01 2.262672987214e-05 -4.873052767781e-07
|
||||
7.5 4.190926756604e-05 4.174299654829e-05 2.399995825704e+01 4.224784404202e-02 1.054699173426e-05 -3.900783491554e-08
|
||||
8.5 2.276345750780e-06 2.265781717013e-06 2.399999773430e+01 8.664946370890e-03 3.823149392512e-06 -2.221207693064e-09
|
||||
9.5 1.396593677778e-07 1.389123928276e-07 2.399999986118e+01 2.055609847092e-03
|
||||
10.5 1.138869021831e-06 1.133447609651e-06 2.399999886664e+01 4.374443607422e-03
|
||||
11.5 2.090811414205e-05 2.082226931298e-05 2.399997917780e+01 2.044715368546e-02
|
||||
12.5 2.951795282278e-04 2.941575642002e-04 2.399970584241e+01 7.995922685932e-02
|
||||
13.5 3.221164570742e-03 3.212049565193e-03 2.399678795014e+01 2.567109777338e-01
|
||||
14.5 2.715473190226e-02 2.709461903675e-02 2.397290538002e+01 6.850286499837e-01
|
||||
15.5 1.753541123879e-01 1.750694114109e-01 2.382493058642e+01 1.533872870595e+00
|
||||
16.5 8.525032220200e-01 8.515834471049e-01 2.314841654903e+01 2.902126148036e+00
|
||||
17.5 3.032149931402e+00 3.030261194920e+00 2.096973880000e+01 4.663139220088e+00
|
||||
18.5 7.550952821146e+00 7.548456392624e+00 1.645154360352e+01 6.385483516912e+00
|
||||
19.5 1.235834674495e+01 1.235529368931e+01 1.164470631041e+01 7.468268986451e+00
|
||||
0.166667 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
|
||||
0.5 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
|
||||
0.833333 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
|
||||
@ -99,64 +101,64 @@
|
||||
19.1667 2.400000000000e+01 2.400000000000e+01 0.000000000000e+00 2.400000000000e+01
|
||||
19.5 2.400000000000e+01 2.400000000000e+01 0.000000000000e+00 2.400000000000e+01
|
||||
19.8333 2.400000000000e+01 2.400000000000e+01 0.000000000000e+00 2.400000000000e+01
|
||||
0.166667 2.173421305916e+01 2.173403386064e+01 2.265966136455e+00 2.269804666232e+01
|
||||
0.5 1.732877230198e+01 1.732818349807e+01 6.671816494274e+00 2.011806700220e+01 9.000883903140e-08 3.998622944698e-05
|
||||
0.833333 1.328083118787e+01 1.327977600374e+01 1.072022398540e+01 1.760855984597e+01
|
||||
1.16667 9.764783869793e+00 9.763295612550e+00 1.423670437489e+01 1.521226338239e+01
|
||||
1.5 6.876979954453e+00 6.875203671268e+00 1.712479631574e+01 1.296594983171e+01 1.040652460309e-06 5.706265745225e-05
|
||||
1.83333 4.633445178532e+00 4.631592230621e+00 1.936840775692e+01 1.089878644682e+01
|
||||
2.16667 2.983957613764e+00 2.982233846709e+00 2.101776614198e+01 9.031332911156e+00
|
||||
2.5 1.835670035272e+00 1.834219344978e+00 2.216578064518e+01 7.375218041926e+00 3.202792295669e-06 1.617537639093e-05
|
||||
2.83333 1.078309641703e+00 1.077193213976e+00 2.292280677774e+01 5.933464823770e+00
|
||||
3.16667 6.047271172834e-01 6.039348411878e-01 2.339606515204e+01 4.701369003158e+00
|
||||
3.5 3.237687663205e-01 3.232468743662e-01 2.367675312023e+01 3.667790507030e+00 5.217031890564e-06 -3.366526093211e-06
|
||||
3.83333 1.655091653734e-01 1.651883636801e-01 2.383481163211e+01 2.816693051605e+00
|
||||
4.16667 8.080184009388e-02 8.061704168636e-02 2.391938295510e+01 2.128765894912e+00
|
||||
4.5 3.768529738011e-02 3.758518697799e-02 2.396241481061e+01 1.582979760725e+00 5.639342371778e-06 -2.476867167992e-06
|
||||
4.83333 1.679748179371e-02 1.674633341890e-02 2.398325366481e+01 1.157961083143e+00
|
||||
5.16667 7.158658672534e-03 7.133952391592e-03 2.399286604633e+01 8.331082803358e-01
|
||||
5.5 2.918406916536e-03 2.907101078191e-03 2.399709289802e+01 5.894142528792e-01 4.455972089243e-06 -4.912290758068e-07
|
||||
5.83333 1.138704483513e-03 1.133794318814e-03 2.399886620505e+01 4.099953343115e-01
|
||||
6.16667 4.254614091982e-04 4.234343206106e-04 2.399957656525e+01 2.803548753978e-01
|
||||
6.5 1.523110828883e-04 1.515144739596e-04 2.399984848524e+01 1.884278508359e-01 2.697942282987e-06 -4.814123673435e-08
|
||||
6.83333 5.227158933236e-05 5.197321123209e-05 2.399994802660e+01 1.244614394111e-01
|
||||
7.16667 1.720693831522e-05 1.710029263492e-05 2.399998289958e+01 8.078687428985e-02
|
||||
7.5 5.436060934909e-06 5.399649415859e-06 2.399999460027e+01 5.153218579106e-02 1.262649985228e-06 -2.664487783102e-09
|
||||
7.83333 1.649088195275e-06 1.637200882983e-06 2.399999836275e+01 3.231618817632e-02
|
||||
8.16667 4.806358157844e-07 4.769214798001e-07 2.399999952305e+01 1.995341519605e-02
|
||||
8.5 1.346685590700e-07 1.335566766303e-07 2.399999986642e+01 1.218943044883e-02 2.986653145740e-07 -8.898265268152e-11
|
||||
8.83333 3.634651793240e-08 3.602679113519e-08 2.399999996396e+01 7.477181955867e-03
|
||||
9.16667 9.688299803978e-09 9.597461159179e-09 2.399999999040e+01 4.798414843919e-03
|
||||
9.5 3.521245209155e-09 3.486098607328e-09 2.399999999651e+01 3.529705336617e-03
|
||||
9.83333 5.266729325119e-09 5.215572366246e-09 2.399999999478e+01 3.350197792357e-03
|
||||
10.1667 1.826814042878e-08 1.810189577515e-08 2.399999998189e+01 4.187174719459e-03
|
||||
10.5 6.734157441183e-08 6.676539459846e-08 2.399999993322e+01 6.195634766519e-03
|
||||
10.8333 2.402572726136e-07 2.383277400047e-07 2.399999976166e+01 9.768547401637e-03
|
||||
11.1667 8.242629300769e-07 8.180679126515e-07 2.399999918191e+01 1.557488011882e-02
|
||||
11.5 2.716856871595e-06 2.697812059715e-06 2.399999730215e+01 2.462240289906e-02
|
||||
11.8333 8.598766106045e-06 8.542755015490e-06 2.399999145719e+01 3.834130428025e-02
|
||||
12.1667 2.611765408526e-05 2.596020332196e-05 2.399997403971e+01 5.868256892109e-02
|
||||
12.5 7.608821445992e-05 7.566556929096e-05 2.399992433429e+01 8.822180939210e-02
|
||||
12.8333 2.124903882618e-04 2.114081368778e-04 2.399978859166e+01 1.302549940497e-01
|
||||
13.1667 5.685276979853e-04 5.658869124388e-04 2.399943411280e+01 1.888677435760e-01
|
||||
13.5 1.456485427866e-03 1.450352184734e-03 2.399854964740e+01 2.689553860820e-01
|
||||
13.8333 3.570725867122e-03 3.557184501335e-03 2.399644281492e+01 3.761678784768e-01
|
||||
14.1667 8.372605102191e-03 8.344221152514e-03 2.399165577806e+01 5.167533414733e-01
|
||||
14.5 1.876649314861e-02 1.871009047197e-02 2.398128990847e+01 6.972776485204e-01
|
||||
14.8333 4.018818934234e-02 4.008209924639e-02 2.395991789936e+01 9.242063091065e-01
|
||||
15.1667 8.218523044497e-02 8.199665482891e-02 2.391800334337e+01 1.203349228727e+00
|
||||
15.5 1.604251797020e-01 1.601089608901e-01 2.383989103684e+01 1.539188295218e+00
|
||||
15.8333 2.987842293055e-01 2.982848391773e-01 2.370171515802e+01 1.934130436525e+00
|
||||
16.1667 5.307560799548e-01 5.300144684649e-01 2.346998552818e+01 2.387751903539e+00
|
||||
16.5 8.989923689458e-01 8.979578317768e-01 2.310204216431e+01 2.896119155486e+00
|
||||
16.8333 1.451577886835e+00 1.450222207351e+00 2.254977778824e+01 3.451283515303e+00
|
||||
17.1667 2.233968006579e+00 2.232295880171e+00 2.176770411505e+01 4.041046701772e+00
|
||||
17.5 3.276605594066e+00 3.274654206819e+00 2.072534578822e+01 4.649079665430e+00
|
||||
17.8333 4.580028376255e+00 4.577852592589e+00 1.942214740255e+01 5.255447192243e+00
|
||||
18.1667 6.101260773083e+00 6.098908811265e+00 1.790109118429e+01 5.837547513121e+00
|
||||
18.5 7.746551133352e+00 7.744044346449e+00 1.625595564983e+01 6.371424480908e+00
|
||||
18.8333 9.375127722697e+00 9.372459479182e+00 1.462754051806e+01 6.833356874076e+00
|
||||
19.1667 1.081617088116e+01 1.081332896012e+01 1.318667103815e+01 7.201583440737e+00
|
||||
19.5 1.189712387179e+01 1.189412326747e+01 1.210587673168e+01 7.457991576091e+00
|
||||
19.8333 1.247719247117e+01 1.247409469918e+01 1.152590530046e+01 7.589588377779e+00
|
||||
0.166667 2.173421305916e+01 2.173403386064e+01 2.265966136453e+00 2.269804666232e+01
|
||||
0.5 1.732877230198e+01 1.732818349806e+01 6.671816494266e+00 2.011806700219e+01 9.000885020996e-08 3.998622945188e-05
|
||||
0.833333 1.328083118787e+01 1.327977600374e+01 1.072022398538e+01 1.760855984596e+01
|
||||
1.16667 9.764783869793e+00 9.763295612556e+00 1.423670437487e+01 1.521226338238e+01
|
||||
1.5 6.876979954453e+00 6.875203671277e+00 1.712479631572e+01 1.296594983170e+01 1.040652464979e-06 5.706265744324e-05
|
||||
1.83333 4.633445178532e+00 4.631592230631e+00 1.936840775690e+01 1.089878644682e+01
|
||||
2.16667 2.983957613764e+00 2.982233846718e+00 2.101776614197e+01 9.031332911154e+00
|
||||
2.5 1.835670035272e+00 1.834219344985e+00 2.216578064517e+01 7.375218041925e+00 3.202792296072e-06 1.617537638391e-05
|
||||
2.83333 1.078309641703e+00 1.077193213981e+00 2.292280677774e+01 5.933464823770e+00
|
||||
3.16667 6.047271172834e-01 6.039348411910e-01 2.339606515204e+01 4.701369003158e+00
|
||||
3.5 3.237687663205e-01 3.232468743681e-01 2.367675312023e+01 3.667790507030e+00 5.217031890525e-06 -3.366526095183e-06
|
||||
3.83333 1.655091653734e-01 1.651883636812e-01 2.383481163211e+01 2.816693051605e+00
|
||||
4.16667 8.080184009388e-02 8.061704168694e-02 2.391938295510e+01 2.128765894912e+00
|
||||
4.5 3.768529738011e-02 3.758518697828e-02 2.396241481061e+01 1.582979760725e+00 5.639342371762e-06 -2.476867168276e-06
|
||||
4.83333 1.679748179371e-02 1.674633341903e-02 2.398325366481e+01 1.157961083143e+00
|
||||
5.16667 7.158658672534e-03 7.133952391650e-03 2.399286604633e+01 8.331082803358e-01
|
||||
5.5 2.918406916536e-03 2.907101078214e-03 2.399709289802e+01 5.894142528792e-01 4.455972089240e-06 -4.912290758305e-07
|
||||
5.83333 1.138704483513e-03 1.133794318824e-03 2.399886620505e+01 4.099953343115e-01
|
||||
6.16667 4.254614091982e-04 4.234343206141e-04 2.399957656525e+01 2.803548753978e-01
|
||||
6.5 1.523110828883e-04 1.515144739609e-04 2.399984848524e+01 1.884278508359e-01 2.697942282987e-06 -4.814123673560e-08
|
||||
6.83333 5.227158933236e-05 5.197321123251e-05 2.399994802660e+01 1.244614394111e-01
|
||||
7.16667 1.720693831522e-05 1.710029263506e-05 2.399998289958e+01 8.078687428985e-02
|
||||
7.5 5.436060934909e-06 5.399649415902e-06 2.399999460027e+01 5.153218579106e-02 1.262649985228e-06 -2.664487783145e-09
|
||||
7.83333 1.649088195275e-06 1.637200882996e-06 2.399999836275e+01 3.231618817632e-02
|
||||
8.16667 4.806358157844e-07 4.769214798039e-07 2.399999952305e+01 1.995341519605e-02
|
||||
8.5 1.346685590700e-07 1.335566766313e-07 2.399999986642e+01 1.218943044883e-02 2.986653145740e-07 -8.898265268258e-11
|
||||
8.83333 3.634651793240e-08 3.602679113547e-08 2.399999996396e+01 7.477181955867e-03
|
||||
9.16667 9.688299803978e-09 9.597461159252e-09 2.399999999040e+01 4.798414843919e-03
|
||||
9.5 3.521245209155e-09 3.486098607352e-09 2.399999999651e+01 3.529705336617e-03
|
||||
9.83333 5.266729325119e-09 5.215572366277e-09 2.399999999478e+01 3.350197792357e-03
|
||||
10.1667 1.826814042878e-08 1.810189577526e-08 2.399999998189e+01 4.187174719459e-03
|
||||
10.5 6.734157441183e-08 6.676539459885e-08 2.399999993322e+01 6.195634766519e-03
|
||||
10.8333 2.402572726136e-07 2.383277400061e-07 2.399999976166e+01 9.768547401637e-03
|
||||
11.1667 8.242629300769e-07 8.180679126565e-07 2.399999918191e+01 1.557488011882e-02
|
||||
11.5 2.716856871595e-06 2.697812059732e-06 2.399999730215e+01 2.462240289906e-02
|
||||
11.8333 8.598766106045e-06 8.542755015542e-06 2.399999145719e+01 3.834130428025e-02
|
||||
12.1667 2.611765408526e-05 2.596020332212e-05 2.399997403971e+01 5.868256892109e-02
|
||||
12.5 7.608821445992e-05 7.566556929143e-05 2.399992433429e+01 8.822180939210e-02
|
||||
12.8333 2.124903882618e-04 2.114081368791e-04 2.399978859166e+01 1.302549940497e-01
|
||||
13.1667 5.685276979853e-04 5.658869124423e-04 2.399943411280e+01 1.888677435760e-01
|
||||
13.5 1.456485427866e-03 1.450352184743e-03 2.399854964740e+01 2.689553860821e-01
|
||||
13.8333 3.570725867122e-03 3.557184501357e-03 2.399644281492e+01 3.761678784769e-01
|
||||
14.1667 8.372605102191e-03 8.344221152563e-03 2.399165577806e+01 5.167533414733e-01
|
||||
14.5 1.876649314861e-02 1.871009047208e-02 2.398128990847e+01 6.972776485204e-01
|
||||
14.8333 4.018818934234e-02 4.008209924661e-02 2.395991789936e+01 9.242063091066e-01
|
||||
15.1667 8.218523044497e-02 8.199665482934e-02 2.391800334337e+01 1.203349228728e+00
|
||||
15.5 1.604251797020e-01 1.601089608909e-01 2.383989103683e+01 1.539188295218e+00
|
||||
15.8333 2.987842293055e-01 2.982848391787e-01 2.370171515802e+01 1.934130436525e+00
|
||||
16.1667 5.307560799548e-01 5.300144684670e-01 2.346998552818e+01 2.387751903539e+00
|
||||
16.5 8.989923689458e-01 8.979578317801e-01 2.310204216431e+01 2.896119155486e+00
|
||||
16.8333 1.451577886835e+00 1.450222207355e+00 2.254977778824e+01 3.451283515303e+00
|
||||
17.1667 2.233968006579e+00 2.232295880177e+00 2.176770411504e+01 4.041046701772e+00
|
||||
17.5 3.276605594066e+00 3.274654206826e+00 2.072534578822e+01 4.649079665430e+00
|
||||
17.8333 4.580028376255e+00 4.577852592597e+00 1.942214740254e+01 5.255447192243e+00
|
||||
18.1667 6.101260773083e+00 6.098908811274e+00 1.790109118428e+01 5.837547513122e+00
|
||||
18.5 7.746551133352e+00 7.744044346459e+00 1.625595564982e+01 6.371424480909e+00
|
||||
18.8333 9.375127722697e+00 9.372459479193e+00 1.462754051805e+01 6.833356874077e+00
|
||||
19.1667 1.081617088116e+01 1.081332896013e+01 1.318667103814e+01 7.201583440738e+00
|
||||
19.5 1.189712387179e+01 1.189412326748e+01 1.210587673167e+01 7.457991576092e+00
|
||||
19.8333 1.247719247117e+01 1.247409469920e+01 1.152590530045e+01 7.589588377780e+00
|
||||
-99 2.500000000000e+01 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
|
||||
|
||||
@ -54,16 +54,15 @@ Initial solution 0.
|
||||
|
||||
pH = 7.000
|
||||
pe = 13.622 Equilibrium with O2(g)
|
||||
Specific Conductance (µS/cm, 25°C) = 191
|
||||
Density (g/cm³) = 0.99712
|
||||
Specific Conductance (µS/cm, 25°C) = 191
|
||||
Density (g/cm³) = 0.99712
|
||||
Volume (L) = 1.00302
|
||||
Viscosity (mPa s) = 0.89024
|
||||
Activity of water = 1.000
|
||||
Ionic strength (mol/kgw) = 1.500e-03
|
||||
Mass of water (kg) = 1.000e+00
|
||||
Total alkalinity (eq/kg) = 1.549e-09
|
||||
Total carbon (mol/kg) = 0.000e+00
|
||||
Total CO2 (mol/kg) = 0.000e+00
|
||||
Temperature (°C) = 25.00
|
||||
Total alkalinity (eq/kg) = 1.516e-09
|
||||
Temperature (°C) = 25.00
|
||||
Electrical balance (eq) = -1.000e-03
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -33.33
|
||||
Iterations = 3
|
||||
@ -73,13 +72,14 @@ Initial solution 0.
|
||||
----------------------------Distribution of species----------------------------
|
||||
|
||||
Log Log Log mole V
|
||||
Species Molality Activity Molality Activity Gamma cm³/mol
|
||||
Species Molality Activity Molality Activity Gamma cm³/mol
|
||||
|
||||
OH- 1.057e-07 1.012e-07 -6.976 -6.995 -0.019 -4.10
|
||||
H+ 1.042e-07 1.000e-07 -6.982 -7.000 -0.018 0.00
|
||||
H2O 5.551e+01 9.999e-01 1.744 -0.000 0.000 18.07
|
||||
Cl 1.000e-03
|
||||
Cl- 1.000e-03 9.576e-04 -3.000 -3.019 -0.019 18.08
|
||||
HCl 3.294e-11 3.299e-11 -10.482 -10.482 0.001 (0)
|
||||
H(0) 0.000e+00
|
||||
H2 0.000e+00 0.000e+00 -44.394 -44.394 0.000 28.61
|
||||
N(5) 1.000e-03
|
||||
@ -141,16 +141,15 @@ Initial solution 1.
|
||||
|
||||
pH = 7.000
|
||||
pe = 13.622 Equilibrium with O2(g)
|
||||
Specific Conductance (µS/cm, 25°C) = 140
|
||||
Density (g/cm³) = 0.99711
|
||||
Specific Conductance (µS/cm, 25°C) = 140
|
||||
Density (g/cm³) = 0.99711
|
||||
Volume (L) = 1.00301
|
||||
Viscosity (mPa s) = 0.89011
|
||||
Activity of water = 1.000
|
||||
Ionic strength (mol/kgw) = 1.000e-03
|
||||
Mass of water (kg) = 1.000e+00
|
||||
Total alkalinity (eq/kg) = 1.450e-09
|
||||
Total carbon (mol/kg) = 0.000e+00
|
||||
Total CO2 (mol/kg) = 0.000e+00
|
||||
Temperature (°C) = 25.00
|
||||
Temperature (°C) = 25.00
|
||||
Electrical balance (eq) = -1.450e-09
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
|
||||
Iterations = 3
|
||||
@ -160,7 +159,7 @@ Initial solution 1.
|
||||
----------------------------Distribution of species----------------------------
|
||||
|
||||
Log Log Log mole V
|
||||
Species Molality Activity Molality Activity Gamma cm³/mol
|
||||
Species Molality Activity Molality Activity Gamma cm³/mol
|
||||
|
||||
OH- 1.049e-07 1.012e-07 -6.979 -6.995 -0.016 -4.11
|
||||
H+ 1.035e-07 1.000e-07 -6.985 -7.000 -0.015 0.00
|
||||
@ -228,16 +227,15 @@ X 1.000e-03 mol
|
||||
|
||||
pH = 7.000 Charge balance
|
||||
pe = 13.622 Adjusted to redox equilibrium
|
||||
Specific Conductance (µS/cm, 25°C) = 140
|
||||
Density (g/cm³) = 0.99711
|
||||
Specific Conductance (µS/cm, 25°C) = 140
|
||||
Density (g/cm³) = 0.99711
|
||||
Volume (L) = 1.00301
|
||||
Viscosity (mPa s) = 0.89011
|
||||
Activity of water = 1.000
|
||||
Ionic strength (mol/kgw) = 1.000e-03
|
||||
Mass of water (kg) = 1.000e+00
|
||||
Total alkalinity (eq/kg) = 1.450e-09
|
||||
Total carbon (mol/kg) = 0.000e+00
|
||||
Total CO2 (mol/kg) = 0.000e+00
|
||||
Temperature (°C) = 25.00
|
||||
Temperature (°C) = 25.00
|
||||
Electrical balance (eq) = -1.450e-09
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
|
||||
Iterations = 0
|
||||
@ -247,7 +245,7 @@ X 1.000e-03 mol
|
||||
----------------------------Distribution of species----------------------------
|
||||
|
||||
Log Log Log mole V
|
||||
Species Molality Activity Molality Activity Gamma cm³/mol
|
||||
Species Molality Activity Molality Activity Gamma cm³/mol
|
||||
|
||||
OH- 1.049e-07 1.012e-07 -6.979 -6.995 -0.016 -4.11
|
||||
H+ 1.035e-07 1.000e-07 -6.985 -7.000 -0.015 0.00
|
||||
@ -305,6 +303,10 @@ Reading input data for simulation 3.
|
||||
END
|
||||
WARNING: Cell-lengths were read for 1 cells. Last value is used till cell 20.
|
||||
WARNING: Dispersivities were read for 1 cells. Last value is used till cell 20.
|
||||
WARNING:
|
||||
Calculating transport: 20 (mobile) cells, 5 shifts, 1 mixruns...
|
||||
|
||||
|
||||
SOLUTION 0 # Original solution with KNO3 reenters
|
||||
units mmol/l
|
||||
pH 7.0
|
||||
@ -336,7 +338,7 @@ WARNING: Dispersivities were read for 1 cells. Last value is used till cell 20.
|
||||
20 GRAPH_Y TOT("Na")*1000 TOT("Cl")*1000
|
||||
-end
|
||||
END
|
||||
-------------------------------
|
||||
End of Run after 0.107 Seconds.
|
||||
-------------------------------
|
||||
WARNING:
|
||||
Calculating transport: 20 (mobile) cells, 10 shifts, 1 mixruns...
|
||||
|
||||
|
||||
|
||||
@ -54,16 +54,15 @@ Initial solution 0.
|
||||
|
||||
pH = 7.000
|
||||
pe = 13.622 Equilibrium with O2(g)
|
||||
Specific Conductance (µS/cm, 25°C) = 191
|
||||
Density (g/cm³) = 0.99712
|
||||
Specific Conductance (µS/cm, 25°C) = 191
|
||||
Density (g/cm³) = 0.99712
|
||||
Volume (L) = 1.00302
|
||||
Viscosity (mPa s) = 0.89024
|
||||
Activity of water = 1.000
|
||||
Ionic strength (mol/kgw) = 1.500e-03
|
||||
Mass of water (kg) = 1.000e+00
|
||||
Total alkalinity (eq/kg) = 1.549e-09
|
||||
Total carbon (mol/kg) = 0.000e+00
|
||||
Total CO2 (mol/kg) = 0.000e+00
|
||||
Temperature (°C) = 25.00
|
||||
Total alkalinity (eq/kg) = 1.516e-09
|
||||
Temperature (°C) = 25.00
|
||||
Electrical balance (eq) = -1.000e-03
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -33.33
|
||||
Iterations = 3
|
||||
@ -73,13 +72,14 @@ Initial solution 0.
|
||||
----------------------------Distribution of species----------------------------
|
||||
|
||||
Log Log Log mole V
|
||||
Species Molality Activity Molality Activity Gamma cm³/mol
|
||||
Species Molality Activity Molality Activity Gamma cm³/mol
|
||||
|
||||
OH- 1.057e-07 1.012e-07 -6.976 -6.995 -0.019 -4.10
|
||||
H+ 1.042e-07 1.000e-07 -6.982 -7.000 -0.018 0.00
|
||||
H2O 5.551e+01 9.999e-01 1.744 -0.000 0.000 18.07
|
||||
Cl 1.000e-03
|
||||
Cl- 1.000e-03 9.576e-04 -3.000 -3.019 -0.019 18.08
|
||||
HCl 3.294e-11 3.299e-11 -10.482 -10.482 0.001 (0)
|
||||
H(0) 0.000e+00
|
||||
H2 0.000e+00 0.000e+00 -44.394 -44.394 0.000 28.61
|
||||
N(5) 1.000e-03
|
||||
@ -141,16 +141,15 @@ Initial solution 1.
|
||||
|
||||
pH = 7.000
|
||||
pe = 13.622 Equilibrium with O2(g)
|
||||
Specific Conductance (µS/cm, 25°C) = 140
|
||||
Density (g/cm³) = 0.99711
|
||||
Specific Conductance (µS/cm, 25°C) = 140
|
||||
Density (g/cm³) = 0.99711
|
||||
Volume (L) = 1.00301
|
||||
Viscosity (mPa s) = 0.89011
|
||||
Activity of water = 1.000
|
||||
Ionic strength (mol/kgw) = 1.000e-03
|
||||
Mass of water (kg) = 1.000e+00
|
||||
Total alkalinity (eq/kg) = 1.450e-09
|
||||
Total carbon (mol/kg) = 0.000e+00
|
||||
Total CO2 (mol/kg) = 0.000e+00
|
||||
Temperature (°C) = 25.00
|
||||
Temperature (°C) = 25.00
|
||||
Electrical balance (eq) = -1.450e-09
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
|
||||
Iterations = 3
|
||||
@ -160,7 +159,7 @@ Initial solution 1.
|
||||
----------------------------Distribution of species----------------------------
|
||||
|
||||
Log Log Log mole V
|
||||
Species Molality Activity Molality Activity Gamma cm³/mol
|
||||
Species Molality Activity Molality Activity Gamma cm³/mol
|
||||
|
||||
OH- 1.049e-07 1.012e-07 -6.979 -6.995 -0.016 -4.11
|
||||
H+ 1.035e-07 1.000e-07 -6.985 -7.000 -0.015 0.00
|
||||
@ -228,16 +227,15 @@ X 1.000e-03 mol
|
||||
|
||||
pH = 7.000 Charge balance
|
||||
pe = 13.622 Adjusted to redox equilibrium
|
||||
Specific Conductance (µS/cm, 25°C) = 140
|
||||
Density (g/cm³) = 0.99711
|
||||
Specific Conductance (µS/cm, 25°C) = 140
|
||||
Density (g/cm³) = 0.99711
|
||||
Volume (L) = 1.00301
|
||||
Viscosity (mPa s) = 0.89011
|
||||
Activity of water = 1.000
|
||||
Ionic strength (mol/kgw) = 1.000e-03
|
||||
Mass of water (kg) = 1.000e+00
|
||||
Total alkalinity (eq/kg) = 1.450e-09
|
||||
Total carbon (mol/kg) = 0.000e+00
|
||||
Total CO2 (mol/kg) = 0.000e+00
|
||||
Temperature (°C) = 25.00
|
||||
Temperature (°C) = 25.00
|
||||
Electrical balance (eq) = -1.450e-09
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
|
||||
Iterations = 0
|
||||
@ -247,7 +245,7 @@ X 1.000e-03 mol
|
||||
----------------------------Distribution of species----------------------------
|
||||
|
||||
Log Log Log mole V
|
||||
Species Molality Activity Molality Activity Gamma cm³/mol
|
||||
Species Molality Activity Molality Activity Gamma cm³/mol
|
||||
|
||||
OH- 1.049e-07 1.012e-07 -6.979 -6.995 -0.016 -4.11
|
||||
H+ 1.035e-07 1.000e-07 -6.985 -7.000 -0.015 0.00
|
||||
@ -305,6 +303,10 @@ Reading input data for simulation 3.
|
||||
END
|
||||
WARNING: Cell-lengths were read for 1 cells. Last value is used till cell 20.
|
||||
WARNING: Dispersivities were read for 1 cells. Last value is used till cell 20.
|
||||
WARNING:
|
||||
Calculating transport: 20 (mobile) cells, 5 shifts, 1 mixruns...
|
||||
|
||||
|
||||
SOLUTION 0 # Original solution with KNO3 reenters
|
||||
units mmol/l
|
||||
pH 7.0
|
||||
@ -337,6 +339,10 @@ WARNING: Dispersivities were read for 1 cells. Last value is used till cell 20.
|
||||
30 plot_xy dist, TOT("Cl")*1000, color = Green, symbol = Diamond, symbol_size = 7
|
||||
-end
|
||||
END
|
||||
WARNING:
|
||||
Calculating transport: 20 (mobile) cells, 10 shifts, 1 mixruns...
|
||||
|
||||
|
||||
PRINT
|
||||
user_graph false
|
||||
TITLE Example 13C.--1 mmol/l NaCl/NO3 enters column with stagnant zones.
|
||||
@ -818,6 +824,10 @@ WARNING: Dispersivities were read for 1 cells. Last value is used till cell 20.
|
||||
END
|
||||
WARNING: Cell-lengths were read for 1 cells. Last value is used till cell 20.
|
||||
WARNING: Dispersivities were read for 1 cells. Last value is used till cell 20.
|
||||
WARNING:
|
||||
Calculating transport: 20 (mobile) cells, 5 shifts, 1 mixruns...
|
||||
|
||||
|
||||
SOLUTION 0 # Original solution reenters
|
||||
units mmol/l
|
||||
pH 7.0
|
||||
@ -847,7 +857,7 @@ WARNING: Dispersivities were read for 1 cells. Last value is used till cell 20.
|
||||
30 plot_xy dist, TOT("Cl")*1000, color = Green, symbol = Plus
|
||||
-end
|
||||
END
|
||||
-------------------------------
|
||||
End of Run after 0.315 Seconds.
|
||||
-------------------------------
|
||||
WARNING:
|
||||
Calculating transport: 20 (mobile) cells, 10 shifts, 1 mixruns...
|
||||
|
||||
|
||||
|
||||
@ -54,16 +54,15 @@ Initial solution 0.
|
||||
|
||||
pH = 7.000
|
||||
pe = 13.622 Equilibrium with O2(g)
|
||||
Specific Conductance (µS/cm, 25°C) = 191
|
||||
Density (g/cm³) = 0.99712
|
||||
Specific Conductance (µS/cm, 25°C) = 191
|
||||
Density (g/cm³) = 0.99712
|
||||
Volume (L) = 1.00302
|
||||
Viscosity (mPa s) = 0.89024
|
||||
Activity of water = 1.000
|
||||
Ionic strength (mol/kgw) = 1.500e-03
|
||||
Mass of water (kg) = 1.000e+00
|
||||
Total alkalinity (eq/kg) = 1.549e-09
|
||||
Total carbon (mol/kg) = 0.000e+00
|
||||
Total CO2 (mol/kg) = 0.000e+00
|
||||
Temperature (°C) = 25.00
|
||||
Total alkalinity (eq/kg) = 1.516e-09
|
||||
Temperature (°C) = 25.00
|
||||
Electrical balance (eq) = -1.000e-03
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -33.33
|
||||
Iterations = 3
|
||||
@ -73,13 +72,14 @@ Initial solution 0.
|
||||
----------------------------Distribution of species----------------------------
|
||||
|
||||
Log Log Log mole V
|
||||
Species Molality Activity Molality Activity Gamma cm³/mol
|
||||
Species Molality Activity Molality Activity Gamma cm³/mol
|
||||
|
||||
OH- 1.057e-07 1.012e-07 -6.976 -6.995 -0.019 -4.10
|
||||
H+ 1.042e-07 1.000e-07 -6.982 -7.000 -0.018 0.00
|
||||
H2O 5.551e+01 9.999e-01 1.744 -0.000 0.000 18.07
|
||||
Cl 1.000e-03
|
||||
Cl- 1.000e-03 9.576e-04 -3.000 -3.019 -0.019 18.08
|
||||
HCl 3.294e-11 3.299e-11 -10.482 -10.482 0.001 (0)
|
||||
H(0) 0.000e+00
|
||||
H2 0.000e+00 0.000e+00 -44.394 -44.394 0.000 28.61
|
||||
N(5) 1.000e-03
|
||||
@ -141,16 +141,15 @@ Initial solution 1.
|
||||
|
||||
pH = 7.000
|
||||
pe = 13.622 Equilibrium with O2(g)
|
||||
Specific Conductance (µS/cm, 25°C) = 140
|
||||
Density (g/cm³) = 0.99711
|
||||
Specific Conductance (µS/cm, 25°C) = 140
|
||||
Density (g/cm³) = 0.99711
|
||||
Volume (L) = 1.00301
|
||||
Viscosity (mPa s) = 0.89011
|
||||
Activity of water = 1.000
|
||||
Ionic strength (mol/kgw) = 1.000e-03
|
||||
Mass of water (kg) = 1.000e+00
|
||||
Total alkalinity (eq/kg) = 1.450e-09
|
||||
Total carbon (mol/kg) = 0.000e+00
|
||||
Total CO2 (mol/kg) = 0.000e+00
|
||||
Temperature (°C) = 25.00
|
||||
Temperature (°C) = 25.00
|
||||
Electrical balance (eq) = -1.450e-09
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
|
||||
Iterations = 3
|
||||
@ -160,7 +159,7 @@ Initial solution 1.
|
||||
----------------------------Distribution of species----------------------------
|
||||
|
||||
Log Log Log mole V
|
||||
Species Molality Activity Molality Activity Gamma cm³/mol
|
||||
Species Molality Activity Molality Activity Gamma cm³/mol
|
||||
|
||||
OH- 1.049e-07 1.012e-07 -6.979 -6.995 -0.016 -4.11
|
||||
H+ 1.035e-07 1.000e-07 -6.985 -7.000 -0.015 0.00
|
||||
@ -228,16 +227,15 @@ X 1.000e-03 mol
|
||||
|
||||
pH = 7.000 Charge balance
|
||||
pe = 13.622 Adjusted to redox equilibrium
|
||||
Specific Conductance (µS/cm, 25°C) = 140
|
||||
Density (g/cm³) = 0.99711
|
||||
Specific Conductance (µS/cm, 25°C) = 140
|
||||
Density (g/cm³) = 0.99711
|
||||
Volume (L) = 1.00301
|
||||
Viscosity (mPa s) = 0.89011
|
||||
Activity of water = 1.000
|
||||
Ionic strength (mol/kgw) = 1.000e-03
|
||||
Mass of water (kg) = 1.000e+00
|
||||
Total alkalinity (eq/kg) = 1.450e-09
|
||||
Total carbon (mol/kg) = 0.000e+00
|
||||
Total CO2 (mol/kg) = 0.000e+00
|
||||
Temperature (°C) = 25.00
|
||||
Temperature (°C) = 25.00
|
||||
Electrical balance (eq) = -1.450e-09
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
|
||||
Iterations = 0
|
||||
@ -247,7 +245,7 @@ X 1.000e-03 mol
|
||||
----------------------------Distribution of species----------------------------
|
||||
|
||||
Log Log Log mole V
|
||||
Species Molality Activity Molality Activity Gamma cm³/mol
|
||||
Species Molality Activity Molality Activity Gamma cm³/mol
|
||||
|
||||
OH- 1.049e-07 1.012e-07 -6.979 -6.995 -0.016 -4.11
|
||||
H+ 1.035e-07 1.000e-07 -6.985 -7.000 -0.015 0.00
|
||||
@ -425,6 +423,10 @@ Reading input data for simulation 3.
|
||||
END
|
||||
WARNING: Cell-lengths were read for 1 cells. Last value is used till cell 20.
|
||||
WARNING: Dispersivities were read for 1 cells. Last value is used till cell 20.
|
||||
WARNING:
|
||||
Calculating transport: 20 (mobile) cells, 5 shifts, 1 mixruns...
|
||||
|
||||
|
||||
SOLUTION 0 # Original solution reenters
|
||||
units mmol/l
|
||||
pH 7.0
|
||||
@ -456,7 +458,7 @@ WARNING: Dispersivities were read for 1 cells. Last value is used till cell 20.
|
||||
20 GRAPH_Y TOT("Na")*1000 TOT("Cl")*1000
|
||||
-end
|
||||
END
|
||||
-------------------------------
|
||||
End of Run after 0.114 Seconds.
|
||||
-------------------------------
|
||||
WARNING:
|
||||
Calculating transport: 20 (mobile) cells, 10 shifts, 1 mixruns...
|
||||
|
||||
|
||||
|
||||
@ -54,16 +54,15 @@ Initial solution 0.
|
||||
|
||||
pH = 7.000
|
||||
pe = 13.622 Equilibrium with O2(g)
|
||||
Specific Conductance (µS/cm, 25°C) = 191
|
||||
Density (g/cm³) = 0.99712
|
||||
Specific Conductance (µS/cm, 25°C) = 191
|
||||
Density (g/cm³) = 0.99712
|
||||
Volume (L) = 1.00302
|
||||
Viscosity (mPa s) = 0.89024
|
||||
Activity of water = 1.000
|
||||
Ionic strength (mol/kgw) = 1.500e-03
|
||||
Mass of water (kg) = 1.000e+00
|
||||
Total alkalinity (eq/kg) = 1.549e-09
|
||||
Total carbon (mol/kg) = 0.000e+00
|
||||
Total CO2 (mol/kg) = 0.000e+00
|
||||
Temperature (°C) = 25.00
|
||||
Total alkalinity (eq/kg) = 1.516e-09
|
||||
Temperature (°C) = 25.00
|
||||
Electrical balance (eq) = -1.000e-03
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -33.33
|
||||
Iterations = 3
|
||||
@ -73,13 +72,14 @@ Initial solution 0.
|
||||
----------------------------Distribution of species----------------------------
|
||||
|
||||
Log Log Log mole V
|
||||
Species Molality Activity Molality Activity Gamma cm³/mol
|
||||
Species Molality Activity Molality Activity Gamma cm³/mol
|
||||
|
||||
OH- 1.057e-07 1.012e-07 -6.976 -6.995 -0.019 -4.10
|
||||
H+ 1.042e-07 1.000e-07 -6.982 -7.000 -0.018 0.00
|
||||
H2O 5.551e+01 9.999e-01 1.744 -0.000 0.000 18.07
|
||||
Cl 1.000e-03
|
||||
Cl- 1.000e-03 9.576e-04 -3.000 -3.019 -0.019 18.08
|
||||
HCl 3.294e-11 3.299e-11 -10.482 -10.482 0.001 (0)
|
||||
H(0) 0.000e+00
|
||||
H2 0.000e+00 0.000e+00 -44.394 -44.394 0.000 28.61
|
||||
N(5) 1.000e-03
|
||||
@ -141,16 +141,15 @@ Initial solution 1.
|
||||
|
||||
pH = 7.000
|
||||
pe = 13.622 Equilibrium with O2(g)
|
||||
Specific Conductance (µS/cm, 25°C) = 140
|
||||
Density (g/cm³) = 0.99711
|
||||
Specific Conductance (µS/cm, 25°C) = 140
|
||||
Density (g/cm³) = 0.99711
|
||||
Volume (L) = 1.00301
|
||||
Viscosity (mPa s) = 0.89011
|
||||
Activity of water = 1.000
|
||||
Ionic strength (mol/kgw) = 1.000e-03
|
||||
Mass of water (kg) = 1.000e+00
|
||||
Total alkalinity (eq/kg) = 1.450e-09
|
||||
Total carbon (mol/kg) = 0.000e+00
|
||||
Total CO2 (mol/kg) = 0.000e+00
|
||||
Temperature (°C) = 25.00
|
||||
Temperature (°C) = 25.00
|
||||
Electrical balance (eq) = -1.450e-09
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
|
||||
Iterations = 3
|
||||
@ -160,7 +159,7 @@ Initial solution 1.
|
||||
----------------------------Distribution of species----------------------------
|
||||
|
||||
Log Log Log mole V
|
||||
Species Molality Activity Molality Activity Gamma cm³/mol
|
||||
Species Molality Activity Molality Activity Gamma cm³/mol
|
||||
|
||||
OH- 1.049e-07 1.012e-07 -6.979 -6.995 -0.016 -4.11
|
||||
H+ 1.035e-07 1.000e-07 -6.985 -7.000 -0.015 0.00
|
||||
@ -228,16 +227,15 @@ X 1.000e-03 mol
|
||||
|
||||
pH = 7.000 Charge balance
|
||||
pe = 13.622 Adjusted to redox equilibrium
|
||||
Specific Conductance (µS/cm, 25°C) = 140
|
||||
Density (g/cm³) = 0.99711
|
||||
Specific Conductance (µS/cm, 25°C) = 140
|
||||
Density (g/cm³) = 0.99711
|
||||
Volume (L) = 1.00301
|
||||
Viscosity (mPa s) = 0.89011
|
||||
Activity of water = 1.000
|
||||
Ionic strength (mol/kgw) = 1.000e-03
|
||||
Mass of water (kg) = 1.000e+00
|
||||
Total alkalinity (eq/kg) = 1.450e-09
|
||||
Total carbon (mol/kg) = 0.000e+00
|
||||
Total CO2 (mol/kg) = 0.000e+00
|
||||
Temperature (°C) = 25.00
|
||||
Temperature (°C) = 25.00
|
||||
Electrical balance (eq) = -1.450e-09
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
|
||||
Iterations = 0
|
||||
@ -247,7 +245,7 @@ X 1.000e-03 mol
|
||||
----------------------------Distribution of species----------------------------
|
||||
|
||||
Log Log Log mole V
|
||||
Species Molality Activity Molality Activity Gamma cm³/mol
|
||||
Species Molality Activity Molality Activity Gamma cm³/mol
|
||||
|
||||
OH- 1.049e-07 1.012e-07 -6.979 -6.995 -0.016 -4.11
|
||||
H+ 1.035e-07 1.000e-07 -6.985 -7.000 -0.015 0.00
|
||||
@ -745,6 +743,10 @@ Reading input data for simulation 3.
|
||||
END
|
||||
WARNING: Cell-lengths were read for 1 cells. Last value is used till cell 20.
|
||||
WARNING: Dispersivities were read for 1 cells. Last value is used till cell 20.
|
||||
WARNING:
|
||||
Calculating transport: 20 (mobile) cells, 5 shifts, 1 mixruns...
|
||||
|
||||
|
||||
SOLUTION 0 # Original solution reenters
|
||||
units mmol/l
|
||||
pH 7.0
|
||||
@ -776,7 +778,7 @@ WARNING: Dispersivities were read for 1 cells. Last value is used till cell 20.
|
||||
20 GRAPH_Y TOT("Na")*1000 TOT("Cl")*1000
|
||||
-end
|
||||
END
|
||||
-------------------------------
|
||||
End of Run after 0.207 Seconds.
|
||||
-------------------------------
|
||||
WARNING:
|
||||
Calculating transport: 20 (mobile) cells, 10 shifts, 1 mixruns...
|
||||
|
||||
|
||||
|
||||
@ -87,101 +87,109 @@ Initial solution 1. Brine
|
||||
|
||||
pH = 5.713
|
||||
pe = 14.962 Equilibrium with O2(g)
|
||||
Specific Conductance (µS/cm, 25°C) = 264030
|
||||
Density (g/cm³) = 1.21643
|
||||
Volume (L) = 1.13687
|
||||
Specific Conductance (µS/cm, 25°C) = 264118
|
||||
Density (g/cm³) = 1.21637
|
||||
Volume (L) = 1.13692
|
||||
Viscosity (mPa s) = 1.95530
|
||||
Activity of water = 0.785
|
||||
Ionic strength (mol/kgw) = 7.268e+00
|
||||
Ionic strength (mol/kgw) = 7.269e+00
|
||||
Mass of water (kg) = 1.000e+00
|
||||
Total alkalinity (eq/kg) = 3.827e-03
|
||||
Total alkalinity (eq/kg) = 3.725e-03
|
||||
Total CO2 (mol/kg) = 3.960e-03
|
||||
Temperature (°C) = 25.00
|
||||
Electrical balance (eq) = -2.444e-14
|
||||
Temperature (°C) = 25.00
|
||||
Electrical balance (eq) = -2.164e-15
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
|
||||
Iterations = 12
|
||||
Total H = 1.110163e+02
|
||||
Total O = 5.553696e+01
|
||||
Total H = 1.110162e+02
|
||||
Total O = 5.553686e+01
|
||||
|
||||
----------------------------Distribution of species----------------------------
|
||||
|
||||
Log Log Log mole V
|
||||
Species Molality Activity Molality Activity Gamma cm³/mol
|
||||
Species Molality Activity Molality Activity Gamma cm³/mol
|
||||
|
||||
H+ 2.756e-06 1.936e-06 -5.560 -5.713 -0.153 0.00
|
||||
OH- 8.878e-09 4.101e-09 -8.052 -8.387 -0.335 6.33
|
||||
H2O 5.551e+01 7.846e-01 1.744 -0.105 0.000 18.07
|
||||
As 2.500e-08
|
||||
H2AsO4- 2.498e-08 1.373e-07 -7.602 -6.862 0.740 (0)
|
||||
H3AsO4 8.667e-12 4.620e-11 -11.062 -10.335 0.727 (0)
|
||||
HAsO4-2 8.524e-12 7.774e-09 -11.069 -8.109 2.960 (0)
|
||||
AsO4-3 2.777e-21 1.270e-14 -20.556 -13.896 6.660 (0)
|
||||
H2AsO4- 2.498e-08 1.374e-07 -7.602 -6.862 0.740 (0)
|
||||
H3AsO4 8.668e-12 4.623e-11 -11.062 -10.335 0.727 (0)
|
||||
HAsO4-2 8.510e-12 7.778e-09 -11.070 -8.109 2.961 (0)
|
||||
AsO4-3 2.765e-21 1.270e-14 -20.558 -13.896 6.662 (0)
|
||||
C(-4) 0.000e+00
|
||||
CH4 0.000e+00 0.000e+00 -144.673 -143.947 0.727 35.46
|
||||
CH4 0.000e+00 0.000e+00 -144.672 -143.945 0.727 35.46
|
||||
C(4) 3.960e-03
|
||||
CaHCO3+ 1.904e-03 1.153e-03 -2.720 -2.938 -0.218 10.08
|
||||
MgHCO3+ 1.559e-03 7.763e-04 -2.807 -3.110 -0.303 6.01
|
||||
HCO3- 2.200e-04 1.272e-04 -3.658 -3.895 -0.238 43.93
|
||||
NaHCO3 1.439e-04 7.671e-04 -3.842 -3.115 0.727 1.80
|
||||
CO2 1.325e-04 7.061e-04 -3.878 -3.151 0.727 34.43
|
||||
CaCO3 6.898e-07 3.677e-06 -6.161 -5.435 0.727 -14.60
|
||||
MgCO3 2.876e-07 1.533e-06 -6.541 -5.814 0.727 -17.09
|
||||
NaCO3- 1.119e-07 6.152e-07 -6.951 -6.211 0.740 35.65
|
||||
CO3-2 2.754e-08 3.082e-09 -7.560 -8.511 -0.951 8.23
|
||||
(CO2)2 1.717e-09 9.151e-09 -8.765 -8.039 0.727 68.87
|
||||
CaHCO3+ 1.913e-03 1.159e-03 -2.718 -2.936 -0.218 10.08
|
||||
MgHCO3+ 1.571e-03 7.824e-04 -2.804 -3.107 -0.303 6.01
|
||||
CO2 2.346e-04 7.083e-04 -3.630 -3.150 0.480 34.43
|
||||
HCO3- 2.207e-04 1.276e-04 -3.656 -3.894 -0.238 36.42
|
||||
NaHCO3 1.947e-05 9.149e-04 -4.711 -3.039 1.672 28.00
|
||||
CaCO3 6.929e-07 3.695e-06 -6.159 -5.432 0.727 -14.60
|
||||
MgCO3 2.898e-07 1.545e-06 -6.538 -5.811 0.727 -17.09
|
||||
CO3-2 2.763e-08 3.091e-09 -7.559 -8.510 -0.951 9.50
|
||||
(CO2)2 1.727e-09 9.208e-09 -8.763 -8.036 0.727 68.87
|
||||
Ca 4.655e-01
|
||||
Ca+2 4.629e-01 7.102e-01 -0.335 -0.149 0.186 -13.79
|
||||
CaHCO3+ 1.904e-03 1.153e-03 -2.720 -2.938 -0.218 10.08
|
||||
CaSO4 7.012e-04 3.738e-03 -3.154 -2.427 0.727 7.50
|
||||
CaCO3 6.898e-07 3.677e-06 -6.161 -5.435 0.727 -14.60
|
||||
CaOH+ 8.691e-09 4.776e-08 -8.061 -7.321 0.740 (0)
|
||||
CaHSO4+ 8.657e-09 4.758e-08 -8.063 -7.323 0.740 (0)
|
||||
Ca+2 4.635e-01 7.115e-01 -0.334 -0.148 0.186 -13.79
|
||||
CaHCO3+ 1.913e-03 1.159e-03 -2.718 -2.936 -0.218 10.08
|
||||
CaSO4 1.076e-04 5.737e-04 -3.968 -3.241 0.727 7.50
|
||||
CaCO3 6.929e-07 3.695e-06 -6.159 -5.432 0.727 -14.60
|
||||
CaOH+ 8.702e-09 4.785e-08 -8.060 -7.320 0.740 (0)
|
||||
CaHSO4+ 1.328e-09 7.302e-09 -8.877 -8.137 0.740 (0)
|
||||
Cl 6.642e+00
|
||||
Cl- 6.642e+00 4.165e+00 0.822 0.620 -0.203 20.27
|
||||
HCl 2.238e-09 2.778e-06 -8.650 -5.556 3.094 (0)
|
||||
H(0) 0.000e+00
|
||||
H2 0.000e+00 0.000e+00 -45.226 -44.499 0.727 28.61
|
||||
Mg 1.609e-01
|
||||
Mg+2 1.587e-01 5.214e-01 -0.800 -0.283 0.517 -17.22
|
||||
MgHCO3+ 1.559e-03 7.763e-04 -2.807 -3.110 -0.303 6.01
|
||||
MgSO4 6.786e-04 3.617e-03 -3.168 -2.442 0.727 5.84
|
||||
MgOH+ 1.226e-06 7.671e-07 -5.912 -6.115 -0.204 (0)
|
||||
MgCO3 2.876e-07 1.533e-06 -6.541 -5.814 0.727 -17.09
|
||||
Mg+2 1.593e-01 5.239e-01 -0.798 -0.281 0.517 -17.22
|
||||
MgHCO3+ 1.571e-03 7.824e-04 -2.804 -3.107 -0.303 6.01
|
||||
MgSO4 2.187e-05 6.220e-04 -4.660 -3.206 1.454 -0.83
|
||||
MgOH+ 1.231e-06 7.707e-07 -5.910 -6.113 -0.204 (0)
|
||||
MgCO3 2.898e-07 1.545e-06 -6.538 -5.811 0.727 -17.09
|
||||
Mg(SO4)2-2 2.456e-08 9.289e-09 -7.610 -8.032 -0.422 60.47
|
||||
Na 5.402e+00
|
||||
Na+ 5.399e+00 1.072e+01 0.732 1.030 0.298 1.52
|
||||
NaSO4- 2.749e-03 1.590e-03 -2.561 -2.799 -0.238 40.51
|
||||
NaHCO3 1.439e-04 7.671e-04 -3.842 -3.115 0.727 1.80
|
||||
NaCO3- 1.119e-07 6.152e-07 -6.951 -6.211 0.740 35.65
|
||||
NaOH 8.248e-19 4.397e-18 -18.084 -17.357 0.727 (0)
|
||||
O(0) 9.590e-05
|
||||
O2 4.795e-05 2.556e-04 -4.319 -3.592 0.727 30.40
|
||||
Na+ 5.397e+00 1.072e+01 0.732 1.030 0.298 1.52
|
||||
NaSO4- 4.504e-03 1.899e-04 -2.346 -3.722 -1.375 44.00
|
||||
NaHCO3 1.947e-05 9.149e-04 -4.711 -3.039 1.672 28.00
|
||||
NaOH 8.245e-19 4.397e-18 -18.084 -17.357 0.727 (0)
|
||||
O(0) 9.586e-05
|
||||
O2 4.793e-05 2.556e-04 -4.319 -3.592 0.727 30.40
|
||||
S(-2) 0.000e+00
|
||||
H2S 0.000e+00 0.000e+00 -141.065 -140.338 0.727 37.16
|
||||
HS- 0.000e+00 0.000e+00 -141.232 -141.567 -0.335 23.12
|
||||
S-2 0.000e+00 0.000e+00 -147.759 -148.772 -1.013 (0)
|
||||
H2S 0.000e+00 0.000e+00 -141.880 -141.153 0.727 36.27
|
||||
HS- 0.000e+00 0.000e+00 -142.046 -142.382 -0.335 23.12
|
||||
S-2 0.000e+00 0.000e+00 -148.573 -149.587 -1.013 (0)
|
||||
(H2S)2 0.000e+00 0.000e+00 -284.311 -283.584 0.727 30.09
|
||||
S(6) 4.725e-03
|
||||
NaSO4- 2.749e-03 1.590e-03 -2.561 -2.799 -0.238 40.51
|
||||
CaSO4 7.012e-04 3.738e-03 -3.154 -2.427 0.727 7.50
|
||||
MgSO4 6.786e-04 3.617e-03 -3.168 -2.442 0.727 5.84
|
||||
SO4-2 5.959e-04 2.959e-05 -3.225 -4.529 -1.304 24.57
|
||||
CaHSO4+ 8.657e-09 4.758e-08 -8.063 -7.323 0.740 (0)
|
||||
HSO4- 1.014e-09 5.572e-09 -8.994 -8.254 0.740 42.16
|
||||
NaSO4- 4.504e-03 1.899e-04 -2.346 -3.722 -1.375 44.00
|
||||
CaSO4 1.076e-04 5.737e-04 -3.968 -3.241 0.727 7.50
|
||||
SO4-2 9.132e-05 4.534e-06 -4.039 -5.344 -1.304 24.85
|
||||
MgSO4 2.187e-05 6.220e-04 -4.660 -3.206 1.454 -0.83
|
||||
Mg(SO4)2-2 2.456e-08 9.289e-09 -7.610 -8.032 -0.422 60.47
|
||||
CaHSO4+ 1.328e-09 7.302e-09 -8.877 -8.137 0.740 (0)
|
||||
HSO4- 1.553e-10 8.536e-10 -9.809 -9.069 0.740 42.16
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
|
||||
Phase SI** log IAP log K(298 K, 1 atm)
|
||||
|
||||
Anhydrite -0.40 -4.68 -4.28 CaSO4
|
||||
Anhydrite -1.21 -5.49 -4.28 CaSO4
|
||||
Aragonite -0.32 -8.66 -8.34 CaCO3
|
||||
Calcite -0.18 -8.66 -8.48 CaCO3
|
||||
CH4(g) -141.14 -143.95 -2.80 CH4
|
||||
CO2(g) -1.68 -3.15 -1.47 CO2
|
||||
Dolomite -0.36 -17.45 -17.09 CaMg(CO3)2
|
||||
Gypsum -0.31 -4.89 -4.58 CaSO4:2H2O
|
||||
Dolomite -0.36 -17.45 -17.08 CaMg(CO3)2
|
||||
Epsomite -4.62 -6.36 -1.74 MgSO4:7H2O
|
||||
Gypsum -1.12 -5.70 -4.58 CaSO4:2H2O
|
||||
H2(g) -41.40 -44.50 -3.10 H2
|
||||
H2O(g) -1.61 -0.11 1.50 H2O
|
||||
H2S(g) -139.29 -147.28 -7.99 H2S
|
||||
H2S(g) -140.16 -148.09 -7.94 H2S
|
||||
Halite 0.08 1.65 1.57 NaCl
|
||||
Hexahydrite -4.69 -6.26 -1.57 MgSO4:6H2O
|
||||
Kieserite -4.57 -5.73 -1.16 MgSO4:H2O
|
||||
Mirabilite -3.10 -4.34 -1.24 Na2SO4:10H2O
|
||||
O2(g) -0.70 -3.59 -2.89 O2 Pressure 0.2 atm, phi 1.000
|
||||
Sulfur -103.87 -98.99 4.88 S
|
||||
Sulfur -104.69 -99.80 4.88 S
|
||||
Thenardite -2.98 -3.28 -0.30 Na2SO4
|
||||
|
||||
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
||||
For ideal gases, phi = 1.
|
||||
@ -221,120 +229,128 @@ Using pure phase assemblage 1.
|
||||
Moles in assemblage
|
||||
Phase SI log IAP log K(T, P) Initial Final Delta
|
||||
|
||||
Calcite 0.00 -8.48 -8.48 1.000e-01 1.021e-01 2.144e-03
|
||||
Dolomite 0.00 -17.09 -17.09 1.600e+00 1.599e+00 -1.094e-03
|
||||
Calcite 0.00 -8.48 -8.48 1.000e-01 1.049e-01 4.907e-03
|
||||
Dolomite 0.00 -17.08 -17.08 1.600e+00 1.598e+00 -2.489e-03
|
||||
|
||||
-----------------------------Solution composition------------------------------
|
||||
|
||||
Elements Molality Moles
|
||||
|
||||
As 2.500e-08 2.500e-08
|
||||
C 4.004e-03 4.004e-03
|
||||
Ca 4.644e-01 4.644e-01
|
||||
C 4.031e-03 4.031e-03
|
||||
Ca 4.631e-01 4.631e-01
|
||||
Cl 6.642e+00 6.642e+00
|
||||
Mg 1.620e-01 1.620e-01
|
||||
Mg 1.634e-01 1.634e-01
|
||||
Na 5.402e+00 5.402e+00
|
||||
S 4.725e-03 4.725e-03
|
||||
|
||||
----------------------------Description of solution----------------------------
|
||||
|
||||
pH = 5.885 Charge balance
|
||||
pe = 14.789 Adjusted to redox equilibrium
|
||||
Specific Conductance (µS/cm, 25°C) = 264025
|
||||
Density (g/cm³) = 1.21642
|
||||
Volume (L) = 1.13687
|
||||
pH = 5.879 Charge balance
|
||||
pe = 14.796 Adjusted to redox equilibrium
|
||||
Specific Conductance (µS/cm, 25°C) = 264107
|
||||
Density (g/cm³) = 1.21635
|
||||
Volume (L) = 1.13691
|
||||
Viscosity (mPa s) = 1.95565
|
||||
Activity of water = 0.785
|
||||
Ionic strength (mol/kgw) = 7.268e+00
|
||||
Ionic strength (mol/kgw) = 7.269e+00
|
||||
Mass of water (kg) = 1.000e+00
|
||||
Total alkalinity (eq/kg) = 3.914e-03
|
||||
Total CO2 (mol/kg) = 4.004e-03
|
||||
Temperature (°C) = 25.00
|
||||
Electrical balance (eq) = 1.056e-13
|
||||
Total alkalinity (eq/kg) = 3.867e-03
|
||||
Total CO2 (mol/kg) = 4.031e-03
|
||||
Temperature (°C) = 25.00
|
||||
Electrical balance (eq) = 7.756e-13
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
||||
Iterations = 3
|
||||
Total H = 1.110163e+02
|
||||
Total O = 5.553709e+01
|
||||
Total H = 1.110162e+02
|
||||
Total O = 5.553707e+01
|
||||
|
||||
----------------------------Distribution of species----------------------------
|
||||
|
||||
Log Log Log mole V
|
||||
Species Molality Activity Molality Activity Gamma cm³/mol
|
||||
Species Molality Activity Molality Activity Gamma cm³/mol
|
||||
|
||||
H+ 1.854e-06 1.303e-06 -5.732 -5.885 -0.153 0.00
|
||||
OH- 1.320e-08 6.096e-09 -7.880 -8.215 -0.335 6.33
|
||||
H+ 1.882e-06 1.322e-06 -5.725 -5.879 -0.153 0.00
|
||||
OH- 1.300e-08 6.005e-09 -7.886 -8.221 -0.335 6.33
|
||||
H2O 5.551e+01 7.846e-01 1.744 -0.105 0.000 18.07
|
||||
As 2.500e-08
|
||||
H2AsO4- 2.498e-08 1.373e-07 -7.602 -6.862 0.740 (0)
|
||||
HAsO4-2 1.267e-11 1.156e-08 -10.897 -7.937 2.960 (0)
|
||||
H3AsO4 5.830e-12 3.108e-11 -11.234 -10.508 0.727 (0)
|
||||
AsO4-3 6.137e-21 2.805e-14 -20.212 -13.552 6.660 (0)
|
||||
H2AsO4- 2.498e-08 1.374e-07 -7.602 -6.862 0.740 (0)
|
||||
HAsO4-2 1.246e-11 1.139e-08 -10.904 -7.944 2.961 (0)
|
||||
H3AsO4 5.919e-12 3.157e-11 -11.228 -10.501 0.727 (0)
|
||||
AsO4-3 5.930e-21 2.724e-14 -20.227 -13.565 6.662 (0)
|
||||
C(-4) 0.000e+00
|
||||
CH4 0.000e+00 0.000e+00 -144.837 -144.110 0.727 35.46
|
||||
C(4) 4.004e-03
|
||||
CaHCO3+ 1.938e-03 1.174e-03 -2.713 -2.930 -0.218 10.08
|
||||
MgHCO3+ 1.601e-03 7.975e-04 -2.796 -3.098 -0.303 6.01
|
||||
HCO3- 2.245e-04 1.299e-04 -3.649 -3.887 -0.238 43.93
|
||||
NaHCO3 1.469e-04 7.829e-04 -3.833 -3.106 0.727 1.80
|
||||
CO2 9.094e-05 4.848e-04 -4.041 -3.314 0.727 34.43
|
||||
CaCO3 1.044e-06 5.565e-06 -5.981 -5.255 0.727 -14.60
|
||||
MgCO3 4.392e-07 2.341e-06 -6.357 -5.631 0.727 -17.09
|
||||
NaCO3- 1.698e-07 9.333e-07 -6.770 -6.030 0.740 35.65
|
||||
CO3-2 4.178e-08 4.675e-09 -7.379 -8.330 -0.951 8.24
|
||||
(CO2)2 8.092e-10 4.313e-09 -9.092 -8.365 0.727 68.87
|
||||
Ca 4.644e-01
|
||||
Ca+2 4.618e-01 7.086e-01 -0.336 -0.150 0.186 -13.79
|
||||
CaHCO3+ 1.938e-03 1.174e-03 -2.713 -2.930 -0.218 10.08
|
||||
CaSO4 6.991e-04 3.727e-03 -3.155 -2.429 0.727 7.50
|
||||
CaCO3 1.044e-06 5.565e-06 -5.981 -5.255 0.727 -14.60
|
||||
CaOH+ 1.289e-08 7.083e-08 -7.890 -7.150 0.740 (0)
|
||||
CaHSO4+ 5.807e-09 3.191e-08 -8.236 -7.496 0.740 (0)
|
||||
CH4 0.000e+00 0.000e+00 -144.824 -144.097 0.727 35.46
|
||||
C(4) 4.031e-03
|
||||
CaHCO3+ 1.967e-03 1.191e-03 -2.706 -2.924 -0.218 10.08
|
||||
MgHCO3+ 1.648e-03 8.210e-04 -2.783 -3.086 -0.303 6.01
|
||||
HCO3- 2.281e-04 1.319e-04 -3.642 -3.880 -0.238 36.42
|
||||
CO2 1.656e-04 5.000e-04 -3.781 -3.301 0.480 34.43
|
||||
NaHCO3 2.013e-05 9.457e-04 -4.696 -3.024 1.672 28.00
|
||||
CaCO3 1.043e-06 5.563e-06 -5.982 -5.255 0.727 -14.60
|
||||
MgCO3 4.453e-07 2.375e-06 -6.351 -5.624 0.727 -17.09
|
||||
CO3-2 4.182e-08 4.679e-09 -7.379 -8.330 -0.951 9.50
|
||||
(CO2)2 8.605e-10 4.588e-09 -9.065 -8.338 0.727 68.87
|
||||
Ca 4.631e-01
|
||||
Ca+2 4.610e-01 7.077e-01 -0.336 -0.150 0.186 -13.79
|
||||
CaHCO3+ 1.967e-03 1.191e-03 -2.706 -2.924 -0.218 10.08
|
||||
CaSO4 1.070e-04 5.707e-04 -3.971 -3.244 0.727 7.50
|
||||
CaCO3 1.043e-06 5.563e-06 -5.982 -5.255 0.727 -14.60
|
||||
CaOH+ 1.267e-08 6.969e-08 -7.897 -7.157 0.740 (0)
|
||||
CaHSO4+ 9.022e-10 4.961e-09 -9.045 -8.304 0.740 (0)
|
||||
Cl 6.642e+00
|
||||
Cl- 6.642e+00 4.165e+00 0.822 0.620 -0.203 20.27
|
||||
HCl 1.529e-09 1.897e-06 -8.816 -5.722 3.094 (0)
|
||||
H(0) 0.000e+00
|
||||
H2 0.000e+00 0.000e+00 -45.226 -44.499 0.727 28.61
|
||||
Mg 1.620e-01
|
||||
Mg+2 1.597e-01 5.249e-01 -0.797 -0.280 0.517 -17.22
|
||||
MgHCO3+ 1.601e-03 7.975e-04 -2.796 -3.098 -0.303 6.01
|
||||
MgSO4 6.827e-04 3.639e-03 -3.166 -2.439 0.727 5.84
|
||||
MgOH+ 1.834e-06 1.148e-06 -5.737 -5.940 -0.204 (0)
|
||||
MgCO3 4.392e-07 2.341e-06 -6.357 -5.631 0.727 -17.09
|
||||
Mg 1.634e-01
|
||||
Mg+2 1.617e-01 5.318e-01 -0.791 -0.274 0.517 -17.22
|
||||
MgHCO3+ 1.648e-03 8.210e-04 -2.783 -3.086 -0.303 6.01
|
||||
MgSO4 2.220e-05 6.314e-04 -4.654 -3.200 1.454 -0.83
|
||||
MgOH+ 1.831e-06 1.146e-06 -5.737 -5.941 -0.204 (0)
|
||||
MgCO3 4.453e-07 2.375e-06 -6.351 -5.624 0.727 -17.09
|
||||
Mg(SO4)2-2 2.494e-08 9.431e-09 -7.603 -8.025 -0.422 60.47
|
||||
Na 5.402e+00
|
||||
Na+ 5.399e+00 1.072e+01 0.732 1.030 0.298 1.52
|
||||
NaSO4- 2.748e-03 1.589e-03 -2.561 -2.799 -0.238 40.52
|
||||
NaHCO3 1.469e-04 7.829e-04 -3.833 -3.106 0.727 1.80
|
||||
NaCO3- 1.698e-07 9.333e-07 -6.770 -6.030 0.740 35.65
|
||||
NaOH 1.226e-18 6.536e-18 -17.911 -17.185 0.727 (0)
|
||||
O(0) 9.590e-05
|
||||
O2 4.795e-05 2.556e-04 -4.319 -3.592 0.727 30.40
|
||||
Na+ 5.397e+00 1.072e+01 0.732 1.030 0.298 1.52
|
||||
NaSO4- 4.504e-03 1.899e-04 -2.346 -3.721 -1.375 43.99
|
||||
NaHCO3 2.013e-05 9.457e-04 -4.696 -3.024 1.672 28.00
|
||||
NaOH 1.207e-18 6.438e-18 -17.918 -17.191 0.727 (0)
|
||||
O(0) 9.586e-05
|
||||
O2 4.793e-05 2.556e-04 -4.319 -3.592 0.727 30.40
|
||||
S(-2) 0.000e+00
|
||||
HS- 0.000e+00 0.000e+00 -141.404 -141.739 -0.335 23.12
|
||||
H2S 0.000e+00 0.000e+00 -141.410 -140.683 0.727 37.16
|
||||
S-2 0.000e+00 0.000e+00 -147.759 -148.772 -1.013 (0)
|
||||
H2S 0.000e+00 0.000e+00 -142.211 -141.484 0.727 36.27
|
||||
HS- 0.000e+00 0.000e+00 -142.212 -142.547 -0.335 23.12
|
||||
S-2 0.000e+00 0.000e+00 -148.573 -149.587 -1.013 (0)
|
||||
(H2S)2 0.000e+00 0.000e+00 -284.974 -284.247 0.727 30.09
|
||||
S(6) 4.725e-03
|
||||
NaSO4- 2.748e-03 1.589e-03 -2.561 -2.799 -0.238 40.52
|
||||
CaSO4 6.991e-04 3.727e-03 -3.155 -2.429 0.727 7.50
|
||||
MgSO4 6.827e-04 3.639e-03 -3.166 -2.439 0.727 5.84
|
||||
SO4-2 5.956e-04 2.958e-05 -3.225 -4.529 -1.304 24.57
|
||||
CaHSO4+ 5.807e-09 3.191e-08 -8.236 -7.496 0.740 (0)
|
||||
HSO4- 6.816e-10 3.746e-09 -9.166 -8.426 0.740 42.16
|
||||
NaSO4- 4.504e-03 1.899e-04 -2.346 -3.721 -1.375 43.99
|
||||
CaSO4 1.070e-04 5.707e-04 -3.971 -3.244 0.727 7.50
|
||||
SO4-2 9.132e-05 4.534e-06 -4.039 -5.343 -1.304 24.85
|
||||
MgSO4 2.220e-05 6.314e-04 -4.654 -3.200 1.454 -0.83
|
||||
Mg(SO4)2-2 2.494e-08 9.431e-09 -7.603 -8.025 -0.422 60.47
|
||||
CaHSO4+ 9.022e-10 4.961e-09 -9.045 -8.304 0.740 (0)
|
||||
HSO4- 1.060e-10 5.830e-10 -9.975 -9.234 0.740 42.16
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
|
||||
Phase SI** log IAP log K(298 K, 1 atm)
|
||||
|
||||
Anhydrite -0.40 -4.68 -4.28 CaSO4
|
||||
Anhydrite -1.22 -5.49 -4.28 CaSO4
|
||||
Aragonite -0.14 -8.48 -8.34 CaCO3
|
||||
Calcite 0.00 -8.48 -8.48 CaCO3
|
||||
CH4(g) -141.31 -144.11 -2.80 CH4
|
||||
CO2(g) -1.85 -3.31 -1.47 CO2
|
||||
Dolomite 0.00 -17.09 -17.09 CaMg(CO3)2
|
||||
Gypsum -0.31 -4.89 -4.58 CaSO4:2H2O
|
||||
CH4(g) -141.29 -144.10 -2.80 CH4
|
||||
CO2(g) -1.83 -3.30 -1.47 CO2
|
||||
Dolomite 0.00 -17.08 -17.08 CaMg(CO3)2
|
||||
Epsomite -4.62 -6.36 -1.74 MgSO4:7H2O
|
||||
Gypsum -1.12 -5.70 -4.58 CaSO4:2H2O
|
||||
H2(g) -41.40 -44.50 -3.10 H2
|
||||
H2O(g) -1.61 -0.11 1.50 H2O
|
||||
H2S(g) -139.63 -147.62 -7.99 H2S
|
||||
H2S(g) -140.49 -148.43 -7.94 H2S
|
||||
Halite 0.08 1.65 1.57 NaCl
|
||||
Hexahydrite -4.68 -6.25 -1.57 MgSO4:6H2O
|
||||
Kieserite -4.56 -5.72 -1.16 MgSO4:H2O
|
||||
Mirabilite -3.10 -4.34 -1.24 Na2SO4:10H2O
|
||||
O2(g) -0.70 -3.59 -2.89 O2
|
||||
Sulfur -104.22 -99.33 4.88 S
|
||||
Sulfur -105.02 -100.14 4.88 S
|
||||
Thenardite -2.98 -3.28 -0.30 Na2SO4
|
||||
|
||||
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
||||
For ideal gases, phi = 1.
|
||||
@ -367,9 +383,9 @@ X 1.000e+00 mol
|
||||
Equiv- Equivalent Log
|
||||
Species Moles alents Fraction Gamma
|
||||
|
||||
NaX 9.011e-01 9.011e-01 9.011e-01 0.298
|
||||
CaX2 4.058e-02 8.117e-02 8.117e-02 0.186
|
||||
MgX2 8.856e-03 1.771e-02 1.771e-02 0.517
|
||||
NaX 9.010e-01 9.010e-01 9.010e-01 0.298
|
||||
CaX2 4.053e-02 8.105e-02 8.105e-02 0.186
|
||||
MgX2 8.970e-03 1.794e-02 1.794e-02 0.517
|
||||
|
||||
------------------------------------------------------
|
||||
Beginning of initial surface-composition calculations.
|
||||
@ -380,13 +396,13 @@ Surface 1.
|
||||
Diffuse Double Layer Surface-Complexation Model
|
||||
|
||||
Surf
|
||||
5.159e-02 Surface charge, eq
|
||||
2.765e-01 sigma, C/m²
|
||||
4.058e-02 psi, V
|
||||
-1.579e+00 -F*psi/RT
|
||||
2.061e-01 exp(-F*psi/RT)
|
||||
6.000e+02 specific area, m²/g
|
||||
1.800e+04 m² for 3.000e+01 g
|
||||
5.179e-02 Surface charge, eq
|
||||
2.776e-01 sigma, C/m²
|
||||
4.071e-02 psi, V
|
||||
-1.584e+00 -F*psi/RT
|
||||
2.051e-01 exp(-F*psi/RT)
|
||||
6.000e+02 specific area, m²/g
|
||||
1.800e+04 m² for 3.000e+01 g
|
||||
|
||||
|
||||
Surf
|
||||
@ -394,12 +410,12 @@ Surf
|
||||
Mole Log
|
||||
Species Moles Fraction Molality Molality
|
||||
|
||||
SurfOH2+ 5.662e-02 0.809 5.662e-02 -1.247
|
||||
SurfOH 1.081e-02 0.154 1.081e-02 -1.966
|
||||
SurfOHAsO4-3 1.317e-03 0.019 1.317e-03 -2.880
|
||||
SurfHAsO4- 1.030e-03 0.015 1.030e-03 -2.987
|
||||
SurfH2AsO4 1.745e-04 0.002 1.745e-04 -3.758
|
||||
SurfO- 4.732e-05 0.001 4.732e-05 -4.325
|
||||
SurfOH2+ 5.673e-02 0.810 5.673e-02 -1.246
|
||||
SurfOH 1.073e-02 0.153 1.073e-02 -1.969
|
||||
SurfOHAsO4-3 1.289e-03 0.018 1.289e-03 -2.890
|
||||
SurfHAsO4- 1.028e-03 0.015 1.028e-03 -2.988
|
||||
SurfH2AsO4 1.759e-04 0.003 1.759e-04 -3.755
|
||||
SurfO- 4.649e-05 0.001 4.649e-05 -4.333
|
||||
|
||||
------------------
|
||||
End of simulation.
|
||||
@ -447,16 +463,17 @@ Initial solution 0. 20 x precipitation
|
||||
|
||||
pH = 4.600
|
||||
pe = 16.022 Equilibrium with O2(g)
|
||||
Specific Conductance (µS/cm, 25°C) = 83
|
||||
Density (g/cm³) = 0.99708
|
||||
Specific Conductance (µS/cm, 25°C) = 82
|
||||
Density (g/cm³) = 0.99708
|
||||
Volume (L) = 1.00298
|
||||
Viscosity (mPa s) = 0.89051
|
||||
Activity of water = 1.000
|
||||
Ionic strength (mol/kgw) = 1.037e-03
|
||||
Mass of water (kg) = 1.000e+00
|
||||
Total alkalinity (eq/kg) = -2.630e-05
|
||||
Total CO2 (mol/kg) = 1.096e-05
|
||||
Temperature (°C) = 25.00
|
||||
Electrical balance (eq) = 7.536e-16
|
||||
Temperature (°C) = 25.00
|
||||
Electrical balance (eq) = 7.501e-16
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
||||
Iterations = 9
|
||||
Total H = 1.110125e+02
|
||||
@ -465,7 +482,7 @@ Initial solution 0. 20 x precipitation
|
||||
----------------------------Distribution of species----------------------------
|
||||
|
||||
Log Log Log mole V
|
||||
Species Molality Activity Molality Activity Gamma cm³/mol
|
||||
Species Molality Activity Molality Activity Gamma cm³/mol
|
||||
|
||||
H+ 2.600e-05 2.512e-05 -4.585 -4.600 -0.015 0.00
|
||||
OH- 4.179e-10 4.029e-10 -9.379 -9.395 -0.016 -4.11
|
||||
@ -474,51 +491,53 @@ C(-4) 0.000e+00
|
||||
CH4 0.000e+00 0.000e+00 -145.553 -145.553 0.000 35.46
|
||||
C(4) 1.096e-05
|
||||
CO2 1.076e-05 1.076e-05 -4.968 -4.968 0.000 34.43
|
||||
HCO3- 1.975e-07 1.906e-07 -6.704 -6.720 -0.016 24.68
|
||||
HCO3- 1.975e-07 1.906e-07 -6.704 -6.720 -0.016 24.55
|
||||
CaHCO3+ 4.061e-10 3.919e-10 -9.391 -9.407 -0.015 9.67
|
||||
MgHCO3+ 6.903e-11 6.657e-11 -10.161 -10.177 -0.016 5.48
|
||||
NaHCO3 1.267e-11 1.267e-11 -10.897 -10.897 0.000 1.80
|
||||
MgHCO3+ 6.871e-11 6.627e-11 -10.163 -10.179 -0.016 5.48
|
||||
NaHCO3 1.506e-11 1.507e-11 -10.822 -10.822 0.000 28.00
|
||||
(CO2)2 2.126e-12 2.127e-12 -11.672 -11.672 0.000 68.87
|
||||
CO3-2 4.106e-13 3.559e-13 -12.387 -12.449 -0.062 -5.27
|
||||
CaCO3 9.631e-14 9.634e-14 -13.016 -13.016 0.000 -14.60
|
||||
MgCO3 1.013e-14 1.014e-14 -13.994 -13.994 0.000 -17.09
|
||||
NaCO3- 8.122e-16 7.833e-16 -15.090 -15.106 -0.016 -1.03
|
||||
CO3-2 4.106e-13 3.558e-13 -12.387 -12.449 -0.062 -4.07
|
||||
CaCO3 9.631e-14 9.633e-14 -13.016 -13.016 0.000 -14.60
|
||||
MgCO3 1.009e-14 1.009e-14 -13.996 -13.996 0.000 -17.09
|
||||
Ca 1.916e-04
|
||||
Ca+2 1.860e-04 1.612e-04 -3.731 -3.793 -0.062 -18.14
|
||||
CaSO4 5.643e-06 5.644e-06 -5.248 -5.248 0.000 7.50
|
||||
CaHSO4+ 9.664e-10 9.319e-10 -9.015 -9.031 -0.016 (0)
|
||||
CaSO4 5.640e-06 5.642e-06 -5.249 -5.249 0.000 7.50
|
||||
CaHSO4+ 9.659e-10 9.315e-10 -9.015 -9.031 -0.016 (0)
|
||||
CaHCO3+ 4.061e-10 3.919e-10 -9.391 -9.407 -0.015 9.67
|
||||
CaOH+ 1.104e-12 1.065e-12 -11.957 -11.973 -0.016 (0)
|
||||
CaCO3 9.631e-14 9.634e-14 -13.016 -13.016 0.000 -14.60
|
||||
CaCO3 9.631e-14 9.633e-14 -13.016 -13.016 0.000 -14.60
|
||||
Cl 1.337e-04
|
||||
Cl- 1.337e-04 1.289e-04 -3.874 -3.890 -0.016 18.08
|
||||
HCl 1.114e-09 1.116e-09 -8.953 -8.952 0.000 (0)
|
||||
H(0) 0.000e+00
|
||||
H2 0.000e+00 0.000e+00 -44.394 -44.394 0.000 28.61
|
||||
Mg 3.580e-05
|
||||
Mg+2 3.442e-05 2.985e-05 -4.463 -4.525 -0.062 -21.82
|
||||
MgSO4 1.378e-06 1.378e-06 -5.861 -5.861 0.000 5.84
|
||||
MgHCO3+ 6.903e-11 6.657e-11 -10.161 -10.177 -0.016 5.48
|
||||
MgOH+ 4.470e-12 4.314e-12 -11.350 -11.365 -0.015 (0)
|
||||
MgCO3 1.013e-14 1.014e-14 -13.994 -13.994 0.000 -17.09
|
||||
Mg+2 3.426e-05 2.972e-05 -4.465 -4.527 -0.062 -21.82
|
||||
MgSO4 1.531e-06 1.532e-06 -5.815 -5.815 0.000 -0.83
|
||||
Mg(SO4)2-2 1.143e-09 9.931e-10 -8.942 -9.003 -0.061 34.98
|
||||
MgHCO3+ 6.871e-11 6.627e-11 -10.163 -10.179 -0.016 5.48
|
||||
MgOH+ 4.450e-12 4.295e-12 -11.352 -11.367 -0.015 (0)
|
||||
MgCO3 1.009e-14 1.009e-14 -13.996 -13.996 0.000 -17.09
|
||||
Na 1.227e-04
|
||||
Na+ 1.225e-04 1.182e-04 -3.912 -3.927 -0.016 -1.48
|
||||
NaSO4- 1.209e-07 1.167e-07 -6.917 -6.933 -0.016 13.74
|
||||
NaHCO3 1.267e-11 1.267e-11 -10.897 -10.897 0.000 1.80
|
||||
NaCO3- 8.122e-16 7.833e-16 -15.090 -15.106 -0.016 -1.03
|
||||
NaOH 4.762e-24 4.763e-24 -23.322 -23.322 0.000 (0)
|
||||
Na+ 1.226e-04 1.182e-04 -3.912 -3.927 -0.016 -1.48
|
||||
NaSO4- 9.443e-08 9.092e-08 -7.025 -7.041 -0.016 14.54
|
||||
NaHCO3 1.506e-11 1.507e-11 -10.822 -10.822 0.000 28.00
|
||||
NaOH 4.763e-24 4.764e-24 -23.322 -23.322 0.000 (0)
|
||||
O(0) 5.111e-04
|
||||
O2 2.555e-04 2.556e-04 -3.593 -3.592 0.000 30.40
|
||||
S(-2) 0.000e+00
|
||||
H2S 0.000e+00 0.000e+00 -137.289 -137.289 0.000 37.16
|
||||
H2S 0.000e+00 0.000e+00 -137.289 -137.289 0.000 36.27
|
||||
HS- 0.000e+00 0.000e+00 -139.615 -139.631 -0.016 20.60
|
||||
S-2 0.000e+00 0.000e+00 -147.886 -147.949 -0.062 (0)
|
||||
S-2 0.000e+00 0.000e+00 -147.887 -147.949 -0.062 (0)
|
||||
(H2S)2 0.000e+00 0.000e+00 -275.857 -275.857 0.000 30.09
|
||||
S(6) 2.351e-04
|
||||
SO4-2 2.274e-04 1.970e-04 -3.643 -3.706 -0.062 14.51
|
||||
CaSO4 5.643e-06 5.644e-06 -5.248 -5.248 0.000 7.50
|
||||
MgSO4 1.378e-06 1.378e-06 -5.861 -5.861 0.000 5.84
|
||||
HSO4- 4.988e-07 4.810e-07 -6.302 -6.318 -0.016 40.28
|
||||
NaSO4- 1.209e-07 1.167e-07 -6.917 -6.933 -0.016 13.74
|
||||
CaHSO4+ 9.664e-10 9.319e-10 -9.015 -9.031 -0.016 (0)
|
||||
SO4-2 2.273e-04 1.969e-04 -3.643 -3.706 -0.062 14.79
|
||||
CaSO4 5.640e-06 5.642e-06 -5.249 -5.249 0.000 7.50
|
||||
MgSO4 1.531e-06 1.532e-06 -5.815 -5.815 0.000 -0.83
|
||||
HSO4- 4.985e-07 4.808e-07 -6.302 -6.318 -0.016 40.28
|
||||
NaSO4- 9.443e-08 9.092e-08 -7.025 -7.041 -0.016 14.54
|
||||
Mg(SO4)2-2 1.143e-09 9.931e-10 -8.942 -9.003 -0.061 34.98
|
||||
CaHSO4+ 9.659e-10 9.315e-10 -9.015 -9.031 -0.016 (0)
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
|
||||
@ -529,14 +548,19 @@ S(6) 2.351e-04
|
||||
Calcite -7.76 -16.24 -8.48 CaCO3
|
||||
CH4(g) -142.75 -145.55 -2.80 CH4
|
||||
CO2(g) -3.50 -4.97 -1.47 CO2
|
||||
Dolomite -16.13 -33.22 -17.09 CaMg(CO3)2
|
||||
Dolomite -16.13 -33.22 -17.08 CaMg(CO3)2
|
||||
Epsomite -6.49 -8.23 -1.74 MgSO4:7H2O
|
||||
Gypsum -2.92 -7.50 -4.58 CaSO4:2H2O
|
||||
H2(g) -41.29 -44.39 -3.10 H2
|
||||
H2O(g) -1.50 -0.00 1.50 H2O
|
||||
H2S(g) -136.24 -144.23 -7.99 H2S
|
||||
H2S(g) -136.29 -144.23 -7.94 H2S
|
||||
Halite -9.39 -7.82 1.57 NaCl
|
||||
Hexahydrite -6.67 -8.23 -1.57 MgSO4:6H2O
|
||||
Kieserite -7.07 -8.23 -1.16 MgSO4:H2O
|
||||
Mirabilite -10.32 -11.56 -1.24 Na2SO4:10H2O
|
||||
O2(g) -0.70 -3.59 -2.89 O2 Pressure 0.2 atm, phi 1.000
|
||||
Sulfur -100.93 -96.05 4.88 S
|
||||
Thenardite -11.26 -11.56 -0.30 Na2SO4
|
||||
|
||||
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
||||
For ideal gases, phi = 1.
|
||||
@ -555,115 +579,123 @@ Using pure phase assemblage 0.
|
||||
Moles in assemblage
|
||||
Phase SI log IAP log K(T, P) Initial Final Delta
|
||||
|
||||
CO2(g) -1.50 -2.97 -1.47 1.000e+01 9.996e+00 -4.065e-03
|
||||
Calcite 0.00 -8.48 -8.48 1.000e-01 9.966e-02 -3.411e-04
|
||||
Dolomite 0.00 -17.09 -17.09 1.600e+00 1.599e+00 -1.350e-03
|
||||
CO2(g) -1.50 -2.97 -1.47 1.000e+01 9.996e+00 -4.073e-03
|
||||
Calcite 0.00 -8.48 -8.48 1.000e-01 9.968e-02 -3.160e-04
|
||||
Dolomite 0.00 -17.08 -17.08 1.600e+00 1.599e+00 -1.366e-03
|
||||
|
||||
-----------------------------Solution composition------------------------------
|
||||
|
||||
Elements Molality Moles
|
||||
|
||||
C 7.117e-03 7.117e-03
|
||||
Ca 1.883e-03 1.883e-03
|
||||
C 7.132e-03 7.132e-03
|
||||
Ca 1.874e-03 1.874e-03
|
||||
Cl 1.337e-04 1.337e-04
|
||||
Mg 1.386e-03 1.386e-03
|
||||
Mg 1.402e-03 1.402e-03
|
||||
Na 1.227e-04 1.227e-04
|
||||
S 2.351e-04 2.351e-04
|
||||
|
||||
----------------------------Description of solution----------------------------
|
||||
|
||||
pH = 7.047 Charge balance
|
||||
pe = 13.575 Adjusted to redox equilibrium
|
||||
Specific Conductance (µS/cm, 25°C) = 575
|
||||
Density (g/cm³) = 0.99747
|
||||
pH = 7.048 Charge balance
|
||||
pe = 13.574 Adjusted to redox equilibrium
|
||||
Specific Conductance (µS/cm, 25°C) = 588
|
||||
Density (g/cm³) = 0.99747
|
||||
Volume (L) = 1.00305
|
||||
Viscosity (mPa s) = 0.89326
|
||||
Activity of water = 1.000
|
||||
Ionic strength (mol/kgw) = 9.638e-03
|
||||
Ionic strength (mol/kgw) = 9.649e-03
|
||||
Mass of water (kg) = 9.999e-01
|
||||
Total alkalinity (eq/kg) = 6.056e-03
|
||||
Total CO2 (mol/kg) = 7.117e-03
|
||||
Temperature (°C) = 25.00
|
||||
Electrical balance (eq) = 2.056e-15
|
||||
Total alkalinity (eq/kg) = 6.070e-03
|
||||
Total CO2 (mol/kg) = 7.132e-03
|
||||
Temperature (°C) = 25.00
|
||||
Electrical balance (eq) = 2.096e-15
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
||||
Iterations = 9
|
||||
Total H = 1.110125e+02
|
||||
Total O = 5.552494e+01
|
||||
Total O = 5.552498e+01
|
||||
|
||||
----------------------------Distribution of species----------------------------
|
||||
|
||||
Log Log Log mole V
|
||||
Species Molality Activity Molality Activity Gamma cm³/mol
|
||||
Species Molality Activity Molality Activity Gamma cm³/mol
|
||||
|
||||
OH- 1.251e-07 1.128e-07 -6.903 -6.948 -0.045 -4.04
|
||||
H+ 9.812e-08 8.974e-08 -7.008 -7.047 -0.039 0.00
|
||||
OH- 1.254e-07 1.130e-07 -6.902 -6.947 -0.045 -4.04
|
||||
H+ 9.790e-08 8.953e-08 -7.009 -7.048 -0.039 0.00
|
||||
H2O 5.551e+01 9.998e-01 1.744 -0.000 0.000 18.07
|
||||
C(-4) 0.000e+00
|
||||
CH4 0.000e+00 0.000e+00 -143.556 -143.555 0.001 35.46
|
||||
C(4) 7.117e-03
|
||||
HCO3- 5.881e-03 5.331e-03 -2.231 -2.273 -0.043 24.77
|
||||
CO2 1.073e-03 1.076e-03 -2.969 -2.968 0.001 34.43
|
||||
CaHCO3+ 8.907e-05 8.087e-05 -4.050 -4.092 -0.042 9.72
|
||||
MgHCO3+ 6.084e-05 5.494e-05 -4.216 -4.260 -0.044 5.53
|
||||
CaCO3 5.553e-06 5.565e-06 -5.256 -5.255 0.001 -14.60
|
||||
CO3-2 4.127e-06 2.786e-06 -5.384 -5.555 -0.171 -5.02
|
||||
MgCO3 2.336e-06 2.341e-06 -5.631 -5.631 0.001 -17.09
|
||||
NaHCO3 3.309e-07 3.316e-07 -6.480 -6.479 0.001 1.80
|
||||
C(4) 7.132e-03
|
||||
HCO3- 5.895e-03 5.344e-03 -2.229 -2.272 -0.043 24.65
|
||||
CO2 1.074e-03 1.076e-03 -2.969 -2.968 0.001 34.43
|
||||
CaHCO3+ 8.885e-05 8.066e-05 -4.051 -4.093 -0.042 9.72
|
||||
MgHCO3+ 6.157e-05 5.559e-05 -4.211 -4.255 -0.044 5.53
|
||||
CaCO3 5.551e-06 5.563e-06 -5.256 -5.255 0.001 -14.60
|
||||
CO3-2 4.146e-06 2.799e-06 -5.382 -5.553 -0.171 -3.79
|
||||
MgCO3 2.369e-06 2.375e-06 -5.625 -5.624 0.001 -17.09
|
||||
NaHCO3 3.930e-07 3.951e-07 -6.406 -6.403 0.002 28.00
|
||||
(CO2)2 2.120e-08 2.125e-08 -7.674 -7.673 0.001 68.87
|
||||
NaCO3- 6.353e-09 5.739e-09 -8.197 -8.241 -0.044 -0.93
|
||||
Ca 1.883e-03
|
||||
Ca+2 1.762e-03 1.189e-03 -2.754 -2.925 -0.171 -17.93
|
||||
CaHCO3+ 8.907e-05 8.087e-05 -4.050 -4.092 -0.042 9.72
|
||||
CaSO4 2.601e-05 2.607e-05 -4.585 -4.584 0.001 7.50
|
||||
CaCO3 5.553e-06 5.565e-06 -5.256 -5.255 0.001 -14.60
|
||||
CaOH+ 2.433e-09 2.198e-09 -8.614 -8.658 -0.044 (0)
|
||||
CaHSO4+ 1.702e-11 1.538e-11 -10.769 -10.813 -0.044 (0)
|
||||
Ca 1.874e-03
|
||||
Ca+2 1.754e-03 1.183e-03 -2.756 -2.927 -0.171 -17.93
|
||||
CaHCO3+ 8.885e-05 8.066e-05 -4.051 -4.093 -0.042 9.72
|
||||
CaSO4 2.555e-05 2.560e-05 -4.593 -4.592 0.001 7.50
|
||||
CaCO3 5.551e-06 5.563e-06 -5.256 -5.255 0.001 -14.60
|
||||
CaOH+ 2.427e-09 2.193e-09 -8.615 -8.659 -0.044 (0)
|
||||
CaHSO4+ 1.668e-11 1.507e-11 -10.778 -10.822 -0.044 (0)
|
||||
Cl 1.337e-04
|
||||
Cl- 1.337e-04 1.206e-04 -3.874 -3.918 -0.045 18.14
|
||||
Cl- 1.337e-04 1.206e-04 -3.874 -3.919 -0.045 18.14
|
||||
HCl 3.686e-12 3.721e-12 -11.433 -11.429 0.004 (0)
|
||||
H(0) 0.000e+00
|
||||
H2 0.000e+00 0.000e+00 -44.395 -44.394 0.001 28.61
|
||||
Mg 1.386e-03
|
||||
Mg+2 1.297e-03 8.807e-04 -2.887 -3.055 -0.168 -21.62
|
||||
MgHCO3+ 6.084e-05 5.494e-05 -4.216 -4.260 -0.044 5.53
|
||||
MgSO4 2.540e-05 2.546e-05 -4.595 -4.594 0.001 5.84
|
||||
MgCO3 2.336e-06 2.341e-06 -5.631 -5.631 0.001 -17.09
|
||||
MgOH+ 3.919e-08 3.563e-08 -7.407 -7.448 -0.041 (0)
|
||||
Mg 1.402e-03
|
||||
Mg+2 1.310e-03 8.890e-04 -2.883 -3.051 -0.168 -21.62
|
||||
MgHCO3+ 6.157e-05 5.559e-05 -4.211 -4.255 -0.044 5.53
|
||||
MgSO4 2.820e-05 2.833e-05 -4.550 -4.548 0.002 -0.83
|
||||
MgCO3 2.369e-06 2.375e-06 -5.625 -5.624 0.001 -17.09
|
||||
MgOH+ 3.965e-08 3.605e-08 -7.402 -7.443 -0.041 (0)
|
||||
Mg(SO4)2-2 1.653e-08 1.136e-08 -7.782 -7.945 -0.163 38.49
|
||||
Na 1.227e-04
|
||||
Na+ 1.223e-04 1.106e-04 -3.913 -3.956 -0.043 -1.38
|
||||
NaHCO3 3.309e-07 3.316e-07 -6.480 -6.479 0.001 1.80
|
||||
NaSO4- 7.541e-08 6.836e-08 -7.123 -7.165 -0.043 14.31
|
||||
NaCO3- 6.353e-09 5.739e-09 -8.197 -8.241 -0.044 -0.93
|
||||
NaOH 1.245e-21 1.247e-21 -20.905 -20.904 0.001 (0)
|
||||
Na+ 1.222e-04 1.106e-04 -3.913 -3.956 -0.043 -1.38
|
||||
NaHCO3 3.930e-07 3.951e-07 -6.406 -6.403 0.002 28.00
|
||||
NaSO4- 5.900e-08 5.257e-08 -7.229 -7.279 -0.050 14.84
|
||||
NaOH 1.247e-21 1.250e-21 -20.904 -20.903 0.001 (0)
|
||||
O(0) 5.111e-04
|
||||
O2 2.556e-04 2.561e-04 -3.593 -3.592 0.001 30.40
|
||||
S(-2) 0.000e+00
|
||||
HS- 0.000e+00 0.000e+00 -142.238 -142.283 -0.045 20.67
|
||||
H2S 0.000e+00 0.000e+00 -142.389 -142.388 0.001 37.16
|
||||
S-2 0.000e+00 0.000e+00 -147.981 -148.154 -0.172 (0)
|
||||
HS- 0.000e+00 0.000e+00 -142.245 -142.290 -0.045 20.67
|
||||
H2S 0.000e+00 0.000e+00 -142.397 -142.396 0.001 36.27
|
||||
S-2 0.000e+00 0.000e+00 -147.987 -148.160 -0.173 (0)
|
||||
(H2S)2 0.000e+00 0.000e+00 -286.071 -286.070 0.001 30.09
|
||||
S(6) 2.351e-04
|
||||
SO4-2 1.836e-04 1.233e-04 -3.736 -3.909 -0.173 14.76
|
||||
CaSO4 2.601e-05 2.607e-05 -4.585 -4.584 0.001 7.50
|
||||
MgSO4 2.540e-05 2.546e-05 -4.595 -4.594 0.001 5.84
|
||||
NaSO4- 7.541e-08 6.836e-08 -7.123 -7.165 -0.043 14.31
|
||||
HSO4- 1.191e-09 1.076e-09 -8.924 -8.968 -0.044 40.34
|
||||
CaHSO4+ 1.702e-11 1.538e-11 -10.769 -10.813 -0.044 (0)
|
||||
SO4-2 1.812e-04 1.217e-04 -3.742 -3.915 -0.173 15.04
|
||||
MgSO4 2.820e-05 2.833e-05 -4.550 -4.548 0.002 -0.83
|
||||
CaSO4 2.555e-05 2.560e-05 -4.593 -4.592 0.001 7.50
|
||||
NaSO4- 5.900e-08 5.257e-08 -7.229 -7.279 -0.050 14.84
|
||||
Mg(SO4)2-2 1.653e-08 1.136e-08 -7.782 -7.945 -0.163 38.49
|
||||
HSO4- 1.173e-09 1.059e-09 -8.931 -8.975 -0.044 40.34
|
||||
CaHSO4+ 1.668e-11 1.507e-11 -10.778 -10.822 -0.044 (0)
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
|
||||
Phase SI** log IAP log K(298 K, 1 atm)
|
||||
|
||||
Anhydrite -2.56 -6.83 -4.28 CaSO4
|
||||
Anhydrite -2.56 -6.84 -4.28 CaSO4
|
||||
Aragonite -0.14 -8.48 -8.34 CaCO3
|
||||
Calcite 0.00 -8.48 -8.48 CaCO3
|
||||
CH4(g) -140.75 -143.56 -2.80 CH4
|
||||
CO2(g) -1.50 -2.97 -1.47 CO2 Pressure 0.0 atm, phi 1.000
|
||||
Dolomite 0.00 -17.09 -17.09 CaMg(CO3)2
|
||||
Gypsum -2.25 -6.83 -4.58 CaSO4:2H2O
|
||||
Dolomite 0.00 -17.08 -17.08 CaMg(CO3)2
|
||||
Epsomite -5.23 -6.97 -1.74 MgSO4:7H2O
|
||||
Gypsum -2.26 -6.84 -4.58 CaSO4:2H2O
|
||||
H2(g) -41.29 -44.39 -3.10 H2
|
||||
H2O(g) -1.50 -0.00 1.50 H2O
|
||||
H2S(g) -141.34 -149.33 -7.99 H2S
|
||||
H2S(g) -141.40 -149.34 -7.94 H2S
|
||||
Halite -9.44 -7.87 1.57 NaCl
|
||||
Hexahydrite -5.40 -6.97 -1.57 MgSO4:6H2O
|
||||
Kieserite -5.80 -6.97 -1.16 MgSO4:H2O
|
||||
Mirabilite -10.59 -11.83 -1.24 Na2SO4:10H2O
|
||||
O2(g) -0.70 -3.59 -2.89 O2
|
||||
Sulfur -106.03 -101.14 4.88 S
|
||||
Sulfur -106.03 -101.15 4.88 S
|
||||
Thenardite -11.53 -11.83 -0.30 Na2SO4
|
||||
|
||||
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
||||
For ideal gases, phi = 1.
|
||||
@ -911,20 +943,20 @@ Using pure phase assemblage 1. Pure-phase assemblage after simulation 5.
|
||||
Phase SI log IAP log K(T, P) Initial Final Delta
|
||||
|
||||
Calcite -0.00 -8.48 -8.48 0.000e+00 0 0.000e+00
|
||||
Dolomite 0.00 -17.09 -17.09 1.568e+00 1.568e+00 3.623e-07
|
||||
Dolomite 0.00 -17.08 -17.08 1.569e+00 1.569e+00 3.047e-07
|
||||
|
||||
------------------------------Surface composition------------------------------
|
||||
|
||||
Diffuse Double Layer Surface-Complexation Model
|
||||
|
||||
Surf
|
||||
2.268e-03 Surface charge, eq
|
||||
1.216e-02 sigma, C/m²
|
||||
4.728e-02 psi, V
|
||||
-1.840e+00 -F*psi/RT
|
||||
1.587e-01 exp(-F*psi/RT)
|
||||
6.000e+02 specific area, m²/g
|
||||
1.800e+04 m² for 3.000e+01 g
|
||||
2.274e-03 Surface charge, eq
|
||||
1.219e-02 sigma, C/m²
|
||||
4.736e-02 psi, V
|
||||
-1.843e+00 -F*psi/RT
|
||||
1.583e-01 exp(-F*psi/RT)
|
||||
6.000e+02 specific area, m²/g
|
||||
1.800e+04 m² for 3.000e+01 g
|
||||
|
||||
|
||||
Surf
|
||||
@ -932,12 +964,12 @@ Surf
|
||||
Mole Log
|
||||
Species Moles Fraction Molality Molality
|
||||
|
||||
SurfOH 4.963e-02 0.709 4.963e-02 -1.304
|
||||
SurfOH2+ 1.380e-02 0.197 1.380e-02 -1.860
|
||||
SurfO- 4.090e-03 0.058 4.090e-03 -2.388
|
||||
SurfOHAsO4-3 2.478e-03 0.035 2.478e-03 -2.606
|
||||
SurfHAsO4- 4.289e-06 0.000 4.289e-06 -5.368
|
||||
SurfH2AsO4 3.858e-08 0.000 3.858e-08 -7.414
|
||||
SurfOH 4.969e-02 0.710 4.969e-02 -1.304
|
||||
SurfOH2+ 1.374e-02 0.196 1.374e-02 -1.862
|
||||
SurfO- 4.117e-03 0.059 4.117e-03 -2.385
|
||||
SurfOHAsO4-3 2.448e-03 0.035 2.448e-03 -2.611
|
||||
SurfHAsO4- 4.191e-06 0.000 4.191e-06 -5.378
|
||||
SurfH2AsO4 3.750e-08 0.000 3.750e-08 -7.426
|
||||
|
||||
-----------------------------Exchange composition------------------------------
|
||||
|
||||
@ -946,121 +978,129 @@ X 1.000e+00 mol
|
||||
Equiv- Equivalent Log
|
||||
Species Moles alents Fraction Gamma
|
||||
|
||||
CaX2 3.393e-01 6.785e-01 6.785e-01 -0.171
|
||||
MgX2 1.603e-01 3.205e-01 3.205e-01 -0.168
|
||||
NaX 9.588e-04 9.588e-04 9.588e-04 -0.043
|
||||
CaX2 3.379e-01 6.758e-01 6.758e-01 -0.171
|
||||
MgX2 1.616e-01 3.232e-01 3.232e-01 -0.168
|
||||
NaX 9.585e-04 9.585e-04 9.585e-04 -0.043
|
||||
|
||||
-----------------------------Solution composition------------------------------
|
||||
|
||||
Elements Molality Moles
|
||||
|
||||
As 3.594e-10 3.593e-10
|
||||
C 7.117e-03 7.116e-03
|
||||
Ca 1.869e-03 1.869e-03
|
||||
As 3.503e-10 3.503e-10
|
||||
C 7.132e-03 7.131e-03
|
||||
Ca 1.862e-03 1.861e-03
|
||||
Cl 1.337e-04 1.337e-04
|
||||
Mg 1.399e-03 1.399e-03
|
||||
Mg 1.414e-03 1.414e-03
|
||||
Na 1.227e-04 1.227e-04
|
||||
S 2.351e-04 2.351e-04
|
||||
|
||||
----------------------------Description of solution----------------------------
|
||||
|
||||
pH = 7.047 Charge balance
|
||||
pe = 13.575 Adjusted to redox equilibrium
|
||||
Specific Conductance (µS/cm, 25°C) = 575
|
||||
Density (g/cm³) = 0.99747
|
||||
pH = 7.048 Charge balance
|
||||
pe = 13.574 Adjusted to redox equilibrium
|
||||
Specific Conductance (µS/cm, 25°C) = 588
|
||||
Density (g/cm³) = 0.99747
|
||||
Volume (L) = 1.00305
|
||||
Viscosity (mPa s) = 0.89326
|
||||
Activity of water = 1.000
|
||||
Ionic strength (mol/kgw) = 9.636e-03
|
||||
Ionic strength (mol/kgw) = 9.647e-03
|
||||
Mass of water (kg) = 9.999e-01
|
||||
Total alkalinity (eq/kg) = 6.054e-03
|
||||
Total CO2 (mol/kg) = 7.117e-03
|
||||
Temperature (°C) = 25.00
|
||||
Electrical balance (eq) = 6.817e-09
|
||||
Total alkalinity (eq/kg) = 6.069e-03
|
||||
Total CO2 (mol/kg) = 7.132e-03
|
||||
Temperature (°C) = 25.00
|
||||
Electrical balance (eq) = 5.593e-09
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
||||
Iterations = 13
|
||||
Total H = 1.110125e+02
|
||||
Total O = 5.552494e+01
|
||||
Total O = 5.552498e+01
|
||||
|
||||
----------------------------Distribution of species----------------------------
|
||||
|
||||
Log Log Log mole V
|
||||
Species Molality Activity Molality Activity Gamma cm³/mol
|
||||
Species Molality Activity Molality Activity Gamma cm³/mol
|
||||
|
||||
OH- 1.250e-07 1.127e-07 -6.903 -6.948 -0.045 -4.04
|
||||
H+ 9.821e-08 8.981e-08 -7.008 -7.047 -0.039 0.00
|
||||
OH- 1.253e-07 1.129e-07 -6.902 -6.947 -0.045 -4.04
|
||||
H+ 9.797e-08 8.960e-08 -7.009 -7.048 -0.039 0.00
|
||||
H2O 5.551e+01 9.998e-01 1.744 -0.000 0.000 18.07
|
||||
As 3.594e-10
|
||||
HAsO4-2 2.240e-10 1.492e-10 -9.650 -9.826 -0.176 (0)
|
||||
H2AsO4- 1.353e-10 1.222e-10 -9.869 -9.913 -0.044 (0)
|
||||
AsO4-3 1.311e-14 5.254e-15 -13.882 -14.279 -0.397 (0)
|
||||
H3AsO4 1.904e-15 1.908e-15 -14.720 -14.719 0.001 (0)
|
||||
As 3.503e-10
|
||||
HAsO4-2 2.186e-10 1.456e-10 -9.660 -9.837 -0.177 (0)
|
||||
H2AsO4- 1.317e-10 1.190e-10 -9.880 -9.925 -0.044 (0)
|
||||
AsO4-3 1.282e-14 5.138e-15 -13.892 -14.289 -0.397 (0)
|
||||
H3AsO4 1.848e-15 1.852e-15 -14.733 -14.732 0.001 (0)
|
||||
C(-4) 0.000e+00
|
||||
CH4 0.000e+00 0.000e+00 -143.556 -143.555 0.001 35.46
|
||||
C(4) 7.117e-03
|
||||
HCO3- 5.880e-03 5.330e-03 -2.231 -2.273 -0.043 24.77
|
||||
CO2 1.074e-03 1.077e-03 -2.969 -2.968 0.001 34.43
|
||||
CaHCO3+ 8.840e-05 8.026e-05 -4.054 -4.096 -0.042 9.72
|
||||
MgHCO3+ 6.141e-05 5.545e-05 -4.212 -4.256 -0.044 5.53
|
||||
CaCO3 5.506e-06 5.518e-06 -5.259 -5.258 0.001 -14.60
|
||||
CO3-2 4.122e-06 2.783e-06 -5.385 -5.555 -0.171 -5.02
|
||||
MgCO3 2.356e-06 2.361e-06 -5.628 -5.627 0.001 -17.09
|
||||
NaHCO3 3.309e-07 3.316e-07 -6.480 -6.479 0.001 1.80
|
||||
(CO2)2 2.123e-08 2.127e-08 -7.673 -7.672 0.001 68.87
|
||||
NaCO3- 6.347e-09 5.734e-09 -8.197 -8.242 -0.044 -0.93
|
||||
Ca 1.869e-03
|
||||
Ca+2 1.749e-03 1.180e-03 -2.757 -2.928 -0.171 -17.93
|
||||
CaHCO3+ 8.840e-05 8.026e-05 -4.054 -4.096 -0.042 9.72
|
||||
CaSO4 2.582e-05 2.587e-05 -4.588 -4.587 0.001 7.50
|
||||
CaCO3 5.506e-06 5.518e-06 -5.259 -5.258 0.001 -14.60
|
||||
CaOH+ 2.413e-09 2.180e-09 -8.617 -8.661 -0.044 (0)
|
||||
CaHSO4+ 1.691e-11 1.527e-11 -10.772 -10.816 -0.044 (0)
|
||||
C(4) 7.132e-03
|
||||
HCO3- 5.894e-03 5.343e-03 -2.230 -2.272 -0.043 24.65
|
||||
CO2 1.075e-03 1.076e-03 -2.969 -2.968 0.001 34.43
|
||||
CaHCO3+ 8.825e-05 8.012e-05 -4.054 -4.096 -0.042 9.72
|
||||
MgHCO3+ 6.207e-05 5.604e-05 -4.207 -4.251 -0.044 5.53
|
||||
CaCO3 5.510e-06 5.522e-06 -5.259 -5.258 0.001 -14.60
|
||||
CO3-2 4.143e-06 2.797e-06 -5.383 -5.553 -0.171 -3.79
|
||||
MgCO3 2.387e-06 2.392e-06 -5.622 -5.621 0.001 -17.09
|
||||
NaHCO3 3.930e-07 3.951e-07 -6.406 -6.403 0.002 28.00
|
||||
(CO2)2 2.122e-08 2.127e-08 -7.673 -7.672 0.001 68.87
|
||||
Ca 1.862e-03
|
||||
Ca+2 1.742e-03 1.175e-03 -2.759 -2.930 -0.171 -17.93
|
||||
CaHCO3+ 8.825e-05 8.012e-05 -4.054 -4.096 -0.042 9.72
|
||||
CaSO4 2.537e-05 2.543e-05 -4.596 -4.595 0.001 7.50
|
||||
CaCO3 5.510e-06 5.522e-06 -5.259 -5.258 0.001 -14.60
|
||||
CaOH+ 2.410e-09 2.177e-09 -8.618 -8.662 -0.044 (0)
|
||||
CaHSO4+ 1.658e-11 1.498e-11 -10.780 -10.825 -0.044 (0)
|
||||
Cl 1.337e-04
|
||||
Cl- 1.337e-04 1.206e-04 -3.874 -3.918 -0.045 18.14
|
||||
Cl- 1.337e-04 1.206e-04 -3.874 -3.919 -0.045 18.14
|
||||
HCl 3.688e-12 3.723e-12 -11.433 -11.429 0.004 (0)
|
||||
H(0) 0.000e+00
|
||||
H2 0.000e+00 0.000e+00 -44.395 -44.394 0.001 28.61
|
||||
Mg 1.399e-03
|
||||
Mg+2 1.310e-03 8.891e-04 -2.883 -3.051 -0.168 -21.62
|
||||
MgHCO3+ 6.141e-05 5.545e-05 -4.212 -4.256 -0.044 5.53
|
||||
MgSO4 2.564e-05 2.569e-05 -4.591 -4.590 0.001 5.84
|
||||
MgCO3 2.356e-06 2.361e-06 -5.628 -5.627 0.001 -17.09
|
||||
MgOH+ 3.953e-08 3.593e-08 -7.403 -7.444 -0.041 (0)
|
||||
Mg 1.414e-03
|
||||
Mg+2 1.321e-03 8.965e-04 -2.879 -3.047 -0.168 -21.62
|
||||
MgHCO3+ 6.207e-05 5.604e-05 -4.207 -4.251 -0.044 5.53
|
||||
MgSO4 2.843e-05 2.856e-05 -4.546 -4.544 0.002 -0.83
|
||||
MgCO3 2.387e-06 2.392e-06 -5.622 -5.621 0.001 -17.09
|
||||
MgOH+ 3.996e-08 3.632e-08 -7.398 -7.440 -0.041 (0)
|
||||
Mg(SO4)2-2 1.666e-08 1.144e-08 -7.778 -7.941 -0.163 38.49
|
||||
Na 1.227e-04
|
||||
Na+ 1.223e-04 1.106e-04 -3.913 -3.956 -0.043 -1.38
|
||||
NaHCO3 3.309e-07 3.316e-07 -6.480 -6.479 0.001 1.80
|
||||
NaSO4- 7.541e-08 6.836e-08 -7.123 -7.165 -0.043 14.31
|
||||
NaCO3- 6.347e-09 5.734e-09 -8.197 -8.242 -0.044 -0.93
|
||||
NaOH 1.244e-21 1.247e-21 -20.905 -20.904 0.001 (0)
|
||||
Na+ 1.222e-04 1.106e-04 -3.913 -3.956 -0.043 -1.38
|
||||
NaHCO3 3.930e-07 3.951e-07 -6.406 -6.403 0.002 28.00
|
||||
NaSO4- 5.899e-08 5.256e-08 -7.229 -7.279 -0.050 14.84
|
||||
NaOH 1.246e-21 1.249e-21 -20.904 -20.903 0.001 (0)
|
||||
O(0) 5.111e-04
|
||||
O2 2.556e-04 2.561e-04 -3.593 -3.592 0.001 30.40
|
||||
S(-2) 0.000e+00
|
||||
HS- 0.000e+00 0.000e+00 -142.238 -142.283 -0.045 20.67
|
||||
H2S 0.000e+00 0.000e+00 -142.389 -142.388 0.001 37.16
|
||||
S-2 0.000e+00 0.000e+00 -147.982 -148.154 -0.172 (0)
|
||||
HS- 0.000e+00 0.000e+00 -142.244 -142.289 -0.045 20.67
|
||||
H2S 0.000e+00 0.000e+00 -142.396 -142.395 0.001 36.27
|
||||
S-2 0.000e+00 0.000e+00 -147.987 -148.160 -0.173 (0)
|
||||
(H2S)2 0.000e+00 0.000e+00 -286.070 -286.069 0.001 30.09
|
||||
S(6) 2.351e-04
|
||||
SO4-2 1.835e-04 1.233e-04 -3.736 -3.909 -0.173 14.76
|
||||
CaSO4 2.582e-05 2.587e-05 -4.588 -4.587 0.001 7.50
|
||||
MgSO4 2.564e-05 2.569e-05 -4.591 -4.590 0.001 5.84
|
||||
NaSO4- 7.541e-08 6.836e-08 -7.123 -7.165 -0.043 14.31
|
||||
HSO4- 1.192e-09 1.076e-09 -8.924 -8.968 -0.044 40.34
|
||||
CaHSO4+ 1.691e-11 1.527e-11 -10.772 -10.816 -0.044 (0)
|
||||
SO4-2 1.812e-04 1.217e-04 -3.742 -3.915 -0.173 15.04
|
||||
MgSO4 2.843e-05 2.856e-05 -4.546 -4.544 0.002 -0.83
|
||||
CaSO4 2.537e-05 2.543e-05 -4.596 -4.595 0.001 7.50
|
||||
NaSO4- 5.899e-08 5.256e-08 -7.229 -7.279 -0.050 14.84
|
||||
Mg(SO4)2-2 1.666e-08 1.144e-08 -7.778 -7.941 -0.163 38.49
|
||||
HSO4- 1.173e-09 1.060e-09 -8.931 -8.975 -0.044 40.34
|
||||
CaHSO4+ 1.658e-11 1.498e-11 -10.780 -10.825 -0.044 (0)
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
|
||||
Phase SI** log IAP log K(298 K, 1 atm)
|
||||
|
||||
Anhydrite -2.56 -6.84 -4.28 CaSO4
|
||||
Anhydrite -2.57 -6.84 -4.28 CaSO4
|
||||
Aragonite -0.15 -8.48 -8.34 CaCO3
|
||||
Calcite -0.00 -8.48 -8.48 CaCO3
|
||||
CH4(g) -140.75 -143.55 -2.80 CH4
|
||||
CO2(g) -1.50 -2.97 -1.47 CO2
|
||||
Dolomite 0.00 -17.09 -17.09 CaMg(CO3)2
|
||||
Gypsum -2.25 -6.84 -4.58 CaSO4:2H2O
|
||||
Dolomite 0.00 -17.08 -17.08 CaMg(CO3)2
|
||||
Epsomite -5.22 -6.96 -1.74 MgSO4:7H2O
|
||||
Gypsum -2.26 -6.84 -4.58 CaSO4:2H2O
|
||||
H2(g) -41.29 -44.39 -3.10 H2
|
||||
H2O(g) -1.50 -0.00 1.50 H2O
|
||||
H2S(g) -141.34 -149.33 -7.99 H2S
|
||||
H2S(g) -141.40 -149.34 -7.94 H2S
|
||||
Halite -9.44 -7.87 1.57 NaCl
|
||||
Hexahydrite -5.40 -6.96 -1.57 MgSO4:6H2O
|
||||
Kieserite -5.80 -6.96 -1.16 MgSO4:H2O
|
||||
Mirabilite -10.59 -11.83 -1.24 Na2SO4:10H2O
|
||||
O2(g) -0.70 -3.59 -2.89 O2
|
||||
Sulfur -106.03 -101.14 4.88 S
|
||||
Sulfur -106.03 -101.15 4.88 S
|
||||
Thenardite -11.53 -11.83 -0.30 Na2SO4
|
||||
|
||||
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
||||
For ideal gases, phi = 1.
|
||||
@ -1073,7 +1113,3 @@ End of simulation.
|
||||
Reading input data for simulation 6.
|
||||
------------------------------------
|
||||
|
||||
-------------------------------
|
||||
End of Run after 0.106 Seconds.
|
||||
-------------------------------
|
||||
|
||||
|
||||
@ -1,202 +1,202 @@
|
||||
step m_Ca m_Mg m_Na umol_As pH mmol_sorbedAs
|
||||
1 4.6445e-01 1.6199e-01 5.4020e+00 2.5000e-02 5.8852e+00 0.0000e+00
|
||||
1 3.4330e-04 2.4396e-04 9.3322e-02 1.5374e-03 7.2244e+00 2.5220e+00
|
||||
2 2.8378e-05 1.9029e-05 2.3438e-02 1.8099e-01 8.6638e+00 2.5218e+00
|
||||
3 1.5125e-05 9.3869e-06 1.4671e-02 1.1874e+00 9.1652e+00 2.5206e+00
|
||||
4 1.3203e-05 7.9863e-06 1.2636e-02 1.9995e+00 9.3067e+00 2.5186e+00
|
||||
5 1.2796e-05 7.6909e-06 1.1843e-02 2.3254e+00 9.3475e+00 2.5163e+00
|
||||
6 1.2832e-05 7.7187e-06 1.1443e-02 2.3686e+00 9.3517e+00 2.5139e+00
|
||||
7 1.3044e-05 7.8764e-06 1.1198e-02 2.2855e+00 9.3410e+00 2.5117e+00
|
||||
8 1.3342e-05 8.0957e-06 1.1024e-02 2.1549e+00 9.3241e+00 2.5095e+00
|
||||
9 1.3684e-05 8.3485e-06 1.0885e-02 2.0118e+00 9.3045e+00 2.5075e+00
|
||||
10 1.4056e-05 8.6224e-06 1.0764e-02 1.8704e+00 9.2840e+00 2.5056e+00
|
||||
11 1.4449e-05 8.9121e-06 1.0655e-02 1.7362e+00 9.2632e+00 2.5039e+00
|
||||
12 1.4861e-05 9.2154e-06 1.0554e-02 1.6107e+00 9.2424e+00 2.5023e+00
|
||||
13 1.5290e-05 9.5320e-06 1.0459e-02 1.4941e+00 9.2216e+00 2.5008e+00
|
||||
14 1.5738e-05 9.8619e-06 1.0370e-02 1.3860e+00 9.2011e+00 2.4994e+00
|
||||
15 1.6204e-05 1.0206e-05 1.0285e-02 1.2857e+00 9.1806e+00 2.4981e+00
|
||||
16 1.6691e-05 1.0564e-05 1.0205e-02 1.1928e+00 9.1602e+00 2.4969e+00
|
||||
17 1.7198e-05 1.0938e-05 1.0128e-02 1.1065e+00 9.1400e+00 2.4958e+00
|
||||
18 1.7728e-05 1.1329e-05 1.0055e-02 1.0264e+00 9.1198e+00 2.4948e+00
|
||||
19 1.8282e-05 1.1737e-05 9.9848e-03 9.5190e-01 9.0996e+00 2.4938e+00
|
||||
20 1.8861e-05 1.2164e-05 9.9179e-03 8.8267e-01 9.0795e+00 2.4929e+00
|
||||
21 1.9467e-05 1.2611e-05 9.8538e-03 8.1826e-01 9.0595e+00 2.4921e+00
|
||||
22 2.0103e-05 1.3079e-05 9.7923e-03 7.5833e-01 9.0394e+00 2.4914e+00
|
||||
23 2.0768e-05 1.3570e-05 9.7333e-03 7.0254e-01 9.0193e+00 2.4907e+00
|
||||
24 2.1467e-05 1.4084e-05 9.6765e-03 6.5060e-01 8.9992e+00 2.4900e+00
|
||||
25 2.2200e-05 1.4625e-05 9.6219e-03 6.0224e-01 8.9790e+00 2.4894e+00
|
||||
26 2.2971e-05 1.5193e-05 9.5693e-03 5.5721e-01 8.9588e+00 2.4889e+00
|
||||
27 2.3781e-05 1.5790e-05 9.5185e-03 5.1528e-01 8.9385e+00 2.4883e+00
|
||||
28 2.4634e-05 1.6419e-05 9.4694e-03 4.7623e-01 8.9182e+00 2.4879e+00
|
||||
29 2.5532e-05 1.7081e-05 9.4220e-03 4.3988e-01 8.8977e+00 2.4874e+00
|
||||
30 2.6478e-05 1.7779e-05 9.3760e-03 4.0605e-01 8.8772e+00 2.4870e+00
|
||||
31 2.7477e-05 1.8515e-05 9.3315e-03 3.7456e-01 8.8565e+00 2.4866e+00
|
||||
32 2.8531e-05 1.9292e-05 9.2883e-03 3.4527e-01 8.8357e+00 2.4863e+00
|
||||
33 2.9645e-05 2.0113e-05 9.2462e-03 3.1803e-01 8.8148e+00 2.4860e+00
|
||||
34 3.0822e-05 2.0981e-05 9.2053e-03 2.9271e-01 8.7938e+00 2.4857e+00
|
||||
35 3.2069e-05 2.1900e-05 9.1654e-03 2.6918e-01 8.7726e+00 2.4854e+00
|
||||
36 3.3389e-05 2.2873e-05 9.1264e-03 2.4733e-01 8.7512e+00 2.4852e+00
|
||||
37 3.4788e-05 2.3904e-05 9.0883e-03 2.2705e-01 8.7296e+00 2.4849e+00
|
||||
38 3.6272e-05 2.4998e-05 9.0509e-03 2.0824e-01 8.7079e+00 2.4847e+00
|
||||
39 3.7849e-05 2.6161e-05 9.0142e-03 1.9080e-01 8.6859e+00 2.4845e+00
|
||||
40 3.9524e-05 2.7396e-05 8.9781e-03 1.7464e-01 8.6638e+00 2.4844e+00
|
||||
41 4.1307e-05 2.8710e-05 8.9424e-03 1.5969e-01 8.6414e+00 2.4842e+00
|
||||
42 4.3204e-05 3.0109e-05 8.9072e-03 1.4586e-01 8.6188e+00 2.4841e+00
|
||||
43 4.5227e-05 3.1600e-05 8.8723e-03 1.3308e-01 8.5960e+00 2.4839e+00
|
||||
44 4.7385e-05 3.3190e-05 8.8375e-03 1.2128e-01 8.5729e+00 2.4838e+00
|
||||
45 4.9689e-05 3.4889e-05 8.8029e-03 1.1039e-01 8.5496e+00 2.4837e+00
|
||||
46 5.2151e-05 3.6704e-05 8.7684e-03 1.0036e-01 8.5260e+00 2.4836e+00
|
||||
47 5.4786e-05 3.8647e-05 8.7337e-03 9.1131e-02 8.5021e+00 2.4835e+00
|
||||
48 5.7607e-05 4.0727e-05 8.6988e-03 8.2642e-02 8.4779e+00 2.4834e+00
|
||||
49 6.0632e-05 4.2957e-05 8.6636e-03 7.4844e-02 8.4535e+00 2.4834e+00
|
||||
50 6.3879e-05 4.5350e-05 8.6280e-03 6.7692e-02 8.4287e+00 2.4833e+00
|
||||
51 6.7366e-05 4.7921e-05 8.5918e-03 6.1139e-02 8.4036e+00 2.4832e+00
|
||||
52 7.1116e-05 5.0686e-05 8.5549e-03 5.5143e-02 8.3782e+00 2.4832e+00
|
||||
53 7.5154e-05 5.3663e-05 8.5170e-03 4.9665e-02 8.3525e+00 2.4831e+00
|
||||
54 7.9505e-05 5.6870e-05 8.4782e-03 4.4666e-02 8.3264e+00 2.4831e+00
|
||||
55 8.4198e-05 6.0331e-05 8.4382e-03 4.0112e-02 8.2999e+00 2.4830e+00
|
||||
56 8.9267e-05 6.4068e-05 8.3967e-03 3.5970e-02 8.2732e+00 2.4830e+00
|
||||
57 9.4747e-05 6.8108e-05 8.3536e-03 3.2207e-02 8.2460e+00 2.4830e+00
|
||||
58 1.0068e-04 7.2479e-05 8.3087e-03 2.8796e-02 8.2185e+00 2.4829e+00
|
||||
59 1.0710e-04 7.7215e-05 8.2618e-03 2.5708e-02 8.1906e+00 2.4829e+00
|
||||
60 1.1406e-04 8.2350e-05 8.2125e-03 2.2918e-02 8.1624e+00 2.4829e+00
|
||||
61 1.2162e-04 8.7923e-05 8.1606e-03 2.0401e-02 8.1338e+00 2.4829e+00
|
||||
62 1.2983e-04 9.3976e-05 8.1057e-03 1.8135e-02 8.1048e+00 2.4828e+00
|
||||
63 1.3876e-04 1.0056e-04 8.0477e-03 1.6100e-02 8.0754e+00 2.4828e+00
|
||||
64 1.4847e-04 1.0772e-04 7.9860e-03 1.4274e-02 8.0457e+00 2.4828e+00
|
||||
65 1.5904e-04 1.1551e-04 7.9203e-03 1.2640e-02 8.0156e+00 2.4828e+00
|
||||
66 1.7055e-04 1.2400e-04 7.8503e-03 1.1180e-02 7.9852e+00 2.4828e+00
|
||||
67 1.8310e-04 1.3326e-04 7.7754e-03 9.8787e-03 7.9545e+00 2.4828e+00
|
||||
68 1.9678e-04 1.4334e-04 7.6953e-03 8.7213e-03 7.9235e+00 2.4828e+00
|
||||
69 2.1170e-04 1.5434e-04 7.6094e-03 7.6939e-03 7.8922e+00 2.4828e+00
|
||||
70 2.2795e-04 1.6633e-04 7.5173e-03 6.7838e-03 7.8607e+00 2.4828e+00
|
||||
71 2.4567e-04 1.7939e-04 7.4184e-03 5.9792e-03 7.8290e+00 2.4828e+00
|
||||
72 2.6497e-04 1.9363e-04 7.3122e-03 5.2695e-03 7.7972e+00 2.4828e+00
|
||||
73 2.8598e-04 2.0912e-04 7.1983e-03 4.6446e-03 7.7652e+00 2.4827e+00
|
||||
74 3.0883e-04 2.2596e-04 7.0761e-03 4.0956e-03 7.7332e+00 2.4827e+00
|
||||
75 3.3363e-04 2.4425e-04 6.9451e-03 3.6140e-03 7.7013e+00 2.4827e+00
|
||||
76 3.6051e-04 2.6408e-04 6.8049e-03 3.1925e-03 7.6694e+00 2.4827e+00
|
||||
77 3.8959e-04 2.8552e-04 6.6552e-03 2.8241e-03 7.6377e+00 2.4827e+00
|
||||
78 4.2095e-04 3.0865e-04 6.4957e-03 2.5027e-03 7.6063e+00 2.4827e+00
|
||||
79 4.5468e-04 3.3352e-04 6.3263e-03 2.2226e-03 7.5752e+00 2.4827e+00
|
||||
80 4.9083e-04 3.6018e-04 6.1469e-03 1.9789e-03 7.5446e+00 2.4827e+00
|
||||
81 5.2942e-04 3.8864e-04 5.9576e-03 1.7671e-03 7.5145e+00 2.4827e+00
|
||||
82 5.7044e-04 4.1888e-04 5.7588e-03 1.5832e-03 7.4850e+00 2.4827e+00
|
||||
83 6.1382e-04 4.5087e-04 5.5509e-03 1.4236e-03 7.4563e+00 2.4827e+00
|
||||
84 6.5945e-04 4.8452e-04 5.3348e-03 1.2852e-03 7.4284e+00 2.4827e+00
|
||||
85 7.0691e-04 5.1999e-04 5.1110e-03 1.1651e-03 7.4014e+00 2.4827e+00
|
||||
86 7.5562e-04 5.5750e-04 4.8807e-03 1.0607e-03 7.3753e+00 2.4827e+00
|
||||
87 8.0589e-04 5.9627e-04 4.6455e-03 9.7033e-04 7.3503e+00 2.4827e+00
|
||||
88 8.5741e-04 6.3604e-04 4.4070e-03 8.9199e-04 7.3265e+00 2.4827e+00
|
||||
89 9.0983e-04 6.7656e-04 4.1667e-03 8.2410e-04 7.3038e+00 2.4827e+00
|
||||
90 9.6276e-04 7.1752e-04 3.9262e-03 7.6524e-04 7.2824e+00 2.4827e+00
|
||||
91 1.0158e-03 7.5861e-04 3.6873e-03 7.1415e-04 7.2623e+00 2.4827e+00
|
||||
92 1.0686e-03 7.9954e-04 3.4516e-03 6.6979e-04 7.2433e+00 2.4827e+00
|
||||
93 1.1208e-03 8.3999e-04 3.2206e-03 6.3123e-04 7.2257e+00 2.4827e+00
|
||||
94 1.1719e-03 8.7967e-04 2.9958e-03 5.9767e-04 7.2093e+00 2.4827e+00
|
||||
95 1.2217e-03 9.1831e-04 2.7786e-03 5.6844e-04 7.1940e+00 2.4827e+00
|
||||
96 1.2698e-03 9.5569e-04 2.5700e-03 5.4295e-04 7.1800e+00 2.4827e+00
|
||||
97 1.3160e-03 9.9158e-04 2.3709e-03 5.2070e-04 7.1671e+00 2.4827e+00
|
||||
98 1.3601e-03 1.0258e-03 2.1821e-03 5.0126e-04 7.1552e+00 2.4827e+00
|
||||
99 1.4019e-03 1.0583e-03 2.0039e-03 4.8424e-04 7.1444e+00 2.4827e+00
|
||||
100 1.4413e-03 1.0889e-03 1.8368e-03 4.6934e-04 7.1345e+00 2.4827e+00
|
||||
101 1.4783e-03 1.1176e-03 1.6808e-03 4.5628e-04 7.1255e+00 2.4827e+00
|
||||
102 1.5129e-03 1.1444e-03 1.5358e-03 4.4482e-04 7.1173e+00 2.4827e+00
|
||||
103 1.5449e-03 1.1693e-03 1.4017e-03 4.3475e-04 7.1100e+00 2.4827e+00
|
||||
104 1.5746e-03 1.1923e-03 1.2781e-03 4.2590e-04 7.1033e+00 2.4827e+00
|
||||
105 1.6019e-03 1.2134e-03 1.1647e-03 4.1811e-04 7.0973e+00 2.4827e+00
|
||||
106 1.6270e-03 1.2328e-03 1.0608e-03 4.1125e-04 7.0919e+00 2.4827e+00
|
||||
107 1.6500e-03 1.2505e-03 9.6613e-04 4.0521e-04 7.0870e+00 2.4827e+00
|
||||
108 1.6710e-03 1.2667e-03 8.7997e-04 3.9988e-04 7.0826e+00 2.4827e+00
|
||||
109 1.6900e-03 1.2813e-03 8.0180e-04 3.9517e-04 7.0787e+00 2.4827e+00
|
||||
110 1.7074e-03 1.2946e-03 7.3103e-04 3.9102e-04 7.0752e+00 2.4827e+00
|
||||
111 1.7231e-03 1.3066e-03 6.6710e-04 3.8736e-04 7.0720e+00 2.4827e+00
|
||||
112 1.7372e-03 1.3175e-03 6.0946e-04 3.8412e-04 7.0692e+00 2.4827e+00
|
||||
113 1.7500e-03 1.3272e-03 5.5757e-04 3.8125e-04 7.0667e+00 2.4827e+00
|
||||
114 1.7616e-03 1.3359e-03 5.1093e-04 3.7872e-04 7.0645e+00 2.4827e+00
|
||||
115 1.7720e-03 1.3438e-03 4.6907e-04 3.7648e-04 7.0625e+00 2.4827e+00
|
||||
116 1.7813e-03 1.3508e-03 4.3155e-04 3.7450e-04 7.0607e+00 2.4827e+00
|
||||
117 1.7897e-03 1.3571e-03 3.9794e-04 3.7274e-04 7.0591e+00 2.4827e+00
|
||||
118 1.7972e-03 1.3627e-03 3.6788e-04 3.7119e-04 7.0577e+00 2.4827e+00
|
||||
119 1.8040e-03 1.3676e-03 3.4101e-04 3.6982e-04 7.0565e+00 2.4827e+00
|
||||
120 1.8100e-03 1.3721e-03 3.1702e-04 3.6860e-04 7.0553e+00 2.4827e+00
|
||||
121 1.8155e-03 1.3760e-03 2.9560e-04 3.6752e-04 7.0543e+00 2.4827e+00
|
||||
122 1.8203e-03 1.3795e-03 2.7650e-04 3.6656e-04 7.0535e+00 2.4827e+00
|
||||
123 1.8247e-03 1.3826e-03 2.5947e-04 3.6572e-04 7.0527e+00 2.4827e+00
|
||||
124 1.8286e-03 1.3854e-03 2.4430e-04 3.6497e-04 7.0520e+00 2.4827e+00
|
||||
125 1.8321e-03 1.3878e-03 2.3079e-04 3.6430e-04 7.0514e+00 2.4827e+00
|
||||
126 1.8352e-03 1.3900e-03 2.1876e-04 3.6372e-04 7.0508e+00 2.4827e+00
|
||||
127 1.8380e-03 1.3919e-03 2.0806e-04 3.6320e-04 7.0503e+00 2.4827e+00
|
||||
128 1.8405e-03 1.3935e-03 1.9854e-04 3.6273e-04 7.0499e+00 2.4827e+00
|
||||
129 1.8427e-03 1.3950e-03 1.9007e-04 3.6233e-04 7.0495e+00 2.4827e+00
|
||||
130 1.8448e-03 1.3963e-03 1.8254e-04 3.6196e-04 7.0492e+00 2.4827e+00
|
||||
131 1.8466e-03 1.3974e-03 1.7584e-04 3.6164e-04 7.0488e+00 2.4827e+00
|
||||
132 1.8482e-03 1.3984e-03 1.6989e-04 3.6136e-04 7.0486e+00 2.4827e+00
|
||||
133 1.8497e-03 1.3993e-03 1.6461e-04 3.6111e-04 7.0483e+00 2.4827e+00
|
||||
134 1.8510e-03 1.4000e-03 1.5991e-04 3.6088e-04 7.0481e+00 2.4827e+00
|
||||
135 1.8522e-03 1.4007e-03 1.5573e-04 3.6069e-04 7.0479e+00 2.4827e+00
|
||||
136 1.8533e-03 1.4012e-03 1.5203e-04 3.6051e-04 7.0478e+00 2.4827e+00
|
||||
137 1.8542e-03 1.4017e-03 1.4873e-04 3.6036e-04 7.0476e+00 2.4827e+00
|
||||
138 1.8551e-03 1.4021e-03 1.4581e-04 3.6022e-04 7.0475e+00 2.4827e+00
|
||||
139 1.8559e-03 1.4025e-03 1.4321e-04 3.6010e-04 7.0474e+00 2.4827e+00
|
||||
140 1.8566e-03 1.4028e-03 1.4091e-04 3.6000e-04 7.0473e+00 2.4827e+00
|
||||
141 1.8573e-03 1.4030e-03 1.3886e-04 3.5990e-04 7.0472e+00 2.4827e+00
|
||||
142 1.8579e-03 1.4032e-03 1.3704e-04 3.5982e-04 7.0471e+00 2.4827e+00
|
||||
143 1.8585e-03 1.4034e-03 1.3543e-04 3.5975e-04 7.0471e+00 2.4827e+00
|
||||
144 1.8590e-03 1.4035e-03 1.3399e-04 3.5968e-04 7.0470e+00 2.4827e+00
|
||||
145 1.8594e-03 1.4036e-03 1.3272e-04 3.5963e-04 7.0469e+00 2.4827e+00
|
||||
146 1.8599e-03 1.4037e-03 1.3159e-04 3.5958e-04 7.0469e+00 2.4827e+00
|
||||
147 1.8603e-03 1.4037e-03 1.3059e-04 3.5953e-04 7.0468e+00 2.4827e+00
|
||||
148 1.8606e-03 1.4037e-03 1.2970e-04 3.5950e-04 7.0468e+00 2.4827e+00
|
||||
149 1.8610e-03 1.4038e-03 1.2891e-04 3.5946e-04 7.0468e+00 2.4827e+00
|
||||
150 1.8613e-03 1.4037e-03 1.2821e-04 3.5943e-04 7.0467e+00 2.4827e+00
|
||||
151 1.8616e-03 1.4037e-03 1.2759e-04 3.5941e-04 7.0467e+00 2.4827e+00
|
||||
152 1.8619e-03 1.4037e-03 1.2704e-04 3.5938e-04 7.0467e+00 2.4827e+00
|
||||
153 1.8621e-03 1.4037e-03 1.2655e-04 3.5937e-04 7.0467e+00 2.4827e+00
|
||||
154 1.8624e-03 1.4036e-03 1.2611e-04 3.5935e-04 7.0467e+00 2.4827e+00
|
||||
155 1.8626e-03 1.4035e-03 1.2573e-04 3.5933e-04 7.0467e+00 2.4827e+00
|
||||
156 1.8629e-03 1.4035e-03 1.2538e-04 3.5932e-04 7.0466e+00 2.4827e+00
|
||||
157 1.8631e-03 1.4034e-03 1.2508e-04 3.5931e-04 7.0466e+00 2.4827e+00
|
||||
158 1.8633e-03 1.4033e-03 1.2481e-04 3.5930e-04 7.0466e+00 2.4827e+00
|
||||
159 1.8635e-03 1.4032e-03 1.2457e-04 3.5930e-04 7.0466e+00 2.4827e+00
|
||||
160 1.8637e-03 1.4031e-03 1.2436e-04 3.5929e-04 7.0466e+00 2.4827e+00
|
||||
161 1.8639e-03 1.4030e-03 1.2417e-04 3.5928e-04 7.0466e+00 2.4827e+00
|
||||
162 1.8640e-03 1.4030e-03 1.2400e-04 3.5928e-04 7.0466e+00 2.4827e+00
|
||||
163 1.8642e-03 1.4029e-03 1.2385e-04 3.5928e-04 7.0466e+00 2.4827e+00
|
||||
164 1.8644e-03 1.4028e-03 1.2372e-04 3.5928e-04 7.0466e+00 2.4827e+00
|
||||
165 1.8645e-03 1.4026e-03 1.2361e-04 3.5927e-04 7.0466e+00 2.4827e+00
|
||||
166 1.8647e-03 1.4025e-03 1.2350e-04 3.5927e-04 7.0466e+00 2.4827e+00
|
||||
167 1.8648e-03 1.4024e-03 1.2341e-04 3.5927e-04 7.0466e+00 2.4827e+00
|
||||
168 1.8650e-03 1.4023e-03 1.2333e-04 3.5927e-04 7.0466e+00 2.4827e+00
|
||||
169 1.8651e-03 1.4022e-03 1.2326e-04 3.5927e-04 7.0466e+00 2.4827e+00
|
||||
170 1.8653e-03 1.4021e-03 1.2319e-04 3.5927e-04 7.0466e+00 2.4827e+00
|
||||
171 1.8654e-03 1.4020e-03 1.2313e-04 3.5927e-04 7.0466e+00 2.4827e+00
|
||||
172 1.8656e-03 1.4019e-03 1.2308e-04 3.5928e-04 7.0466e+00 2.4827e+00
|
||||
173 1.8657e-03 1.4018e-03 1.2304e-04 3.5928e-04 7.0466e+00 2.4827e+00
|
||||
174 1.8658e-03 1.4017e-03 1.2300e-04 3.5928e-04 7.0466e+00 2.4827e+00
|
||||
175 1.8660e-03 1.4016e-03 1.2296e-04 3.5928e-04 7.0466e+00 2.4827e+00
|
||||
176 1.8661e-03 1.4015e-03 1.2293e-04 3.5928e-04 7.0466e+00 2.4827e+00
|
||||
177 1.8662e-03 1.4013e-03 1.2290e-04 3.5928e-04 7.0466e+00 2.4827e+00
|
||||
178 1.8663e-03 1.4012e-03 1.2288e-04 3.5929e-04 7.0466e+00 2.4827e+00
|
||||
179 1.8665e-03 1.4011e-03 1.2286e-04 3.5929e-04 7.0466e+00 2.4827e+00
|
||||
180 1.8666e-03 1.4010e-03 1.2284e-04 3.5929e-04 7.0466e+00 2.4827e+00
|
||||
181 1.8667e-03 1.4009e-03 1.2282e-04 3.5930e-04 7.0466e+00 2.4827e+00
|
||||
182 1.8668e-03 1.4008e-03 1.2280e-04 3.5930e-04 7.0466e+00 2.4827e+00
|
||||
183 1.8670e-03 1.4007e-03 1.2279e-04 3.5930e-04 7.0466e+00 2.4827e+00
|
||||
184 1.8671e-03 1.4006e-03 1.2278e-04 3.5930e-04 7.0466e+00 2.4827e+00
|
||||
185 1.8672e-03 1.4005e-03 1.2277e-04 3.5931e-04 7.0466e+00 2.4827e+00
|
||||
186 1.8673e-03 1.4004e-03 1.2276e-04 3.5931e-04 7.0466e+00 2.4827e+00
|
||||
187 1.8674e-03 1.4003e-03 1.2275e-04 3.5931e-04 7.0466e+00 2.4827e+00
|
||||
188 1.8675e-03 1.4002e-03 1.2274e-04 3.5932e-04 7.0466e+00 2.4827e+00
|
||||
189 1.8676e-03 1.4001e-03 1.2274e-04 3.5932e-04 7.0466e+00 2.4827e+00
|
||||
190 1.8678e-03 1.4000e-03 1.2273e-04 3.5932e-04 7.0466e+00 2.4827e+00
|
||||
191 1.8679e-03 1.3999e-03 1.2272e-04 3.5932e-04 7.0466e+00 2.4827e+00
|
||||
192 1.8680e-03 1.3997e-03 1.2272e-04 3.5933e-04 7.0466e+00 2.4827e+00
|
||||
193 1.8681e-03 1.3996e-03 1.2272e-04 3.5933e-04 7.0466e+00 2.4827e+00
|
||||
194 1.8682e-03 1.3995e-03 1.2271e-04 3.5933e-04 7.0466e+00 2.4827e+00
|
||||
195 1.8683e-03 1.3994e-03 1.2271e-04 3.5934e-04 7.0466e+00 2.4827e+00
|
||||
196 1.8684e-03 1.3993e-03 1.2271e-04 3.5934e-04 7.0466e+00 2.4827e+00
|
||||
197 1.8685e-03 1.3992e-03 1.2270e-04 3.5934e-04 7.0466e+00 2.4827e+00
|
||||
198 1.8686e-03 1.3991e-03 1.2270e-04 3.5935e-04 7.0467e+00 2.4827e+00
|
||||
199 1.8687e-03 1.3991e-03 1.2270e-04 3.5935e-04 7.0467e+00 2.4827e+00
|
||||
200 1.8688e-03 1.3990e-03 1.2270e-04 3.5935e-04 7.0467e+00 2.4827e+00
|
||||
1 4.6308e-01 1.6339e-01 5.4020e+00 2.5000e-02 5.8786e+00 0.0000e+00
|
||||
1 3.4327e-04 2.4766e-04 9.3588e-02 1.4981e-03 7.2249e+00 2.4922e+00
|
||||
2 2.8134e-05 1.9155e-05 2.3251e-02 1.7865e-01 8.6678e+00 2.4920e+00
|
||||
3 1.4944e-05 9.4043e-06 1.4415e-02 1.1859e+00 9.1722e+00 2.4908e+00
|
||||
4 1.3035e-05 7.9897e-06 1.2375e-02 2.0059e+00 9.3149e+00 2.4888e+00
|
||||
5 1.2625e-05 7.6873e-06 1.1591e-02 2.3392e+00 9.3565e+00 2.4865e+00
|
||||
6 1.2652e-05 7.7097e-06 1.1203e-02 2.3871e+00 9.3613e+00 2.4841e+00
|
||||
7 1.2855e-05 7.8626e-06 1.0972e-02 2.3063e+00 9.3510e+00 2.4818e+00
|
||||
8 1.3141e-05 8.0776e-06 1.0812e-02 2.1765e+00 9.3343e+00 2.4796e+00
|
||||
9 1.3473e-05 8.3263e-06 1.0686e-02 2.0333e+00 9.3149e+00 2.4776e+00
|
||||
10 1.3833e-05 8.5963e-06 1.0578e-02 1.8915e+00 9.2945e+00 2.4757e+00
|
||||
11 1.4214e-05 8.8822e-06 1.0481e-02 1.7565e+00 9.2738e+00 2.4739e+00
|
||||
12 1.4614e-05 9.1817e-06 1.0391e-02 1.6301e+00 9.2531e+00 2.4723e+00
|
||||
13 1.5031e-05 9.4944e-06 1.0306e-02 1.5127e+00 9.2325e+00 2.4708e+00
|
||||
14 1.5466e-05 9.8202e-06 1.0226e-02 1.4036e+00 9.2119e+00 2.4694e+00
|
||||
15 1.5919e-05 1.0160e-05 1.0151e-02 1.3025e+00 9.1915e+00 2.4681e+00
|
||||
16 1.6391e-05 1.0514e-05 1.0078e-02 1.2086e+00 9.1712e+00 2.4669e+00
|
||||
17 1.6884e-05 1.0884e-05 1.0009e-02 1.1215e+00 9.1510e+00 2.4658e+00
|
||||
18 1.7399e-05 1.1270e-05 9.9436e-03 1.0406e+00 9.1309e+00 2.4647e+00
|
||||
19 1.7937e-05 1.1673e-05 9.8806e-03 9.6530e-01 9.1108e+00 2.4638e+00
|
||||
20 1.8500e-05 1.2095e-05 9.8202e-03 8.9530e-01 9.0907e+00 2.4629e+00
|
||||
21 1.9088e-05 1.2536e-05 9.7623e-03 8.3017e-01 9.0707e+00 2.4620e+00
|
||||
22 1.9705e-05 1.2999e-05 9.7066e-03 7.6955e-01 9.0507e+00 2.4613e+00
|
||||
23 2.0352e-05 1.3483e-05 9.6531e-03 7.1311e-01 9.0306e+00 2.4605e+00
|
||||
24 2.1030e-05 1.3992e-05 9.6016e-03 6.6055e-01 9.0106e+00 2.4599e+00
|
||||
25 2.1742e-05 1.4526e-05 9.5519e-03 6.1160e-01 8.9904e+00 2.4593e+00
|
||||
26 2.2490e-05 1.5086e-05 9.5040e-03 5.6601e-01 8.9703e+00 2.4587e+00
|
||||
27 2.3276e-05 1.5676e-05 9.4577e-03 5.2355e-01 8.9501e+00 2.4582e+00
|
||||
28 2.4103e-05 1.6296e-05 9.4129e-03 4.8400e-01 8.9297e+00 2.4577e+00
|
||||
29 2.4975e-05 1.6950e-05 9.3695e-03 4.4718e-01 8.9094e+00 2.4573e+00
|
||||
30 2.5893e-05 1.7638e-05 9.3274e-03 4.1289e-01 8.8889e+00 2.4568e+00
|
||||
31 2.6861e-05 1.8364e-05 9.2866e-03 3.8098e-01 8.8683e+00 2.4565e+00
|
||||
32 2.7883e-05 1.9130e-05 9.2469e-03 3.5129e-01 8.8475e+00 2.4561e+00
|
||||
33 2.8962e-05 1.9940e-05 9.2083e-03 3.2367e-01 8.8267e+00 2.4558e+00
|
||||
34 3.0104e-05 2.0795e-05 9.1706e-03 2.9799e-01 8.8057e+00 2.4555e+00
|
||||
35 3.1311e-05 2.1701e-05 9.1338e-03 2.7413e-01 8.7845e+00 2.4552e+00
|
||||
36 3.2589e-05 2.2659e-05 9.0978e-03 2.5196e-01 8.7632e+00 2.4550e+00
|
||||
37 3.3944e-05 2.3675e-05 9.0625e-03 2.3138e-01 8.7417e+00 2.4547e+00
|
||||
38 3.5381e-05 2.4752e-05 9.0279e-03 2.1228e-01 8.7200e+00 2.4545e+00
|
||||
39 3.6906e-05 2.5896e-05 8.9938e-03 1.9457e-01 8.6982e+00 2.4543e+00
|
||||
40 3.8527e-05 2.7111e-05 8.9603e-03 1.7817e-01 8.6761e+00 2.4541e+00
|
||||
41 4.0250e-05 2.8404e-05 8.9271e-03 1.6297e-01 8.6538e+00 2.4540e+00
|
||||
42 4.2085e-05 2.9779e-05 8.8942e-03 1.4892e-01 8.6313e+00 2.4538e+00
|
||||
43 4.4039e-05 3.1245e-05 8.8616e-03 1.3593e-01 8.6085e+00 2.4537e+00
|
||||
44 4.6123e-05 3.2808e-05 8.8292e-03 1.2393e-01 8.5856e+00 2.4536e+00
|
||||
45 4.8348e-05 3.4476e-05 8.7967e-03 1.1285e-01 8.5623e+00 2.4535e+00
|
||||
46 5.0725e-05 3.6258e-05 8.7643e-03 1.0265e-01 8.5388e+00 2.4534e+00
|
||||
47 5.3267e-05 3.8165e-05 8.7317e-03 9.3246e-02 8.5150e+00 2.4533e+00
|
||||
48 5.5988e-05 4.0205e-05 8.6989e-03 8.4599e-02 8.4910e+00 2.4532e+00
|
||||
49 5.8905e-05 4.2392e-05 8.6657e-03 7.6655e-02 8.4666e+00 2.4531e+00
|
||||
50 6.2033e-05 4.4738e-05 8.6320e-03 6.9364e-02 8.4420e+00 2.4530e+00
|
||||
51 6.5393e-05 4.7257e-05 8.5977e-03 6.2681e-02 8.4170e+00 2.4530e+00
|
||||
52 6.9004e-05 4.9965e-05 8.5627e-03 5.6563e-02 8.3917e+00 2.4529e+00
|
||||
53 7.2890e-05 5.2879e-05 8.5268e-03 5.0970e-02 8.3661e+00 2.4529e+00
|
||||
54 7.7076e-05 5.6019e-05 8.4899e-03 4.5865e-02 8.3401e+00 2.4528e+00
|
||||
55 8.1590e-05 5.9404e-05 8.4518e-03 4.1211e-02 8.3138e+00 2.4528e+00
|
||||
56 8.6463e-05 6.3058e-05 8.4123e-03 3.6975e-02 8.2872e+00 2.4527e+00
|
||||
57 9.1728e-05 6.7006e-05 8.3712e-03 3.3125e-02 8.2602e+00 2.4527e+00
|
||||
58 9.7424e-05 7.1277e-05 8.3283e-03 2.9633e-02 8.2328e+00 2.4527e+00
|
||||
59 1.0359e-04 7.5902e-05 8.2834e-03 2.6469e-02 8.2051e+00 2.4526e+00
|
||||
60 1.1028e-04 8.0915e-05 8.2362e-03 2.3609e-02 8.1769e+00 2.4526e+00
|
||||
61 1.1753e-04 8.6353e-05 8.1864e-03 2.1027e-02 8.1485e+00 2.4526e+00
|
||||
62 1.2540e-04 9.2259e-05 8.1338e-03 1.8701e-02 8.1196e+00 2.4526e+00
|
||||
63 1.3396e-04 9.8677e-05 8.0781e-03 1.6609e-02 8.0904e+00 2.4526e+00
|
||||
64 1.4327e-04 1.0566e-04 8.0188e-03 1.4732e-02 8.0608e+00 2.4526e+00
|
||||
65 1.5340e-04 1.1326e-04 7.9557e-03 1.3050e-02 8.0308e+00 2.4525e+00
|
||||
66 1.6443e-04 1.2153e-04 7.8884e-03 1.1547e-02 8.0006e+00 2.4525e+00
|
||||
67 1.7646e-04 1.3055e-04 7.8163e-03 1.0206e-02 7.9700e+00 2.4525e+00
|
||||
68 1.8956e-04 1.4037e-04 7.7391e-03 9.0127e-03 7.9391e+00 2.4525e+00
|
||||
69 2.0385e-04 1.5109e-04 7.6564e-03 7.9523e-03 7.9079e+00 2.4525e+00
|
||||
70 2.1943e-04 1.6277e-04 7.5675e-03 7.0121e-03 7.8764e+00 2.4525e+00
|
||||
71 2.3641e-04 1.7551e-04 7.4721e-03 6.1803e-03 7.8448e+00 2.4525e+00
|
||||
72 2.5491e-04 1.8938e-04 7.3695e-03 5.4460e-03 7.8129e+00 2.4525e+00
|
||||
73 2.7506e-04 2.0449e-04 7.2594e-03 4.7990e-03 7.7810e+00 2.4525e+00
|
||||
74 2.9698e-04 2.2093e-04 7.1411e-03 4.2301e-03 7.7490e+00 2.4525e+00
|
||||
75 3.2079e-04 2.3879e-04 7.0142e-03 3.7309e-03 7.7170e+00 2.4525e+00
|
||||
76 3.4663e-04 2.5817e-04 6.8783e-03 3.2935e-03 7.6850e+00 2.4525e+00
|
||||
77 3.7460e-04 2.7915e-04 6.7329e-03 2.9111e-03 7.6532e+00 2.4525e+00
|
||||
78 4.0481e-04 3.0180e-04 6.5777e-03 2.5772e-03 7.6216e+00 2.4525e+00
|
||||
79 4.3735e-04 3.2620e-04 6.4126e-03 2.2861e-03 7.5903e+00 2.4525e+00
|
||||
80 4.7228e-04 3.5239e-04 6.2375e-03 2.0328e-03 7.5594e+00 2.4525e+00
|
||||
81 5.0964e-04 3.8040e-04 6.0523e-03 1.8125e-03 7.5290e+00 2.4525e+00
|
||||
82 5.4942e-04 4.1023e-04 5.8574e-03 1.6212e-03 7.4993e+00 2.4525e+00
|
||||
83 5.9159e-04 4.4185e-04 5.6532e-03 1.4552e-03 7.4702e+00 2.4525e+00
|
||||
84 6.3606e-04 4.7519e-04 5.4403e-03 1.3112e-03 7.4419e+00 2.4525e+00
|
||||
85 6.8269e-04 5.1015e-04 5.2195e-03 1.1863e-03 7.4144e+00 2.4524e+00
|
||||
86 7.3129e-04 5.4658e-04 4.9919e-03 1.0781e-03 7.3880e+00 2.4524e+00
|
||||
87 7.8148e-04 5.8445e-04 4.7587e-03 9.8433e-04 7.3626e+00 2.4524e+00
|
||||
88 8.3234e-04 6.2418e-04 4.5208e-03 9.0282e-04 7.3382e+00 2.4524e+00
|
||||
89 8.8427e-04 6.6480e-04 4.2805e-03 8.3217e-04 7.3150e+00 2.4524e+00
|
||||
90 9.3689e-04 7.0600e-04 4.0393e-03 7.7092e-04 7.2930e+00 2.4524e+00
|
||||
91 9.8982e-04 7.4749e-04 3.7990e-03 7.1779e-04 7.2722e+00 2.4524e+00
|
||||
92 1.0426e-03 7.8893e-04 3.5610e-03 6.7168e-04 7.2528e+00 2.4524e+00
|
||||
93 1.0950e-03 8.3003e-04 3.3272e-03 6.3161e-04 7.2345e+00 2.4524e+00
|
||||
94 1.1465e-03 8.7047e-04 3.0990e-03 5.9677e-04 7.2175e+00 2.4524e+00
|
||||
95 1.1967e-03 9.0999e-04 2.8778e-03 5.6644e-04 7.2018e+00 2.4524e+00
|
||||
96 1.2455e-03 9.4832e-04 2.6648e-03 5.4001e-04 7.1872e+00 2.4524e+00
|
||||
97 1.2924e-03 9.8524e-04 2.4609e-03 5.1695e-04 7.1738e+00 2.4524e+00
|
||||
98 1.3373e-03 1.0206e-03 2.2671e-03 4.9681e-04 7.1614e+00 2.4524e+00
|
||||
99 1.3800e-03 1.0542e-03 2.0838e-03 4.7920e-04 7.1502e+00 2.4524e+00
|
||||
100 1.4204e-03 1.0859e-03 1.9114e-03 4.6379e-04 7.1398e+00 2.4524e+00
|
||||
101 1.4583e-03 1.1157e-03 1.7502e-03 4.5028e-04 7.1305e+00 2.4524e+00
|
||||
102 1.4938e-03 1.1436e-03 1.6001e-03 4.3843e-04 7.1219e+00 2.4524e+00
|
||||
103 1.5268e-03 1.1696e-03 1.4610e-03 4.2803e-04 7.1142e+00 2.4524e+00
|
||||
104 1.5574e-03 1.1936e-03 1.3326e-03 4.1889e-04 7.1072e+00 2.4524e+00
|
||||
105 1.5857e-03 1.2158e-03 1.2145e-03 4.1085e-04 7.1009e+00 2.4524e+00
|
||||
106 1.6116e-03 1.2361e-03 1.1063e-03 4.0378e-04 7.0953e+00 2.4524e+00
|
||||
107 1.6354e-03 1.2547e-03 1.0075e-03 3.9755e-04 7.0902e+00 2.4524e+00
|
||||
108 1.6572e-03 1.2717e-03 9.1753e-04 3.9205e-04 7.0856e+00 2.4524e+00
|
||||
109 1.6770e-03 1.2872e-03 8.3580e-04 3.8721e-04 7.0815e+00 2.4524e+00
|
||||
110 1.6949e-03 1.3012e-03 7.6174e-04 3.8293e-04 7.0778e+00 2.4524e+00
|
||||
111 1.7112e-03 1.3139e-03 6.9479e-04 3.7915e-04 7.0745e+00 2.4524e+00
|
||||
112 1.7260e-03 1.3253e-03 6.3437e-04 3.7582e-04 7.0715e+00 2.4524e+00
|
||||
113 1.7393e-03 1.3356e-03 5.7995e-04 3.7287e-04 7.0689e+00 2.4524e+00
|
||||
114 1.7513e-03 1.3449e-03 5.3101e-04 3.7026e-04 7.0665e+00 2.4524e+00
|
||||
115 1.7621e-03 1.3532e-03 4.8706e-04 3.6796e-04 7.0644e+00 2.4524e+00
|
||||
116 1.7719e-03 1.3606e-03 4.4765e-04 3.6592e-04 7.0626e+00 2.4524e+00
|
||||
117 1.7806e-03 1.3673e-03 4.1234e-04 3.6411e-04 7.0609e+00 2.4524e+00
|
||||
118 1.7884e-03 1.3732e-03 3.8074e-04 3.6251e-04 7.0594e+00 2.4524e+00
|
||||
119 1.7955e-03 1.3785e-03 3.5249e-04 3.6110e-04 7.0581e+00 2.4524e+00
|
||||
120 1.8018e-03 1.3833e-03 3.2725e-04 3.5985e-04 7.0569e+00 2.4524e+00
|
||||
121 1.8074e-03 1.3875e-03 3.0472e-04 3.5874e-04 7.0559e+00 2.4524e+00
|
||||
122 1.8125e-03 1.3912e-03 2.8462e-04 3.5776e-04 7.0549e+00 2.4524e+00
|
||||
123 1.8170e-03 1.3945e-03 2.6670e-04 3.5689e-04 7.0541e+00 2.4524e+00
|
||||
124 1.8211e-03 1.3975e-03 2.5074e-04 3.5611e-04 7.0534e+00 2.4524e+00
|
||||
125 1.8247e-03 1.4001e-03 2.3651e-04 3.5543e-04 7.0527e+00 2.4524e+00
|
||||
126 1.8279e-03 1.4024e-03 2.2385e-04 3.5483e-04 7.0521e+00 2.4524e+00
|
||||
127 1.8308e-03 1.4044e-03 2.1258e-04 3.5429e-04 7.0516e+00 2.4524e+00
|
||||
128 1.8334e-03 1.4062e-03 2.0256e-04 3.5382e-04 7.0512e+00 2.4524e+00
|
||||
129 1.8358e-03 1.4078e-03 1.9364e-04 3.5339e-04 7.0507e+00 2.4524e+00
|
||||
130 1.8378e-03 1.4092e-03 1.8571e-04 3.5302e-04 7.0504e+00 2.4524e+00
|
||||
131 1.8397e-03 1.4104e-03 1.7866e-04 3.5269e-04 7.0501e+00 2.4524e+00
|
||||
132 1.8414e-03 1.4115e-03 1.7239e-04 3.5240e-04 7.0498e+00 2.4524e+00
|
||||
133 1.8429e-03 1.4125e-03 1.6682e-04 3.5214e-04 7.0495e+00 2.4524e+00
|
||||
134 1.8443e-03 1.4133e-03 1.6187e-04 3.5191e-04 7.0493e+00 2.4524e+00
|
||||
135 1.8455e-03 1.4140e-03 1.5748e-04 3.5171e-04 7.0491e+00 2.4524e+00
|
||||
136 1.8466e-03 1.4146e-03 1.5357e-04 3.5153e-04 7.0489e+00 2.4524e+00
|
||||
137 1.8476e-03 1.4152e-03 1.5011e-04 3.5137e-04 7.0488e+00 2.4524e+00
|
||||
138 1.8485e-03 1.4156e-03 1.4703e-04 3.5123e-04 7.0486e+00 2.4524e+00
|
||||
139 1.8493e-03 1.4160e-03 1.4429e-04 3.5110e-04 7.0485e+00 2.4524e+00
|
||||
140 1.8500e-03 1.4164e-03 1.4186e-04 3.5099e-04 7.0484e+00 2.4524e+00
|
||||
141 1.8507e-03 1.4166e-03 1.3971e-04 3.5090e-04 7.0483e+00 2.4524e+00
|
||||
142 1.8513e-03 1.4169e-03 1.3779e-04 3.5081e-04 7.0482e+00 2.4524e+00
|
||||
143 1.8518e-03 1.4171e-03 1.3609e-04 3.5074e-04 7.0482e+00 2.4524e+00
|
||||
144 1.8524e-03 1.4172e-03 1.3459e-04 3.5067e-04 7.0481e+00 2.4524e+00
|
||||
145 1.8528e-03 1.4174e-03 1.3325e-04 3.5061e-04 7.0480e+00 2.4524e+00
|
||||
146 1.8532e-03 1.4175e-03 1.3206e-04 3.5056e-04 7.0480e+00 2.4524e+00
|
||||
147 1.8536e-03 1.4176e-03 1.3100e-04 3.5051e-04 7.0479e+00 2.4524e+00
|
||||
148 1.8540e-03 1.4176e-03 1.3007e-04 3.5047e-04 7.0479e+00 2.4524e+00
|
||||
149 1.8543e-03 1.4176e-03 1.2924e-04 3.5044e-04 7.0479e+00 2.4524e+00
|
||||
150 1.8546e-03 1.4177e-03 1.2850e-04 3.5041e-04 7.0478e+00 2.4524e+00
|
||||
151 1.8549e-03 1.4177e-03 1.2784e-04 3.5038e-04 7.0478e+00 2.4524e+00
|
||||
152 1.8552e-03 1.4177e-03 1.2726e-04 3.5036e-04 7.0478e+00 2.4524e+00
|
||||
153 1.8555e-03 1.4176e-03 1.2675e-04 3.5033e-04 7.0478e+00 2.4524e+00
|
||||
154 1.8557e-03 1.4176e-03 1.2629e-04 3.5032e-04 7.0478e+00 2.4524e+00
|
||||
155 1.8559e-03 1.4176e-03 1.2588e-04 3.5030e-04 7.0477e+00 2.4524e+00
|
||||
156 1.8561e-03 1.4175e-03 1.2552e-04 3.5029e-04 7.0477e+00 2.4524e+00
|
||||
157 1.8563e-03 1.4175e-03 1.2520e-04 3.5028e-04 7.0477e+00 2.4524e+00
|
||||
158 1.8565e-03 1.4174e-03 1.2492e-04 3.5027e-04 7.0477e+00 2.4524e+00
|
||||
159 1.8567e-03 1.4173e-03 1.2467e-04 3.5026e-04 7.0477e+00 2.4524e+00
|
||||
160 1.8569e-03 1.4173e-03 1.2444e-04 3.5025e-04 7.0477e+00 2.4524e+00
|
||||
161 1.8571e-03 1.4172e-03 1.2425e-04 3.5025e-04 7.0477e+00 2.4524e+00
|
||||
162 1.8572e-03 1.4171e-03 1.2407e-04 3.5024e-04 7.0477e+00 2.4524e+00
|
||||
163 1.8574e-03 1.4170e-03 1.2391e-04 3.5024e-04 7.0477e+00 2.4524e+00
|
||||
164 1.8575e-03 1.4169e-03 1.2377e-04 3.5023e-04 7.0477e+00 2.4524e+00
|
||||
165 1.8577e-03 1.4168e-03 1.2365e-04 3.5023e-04 7.0477e+00 2.4524e+00
|
||||
166 1.8578e-03 1.4168e-03 1.2354e-04 3.5023e-04 7.0477e+00 2.4524e+00
|
||||
167 1.8580e-03 1.4167e-03 1.2345e-04 3.5023e-04 7.0477e+00 2.4524e+00
|
||||
168 1.8581e-03 1.4166e-03 1.2336e-04 3.5023e-04 7.0477e+00 2.4524e+00
|
||||
169 1.8582e-03 1.4165e-03 1.2328e-04 3.5023e-04 7.0477e+00 2.4524e+00
|
||||
170 1.8583e-03 1.4164e-03 1.2322e-04 3.5023e-04 7.0477e+00 2.4524e+00
|
||||
171 1.8585e-03 1.4163e-03 1.2316e-04 3.5023e-04 7.0477e+00 2.4524e+00
|
||||
172 1.8586e-03 1.4162e-03 1.2310e-04 3.5023e-04 7.0477e+00 2.4524e+00
|
||||
173 1.8587e-03 1.4161e-03 1.2306e-04 3.5023e-04 7.0477e+00 2.4524e+00
|
||||
174 1.8588e-03 1.4160e-03 1.2301e-04 3.5023e-04 7.0477e+00 2.4524e+00
|
||||
175 1.8590e-03 1.4159e-03 1.2298e-04 3.5023e-04 7.0477e+00 2.4524e+00
|
||||
176 1.8591e-03 1.4158e-03 1.2294e-04 3.5023e-04 7.0477e+00 2.4524e+00
|
||||
177 1.8592e-03 1.4157e-03 1.2291e-04 3.5023e-04 7.0477e+00 2.4524e+00
|
||||
178 1.8593e-03 1.4156e-03 1.2289e-04 3.5023e-04 7.0477e+00 2.4524e+00
|
||||
179 1.8594e-03 1.4155e-03 1.2286e-04 3.5024e-04 7.0477e+00 2.4524e+00
|
||||
180 1.8595e-03 1.4154e-03 1.2284e-04 3.5024e-04 7.0477e+00 2.4524e+00
|
||||
181 1.8596e-03 1.4153e-03 1.2283e-04 3.5024e-04 7.0477e+00 2.4524e+00
|
||||
182 1.8597e-03 1.4152e-03 1.2281e-04 3.5024e-04 7.0477e+00 2.4524e+00
|
||||
183 1.8598e-03 1.4151e-03 1.2279e-04 3.5024e-04 7.0477e+00 2.4524e+00
|
||||
184 1.8599e-03 1.4150e-03 1.2278e-04 3.5025e-04 7.0477e+00 2.4524e+00
|
||||
185 1.8601e-03 1.4150e-03 1.2277e-04 3.5025e-04 7.0477e+00 2.4524e+00
|
||||
186 1.8602e-03 1.4149e-03 1.2276e-04 3.5025e-04 7.0477e+00 2.4524e+00
|
||||
187 1.8603e-03 1.4148e-03 1.2275e-04 3.5025e-04 7.0477e+00 2.4524e+00
|
||||
188 1.8604e-03 1.4147e-03 1.2274e-04 3.5026e-04 7.0477e+00 2.4524e+00
|
||||
189 1.8605e-03 1.4146e-03 1.2274e-04 3.5026e-04 7.0477e+00 2.4524e+00
|
||||
190 1.8606e-03 1.4145e-03 1.2273e-04 3.5026e-04 7.0477e+00 2.4524e+00
|
||||
191 1.8607e-03 1.4144e-03 1.2273e-04 3.5026e-04 7.0477e+00 2.4524e+00
|
||||
192 1.8608e-03 1.4143e-03 1.2272e-04 3.5027e-04 7.0477e+00 2.4524e+00
|
||||
193 1.8608e-03 1.4142e-03 1.2272e-04 3.5027e-04 7.0477e+00 2.4524e+00
|
||||
194 1.8609e-03 1.4141e-03 1.2271e-04 3.5027e-04 7.0477e+00 2.4524e+00
|
||||
195 1.8610e-03 1.4140e-03 1.2271e-04 3.5027e-04 7.0477e+00 2.4524e+00
|
||||
196 1.8611e-03 1.4140e-03 1.2271e-04 3.5028e-04 7.0477e+00 2.4524e+00
|
||||
197 1.8612e-03 1.4139e-03 1.2270e-04 3.5028e-04 7.0477e+00 2.4524e+00
|
||||
198 1.8613e-03 1.4138e-03 1.2270e-04 3.5028e-04 7.0477e+00 2.4524e+00
|
||||
199 1.8614e-03 1.4137e-03 1.2270e-04 3.5028e-04 7.0477e+00 2.4524e+00
|
||||
200 1.8615e-03 1.4136e-03 1.2270e-04 3.5028e-04 7.0477e+00 2.4524e+00
|
||||
|
||||
@ -157,11 +157,19 @@ Reading input data for simulation 1.
|
||||
WARNING: Cell-lengths were read for 1 cells. Last value is used till cell 10.
|
||||
WARNING: Dispersivities were read for 1 cells. Last value is used till cell 10.
|
||||
END
|
||||
WARNING:
|
||||
Calculating transport: 10 (mobile) cells, 20 shifts, 1 mixruns...
|
||||
|
||||
|
||||
TRANSPORT Last 55 hours with background infilling solution
|
||||
shifts 55
|
||||
COPY cell 100 0 # for the 20 cell model...
|
||||
COPY cell 101 1-20
|
||||
END
|
||||
WARNING:
|
||||
Calculating transport: 10 (mobile) cells, 55 shifts, 1 mixruns...
|
||||
|
||||
|
||||
USER_PUNCH
|
||||
start
|
||||
10 punch TOTAL_TIME/3600 + 3600/4/3600
|
||||
@ -209,10 +217,14 @@ WARNING: Dispersivities were read for 1 cells. Last value is used till cell 20.
|
||||
END
|
||||
WARNING: USER_PUNCH: Headings count does not match number of calls to PUNCH.
|
||||
|
||||
WARNING:
|
||||
Calculating transport: 20 (mobile) cells, 40 shifts, 1 mixruns...
|
||||
|
||||
|
||||
TRANSPORT Last 55 hours with background infilling solution
|
||||
shifts 110
|
||||
END
|
||||
-------------------------------
|
||||
End of Run after 5.485 Seconds.
|
||||
-------------------------------
|
||||
WARNING:
|
||||
Calculating transport: 20 (mobile) cells, 110 shifts, 1 mixruns...
|
||||
|
||||
|
||||
|
||||
@ -1,5 +1,5 @@
|
||||
sim state soln dist_x time step pH pe m_Nta-3 m_CoNta- m_HNta-2 m_Co+2 hours Co_sorb CoNta_sorb Biomass
|
||||
1 transp 10 9.5 0 0 6 14.3937 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 5.0000e-01 0.0000e+00 0.0000e+00 0.0000e+00
|
||||
1 transp 10 9.5 0 0 6 14.3937 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 5.0000e-01 0.0000e+00 0.0000e+00 1.3600e-04
|
||||
1 transp 10 9.5 3600 1 6 14.3937 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 1.5000e+00 0.0000e+00 0.0000e+00 1.3572e-04
|
||||
1 transp 10 9.5 7200 2 6 14.3937 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 2.5000e+00 0.0000e+00 0.0000e+00 1.3544e-04
|
||||
1 transp 10 9.5 10800 3 6 14.3937 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 3.5000e+00 0.0000e+00 0.0000e+00 1.3515e-04
|
||||
@ -20,7 +20,7 @@
|
||||
1 transp 10 9.5 64800 18 6.50914 13.8808 4.1316e-11 4.4051e-07 2.5526e-07 2.1274e-08 1.8500e+01 2.2982e-11 1.9215e-10 1.5306e-04
|
||||
1 transp 10 9.5 68400 19 6.52519 13.8647 4.4065e-11 5.5820e-07 2.6236e-07 2.5276e-08 1.9500e+01 2.9022e-11 2.4826e-10 1.5586e-04
|
||||
1 transp 10 9.5 72000 20 6.53959 13.8502 4.6562e-11 6.8880e-07 2.6819e-07 2.9517e-08 2.0500e+01 3.5915e-11 3.1170e-10 1.5876e-04
|
||||
2 transp 10 9.5 72000 0 6.53959 13.8502 4.6562e-11 6.8880e-07 2.6819e-07 2.9517e-08 2.0500e+01 0.0000e+00 0.0000e+00 0.0000e+00
|
||||
2 transp 10 9.5 72000 0 6.53959 13.8502 4.6562e-11 6.8880e-07 2.6819e-07 2.9517e-08 2.0500e+01 3.5915e-11 3.1170e-10 1.5876e-04
|
||||
2 transp 10 9.5 75600 1 6.55254 13.8371 4.8804e-11 8.3068e-07 2.7284e-07 3.3961e-08 2.1500e+01 4.3669e-11 3.8179e-10 1.6174e-04
|
||||
2 transp 10 9.5 79200 2 6.56419 13.8254 5.0791e-11 9.8198e-07 2.7644e-07 3.8576e-08 2.2500e+01 5.2280e-11 4.5769e-10 1.6481e-04
|
||||
2 transp 10 9.5 82800 3 6.57469 13.8148 5.2526e-11 1.1406e-06 2.7905e-07 4.3329e-08 2.3500e+01 6.1739e-11 5.3842e-10 1.6796e-04
|
||||
@ -76,7 +76,7 @@
|
||||
2 transp 10 9.5 262800 53 6.00741 14.3863 3.2200e-13 2.4501e-08 6.3161e-09 1.5182e-07 7.3500e+01 7.3678e-10 1.7238e-11 2.6756e-04
|
||||
2 transp 10 9.5 266400 54 6.00603 14.3877 2.6398e-13 2.0046e-08 5.1944e-09 1.5152e-07 7.4500e+01 7.3880e-10 1.4145e-11 2.6713e-04
|
||||
2 transp 10 9.5 270000 55 6.0049 14.3888 2.1600e-13 1.6379e-08 4.2615e-09 1.5130e-07 7.5500e+01 7.4066e-10 1.1589e-11 2.6667e-04
|
||||
3 transp 20 9.75 0 0 6 14.3937 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 2.5000e-01 0.0000e+00 0.0000e+00 0.0000e+00
|
||||
3 transp 20 9.75 0 0 6 14.3937 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 2.5000e-01 0.0000e+00 0.0000e+00 1.3600e-04
|
||||
3 transp 20 9.75 3600 2 6 14.3937 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 1.2500e+00 0.0000e+00 0.0000e+00 1.3572e-04
|
||||
3 transp 20 9.75 7200 4 6 14.3937 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 2.2500e+00 0.0000e+00 0.0000e+00 1.3544e-04
|
||||
3 transp 20 9.75 10800 6 6 14.3937 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 3.2500e+00 0.0000e+00 0.0000e+00 1.3515e-04
|
||||
@ -97,7 +97,7 @@
|
||||
3 transp 20 9.75 64800 36 6.50373 13.8863 4.0006e-11 3.5884e-07 2.5026e-07 1.7897e-08 1.8250e+01 1.6082e-11 1.3490e-10 1.5046e-04
|
||||
3 transp 20 9.75 68400 38 6.52082 13.8691 4.2945e-11 4.6679e-07 2.5828e-07 2.1688e-08 1.9250e+01 2.0945e-11 1.8130e-10 1.5310e-04
|
||||
3 transp 20 9.75 72000 40 6.53617 13.8536 4.5647e-11 5.8950e-07 2.6500e-07 2.5768e-08 2.0250e+01 2.6637e-11 2.3572e-10 1.5584e-04
|
||||
4 transp 20 9.75 72000 0 6.53617 13.8536 4.5647e-11 5.8950e-07 2.6500e-07 2.5768e-08 2.0250e+01 0.0000e+00 0.0000e+00 0.0000e+00
|
||||
4 transp 20 9.75 72000 0 6.53617 13.8536 4.5647e-11 5.8950e-07 2.6500e-07 2.5768e-08 2.0250e+01 2.6637e-11 2.3572e-10 1.5584e-04
|
||||
4 transp 20 9.75 75600 2 6.54997 13.8397 4.8105e-11 7.2569e-07 2.7053e-07 3.0100e-08 2.1250e+01 3.3181e-11 2.9788e-10 1.5869e-04
|
||||
4 transp 20 9.75 79200 4 6.5624 13.8272 5.0312e-11 8.7369e-07 2.7496e-07 3.4649e-08 2.2250e+01 4.0590e-11 3.6721e-10 1.6162e-04
|
||||
4 transp 20 9.75 82800 6 6.57359 13.8159 5.2265e-11 1.0315e-06 2.7837e-07 3.9378e-08 2.3250e+01 4.8869e-11 4.4295e-10 1.6463e-04
|
||||
|
||||
@ -143,11 +143,19 @@ Reading input data for simulation 1.
|
||||
WARNING: Cell-lengths were read for 1 cells. Last value is used till cell 10.
|
||||
WARNING: Dispersivities were read for 1 cells. Last value is used till cell 10.
|
||||
END
|
||||
WARNING:
|
||||
Calculating transport: 10 (mobile) cells, 20 shifts, 1 mixruns...
|
||||
|
||||
|
||||
TRANSPORT Last 55 hours with background infilling solution
|
||||
shifts 55
|
||||
COPY cell 100 0 # for the 20 cell model...
|
||||
COPY cell 101 1-20
|
||||
END
|
||||
WARNING:
|
||||
Calculating transport: 10 (mobile) cells, 55 shifts, 1 mixruns...
|
||||
|
||||
|
||||
USER_PUNCH
|
||||
start
|
||||
10 punch TOTAL_TIME/3600 + 3600/4/3600
|
||||
@ -186,10 +194,14 @@ WARNING: Dispersivities were read for 1 cells. Last value is used till cell 20.
|
||||
END
|
||||
WARNING: USER_PUNCH: Headings count does not match number of calls to PUNCH.
|
||||
|
||||
WARNING:
|
||||
Calculating transport: 20 (mobile) cells, 40 shifts, 1 mixruns...
|
||||
|
||||
|
||||
TRANSPORT Last 55 hours with background infilling solution
|
||||
shifts 110
|
||||
END
|
||||
-------------------------------
|
||||
End of Run after 5.233 Seconds.
|
||||
-------------------------------
|
||||
WARNING:
|
||||
Calculating transport: 20 (mobile) cells, 110 shifts, 1 mixruns...
|
||||
|
||||
|
||||
|
||||
@ -186,7 +186,3 @@ WARNING: Dispersivities were read for 1 cells. Last value is used till cell 20.
|
||||
TRANSPORT Last 55 hours with background infilling solution
|
||||
shifts 110
|
||||
END
|
||||
-------------------------------
|
||||
End of Run after 5.211 Seconds.
|
||||
-------------------------------
|
||||
|
||||
|
||||
@ -78,15 +78,16 @@ Initial solution 1.
|
||||
|
||||
pH = 6.200
|
||||
pe = 4.000
|
||||
Specific Conductance (µS/cm, 25°C) = 37
|
||||
Density (g/cm³) = 0.99708
|
||||
Specific Conductance (µS/cm, 25°C) = 37
|
||||
Density (g/cm³) = 0.99708
|
||||
Volume (L) = 1.00300
|
||||
Viscosity (mPa s) = 0.89033
|
||||
Activity of water = 1.000
|
||||
Ionic strength (mol/kgw) = 4.852e-04
|
||||
Mass of water (kg) = 1.000e+00
|
||||
Total carbon (mol/kg) = 7.825e-04
|
||||
Total CO2 (mol/kg) = 7.825e-04
|
||||
Temperature (°C) = 25.00
|
||||
Temperature (°C) = 25.00
|
||||
Electrical balance (eq) = 1.400e-05
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 1.90
|
||||
Iterations = 7
|
||||
@ -96,58 +97,59 @@ Initial solution 1.
|
||||
----------------------------Distribution of species----------------------------
|
||||
|
||||
Log Log Log mole V
|
||||
Species Molality Activity Molality Activity Gamma cm³/mol
|
||||
Species Molality Activity Molality Activity Gamma cm³/mol
|
||||
|
||||
H+ 6.465e-07 6.310e-07 -6.189 -6.200 -0.011 0.00
|
||||
OH- 1.645e-08 1.604e-08 -7.784 -7.795 -0.011 -4.12
|
||||
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
|
||||
C(4) 7.825e-04
|
||||
CO2 4.540e-04 4.540e-04 -3.343 -3.343 0.000 34.43
|
||||
HCO3- 3.281e-04 3.200e-04 -3.484 -3.495 -0.011 24.67
|
||||
HCO3- 3.281e-04 3.200e-04 -3.484 -3.495 -0.011 24.54
|
||||
CaHCO3+ 2.940e-07 2.868e-07 -6.532 -6.542 -0.011 9.66
|
||||
MgHCO3+ 1.003e-07 9.781e-08 -6.999 -7.010 -0.011 5.47
|
||||
CO3-2 2.628e-08 2.379e-08 -7.580 -7.624 -0.043 -5.31
|
||||
NaHCO3 2.351e-08 2.352e-08 -7.629 -7.629 0.000 1.80
|
||||
(CO2)2 3.783e-09 3.784e-09 -8.422 -8.422 0.000 68.87
|
||||
MgHCO3+ 1.003e-07 9.779e-08 -6.999 -7.010 -0.011 5.47
|
||||
NaHCO3 2.795e-08 2.796e-08 -7.554 -7.554 0.000 28.00
|
||||
CO3-2 2.628e-08 2.379e-08 -7.580 -7.624 -0.043 -4.11
|
||||
(CO2)2 3.783e-09 3.783e-09 -8.422 -8.422 0.000 68.87
|
||||
CaCO3 2.806e-09 2.807e-09 -8.552 -8.552 0.000 -14.60
|
||||
MgCO3 5.928e-10 5.929e-10 -9.227 -9.227 0.000 -17.09
|
||||
NaCO3- 5.935e-11 5.788e-11 -10.227 -10.238 -0.011 -1.04
|
||||
MgCO3 5.927e-10 5.927e-10 -9.227 -9.227 0.000 -17.09
|
||||
Ca 7.800e-05
|
||||
Ca+2 7.760e-05 7.023e-05 -4.110 -4.153 -0.043 -18.17
|
||||
CaHCO3+ 2.940e-07 2.868e-07 -6.532 -6.542 -0.011 9.66
|
||||
CaSO4 1.110e-07 1.111e-07 -6.954 -6.954 0.000 7.50
|
||||
CaSO4 1.110e-07 1.110e-07 -6.955 -6.955 0.000 7.50
|
||||
CaCO3 2.806e-09 2.807e-09 -8.552 -8.552 0.000 -14.60
|
||||
CaOH+ 1.894e-11 1.847e-11 -10.723 -10.733 -0.011 (0)
|
||||
CaHSO4+ 4.723e-13 4.606e-13 -12.326 -12.337 -0.011 (0)
|
||||
CaHSO4+ 4.721e-13 4.604e-13 -12.326 -12.337 -0.011 (0)
|
||||
Cl 1.400e-05
|
||||
Cl- 1.400e-05 1.365e-05 -4.854 -4.865 -0.011 18.07
|
||||
HCl 2.966e-12 2.967e-12 -11.528 -11.528 0.000 (0)
|
||||
H(0) 5.636e-24
|
||||
H2 2.818e-24 2.818e-24 -23.550 -23.550 0.000 28.61
|
||||
K 2.800e-05
|
||||
K+ 2.800e-05 2.730e-05 -4.553 -4.564 -0.011 9.00
|
||||
KSO4- 1.749e-09 1.706e-09 -8.757 -8.768 -0.011 34.10
|
||||
KSO4- 9.153e-10 8.919e-10 -9.038 -9.050 -0.011 17.32
|
||||
Mg 2.900e-05
|
||||
Mg+2 2.885e-05 2.612e-05 -4.540 -4.583 -0.043 -21.86
|
||||
MgHCO3+ 1.003e-07 9.781e-08 -6.999 -7.010 -0.011 5.47
|
||||
MgSO4 5.444e-08 5.445e-08 -7.264 -7.264 0.000 5.84
|
||||
MgCO3 5.928e-10 5.929e-10 -9.227 -9.227 0.000 -17.09
|
||||
MgOH+ 1.541e-10 1.503e-10 -9.812 -9.823 -0.011 (0)
|
||||
Mg+2 2.884e-05 2.611e-05 -4.540 -4.583 -0.043 -21.86
|
||||
MgHCO3+ 1.003e-07 9.779e-08 -6.999 -7.010 -0.011 5.47
|
||||
MgSO4 6.076e-08 6.077e-08 -7.216 -7.216 0.000 -0.83
|
||||
MgCO3 5.927e-10 5.927e-10 -9.227 -9.227 0.000 -17.09
|
||||
MgOH+ 1.540e-10 1.503e-10 -9.812 -9.823 -0.011 (0)
|
||||
Mg(SO4)2-2 1.963e-12 1.779e-12 -11.707 -11.750 -0.043 33.91
|
||||
Na 1.340e-04
|
||||
Na+ 1.340e-04 1.307e-04 -3.873 -3.884 -0.011 -1.49
|
||||
NaHCO3 2.351e-08 2.352e-08 -7.629 -7.629 0.000 1.80
|
||||
NaSO4- 5.970e-09 5.823e-09 -8.224 -8.235 -0.011 13.66
|
||||
NaCO3- 5.935e-11 5.788e-11 -10.227 -10.238 -0.011 -1.04
|
||||
NaHCO3 2.795e-08 2.796e-08 -7.554 -7.554 0.000 28.00
|
||||
NaSO4- 4.656e-09 4.537e-09 -8.332 -8.343 -0.011 14.50
|
||||
NaOH 2.096e-22 2.096e-22 -21.679 -21.679 0.000 (0)
|
||||
O(0) 0.000e+00
|
||||
O2 0.000e+00 0.000e+00 -45.280 -45.280 0.000 30.40
|
||||
S(6) 1.000e-05
|
||||
SO4-2 9.827e-06 8.892e-06 -5.008 -5.051 -0.043 14.48
|
||||
CaSO4 1.110e-07 1.111e-07 -6.954 -6.954 0.000 7.50
|
||||
MgSO4 5.444e-08 5.445e-08 -7.264 -7.264 0.000 5.84
|
||||
NaSO4- 5.970e-09 5.823e-09 -8.224 -8.235 -0.011 13.66
|
||||
KSO4- 1.749e-09 1.706e-09 -8.757 -8.768 -0.011 34.10
|
||||
HSO4- 5.594e-10 5.455e-10 -9.252 -9.263 -0.011 40.27
|
||||
CaHSO4+ 4.723e-13 4.606e-13 -12.326 -12.337 -0.011 (0)
|
||||
SO4-2 9.823e-06 8.889e-06 -5.008 -5.051 -0.043 14.75
|
||||
CaSO4 1.110e-07 1.110e-07 -6.955 -6.955 0.000 7.50
|
||||
MgSO4 6.076e-08 6.077e-08 -7.216 -7.216 0.000 -0.83
|
||||
NaSO4- 4.656e-09 4.537e-09 -8.332 -8.343 -0.011 14.50
|
||||
KSO4- 9.153e-10 8.919e-10 -9.038 -9.050 -0.011 17.32
|
||||
HSO4- 5.592e-10 5.453e-10 -9.252 -9.263 -0.011 40.27
|
||||
Mg(SO4)2-2 1.963e-12 1.779e-12 -11.707 -11.750 -0.043 33.91
|
||||
CaHSO4+ 4.721e-13 4.604e-13 -12.326 -12.337 -0.011 (0)
|
||||
Si 2.730e-04
|
||||
H4SiO4 2.729e-04 2.730e-04 -3.564 -3.564 0.000 52.08
|
||||
H3SiO4- 6.542e-08 6.379e-08 -7.184 -7.195 -0.011 27.96
|
||||
@ -159,15 +161,20 @@ Si 2.730e-04
|
||||
|
||||
Anhydrite -4.93 -9.20 -4.28 CaSO4
|
||||
Aragonite -3.44 -11.78 -8.34 CaCO3
|
||||
Arcanite -12.30 -14.18 -1.88 K2SO4
|
||||
Calcite -3.30 -11.78 -8.48 CaCO3
|
||||
Chalcedony -0.01 -3.56 -3.55 SiO2
|
||||
Chrysotile -15.88 16.32 32.20 Mg3Si2O5(OH)4
|
||||
CO2(g) -1.87 -3.34 -1.47 CO2
|
||||
Dolomite -6.89 -23.98 -17.09 CaMg(CO3)2
|
||||
Dolomite -6.90 -23.98 -17.08 CaMg(CO3)2
|
||||
Epsomite -7.90 -9.63 -1.74 MgSO4:7H2O
|
||||
Gypsum -4.62 -9.20 -4.58 CaSO4:2H2O
|
||||
H2(g) -20.45 -23.55 -3.10 H2
|
||||
H2O(g) -1.50 -0.00 1.50 H2O
|
||||
Halite -10.32 -8.75 1.57 NaCl
|
||||
Hexahydrite -8.07 -9.63 -1.57 MgSO4:6H2O
|
||||
Kieserite -8.47 -9.63 -1.16 MgSO4:H2O
|
||||
Mirabilite -11.58 -12.82 -1.24 Na2SO4:10H2O
|
||||
O2(g) -42.39 -45.28 -2.89 O2
|
||||
Quartz 0.42 -3.56 -3.98 SiO2
|
||||
Sepiolite -10.82 4.94 15.76 Mg2Si3O7.5OH:3H2O
|
||||
@ -175,6 +182,7 @@ Si 2.730e-04
|
||||
SiO2(a) -0.85 -3.56 -2.71 SiO2
|
||||
Sylvite -10.33 -9.43 0.90 KCl
|
||||
Talc -12.20 9.20 21.40 Mg3Si4O10(OH)2
|
||||
Thenardite -12.52 -12.82 -0.30 Na2SO4
|
||||
|
||||
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
||||
For ideal gases, phi = 1.
|
||||
@ -198,76 +206,78 @@ Initial solution 2.
|
||||
|
||||
pH = 6.800
|
||||
pe = 4.000
|
||||
Specific Conductance (µS/cm, 25°C) = 94
|
||||
Density (g/cm³) = 0.99712
|
||||
Specific Conductance (µS/cm, 25°C) = 95
|
||||
Density (g/cm³) = 0.99712
|
||||
Volume (L) = 1.00301
|
||||
Viscosity (mPa s) = 0.89066
|
||||
Activity of water = 1.000
|
||||
Ionic strength (mol/kgw) = 1.314e-03
|
||||
Ionic strength (mol/kgw) = 1.313e-03
|
||||
Mass of water (kg) = 1.000e+00
|
||||
Total carbon (mol/kg) = 1.199e-03
|
||||
Total CO2 (mol/kg) = 1.199e-03
|
||||
Temperature (°C) = 25.00
|
||||
Temperature (°C) = 25.00
|
||||
Electrical balance (eq) = -1.400e-05
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.73
|
||||
Iterations = 6
|
||||
Iterations = 6 (13 overall)
|
||||
Total H = 1.110150e+02
|
||||
Total O = 5.551125e+01
|
||||
|
||||
----------------------------Distribution of species----------------------------
|
||||
|
||||
Log Log Log mole V
|
||||
Species Molality Activity Molality Activity Gamma cm³/mol
|
||||
Species Molality Activity Molality Activity Gamma cm³/mol
|
||||
|
||||
H+ 1.647e-07 1.585e-07 -6.783 -6.800 -0.017 0.00
|
||||
OH- 6.652e-08 6.386e-08 -7.177 -7.195 -0.018 -4.10
|
||||
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
|
||||
C(4) 1.199e-03
|
||||
HCO3- 8.907e-04 8.558e-04 -3.050 -3.068 -0.017 24.69
|
||||
HCO3- 8.907e-04 8.558e-04 -3.050 -3.068 -0.017 24.56
|
||||
CO2 3.049e-04 3.050e-04 -3.516 -3.516 0.000 34.43
|
||||
CaHCO3+ 2.484e-06 2.388e-06 -5.605 -5.622 -0.017 9.68
|
||||
MgHCO3+ 6.233e-07 5.985e-07 -6.205 -6.223 -0.018 5.48
|
||||
CO3-2 2.972e-07 2.532e-07 -6.527 -6.596 -0.069 -5.25
|
||||
NaHCO3 1.196e-07 1.197e-07 -6.922 -6.922 0.000 1.80
|
||||
MgHCO3+ 6.230e-07 5.982e-07 -6.205 -6.223 -0.018 5.48
|
||||
CO3-2 2.972e-07 2.532e-07 -6.527 -6.596 -0.069 -4.05
|
||||
NaHCO3 1.422e-07 1.423e-07 -6.847 -6.847 0.000 28.00
|
||||
CaCO3 9.300e-08 9.302e-08 -7.032 -7.031 0.000 -14.60
|
||||
MgCO3 1.444e-08 1.444e-08 -7.840 -7.840 0.000 -17.09
|
||||
MgCO3 1.443e-08 1.444e-08 -7.841 -7.841 0.000 -17.09
|
||||
(CO2)2 1.707e-09 1.707e-09 -8.768 -8.768 0.000 68.87
|
||||
NaCO3- 1.221e-09 1.172e-09 -8.913 -8.931 -0.018 -1.02
|
||||
Ca 2.600e-04
|
||||
Ca+2 2.567e-04 2.187e-04 -3.591 -3.660 -0.070 -18.13
|
||||
CaHCO3+ 2.484e-06 2.388e-06 -5.605 -5.622 -0.017 9.68
|
||||
CaSO4 7.909e-07 7.911e-07 -6.102 -6.102 0.000 7.50
|
||||
CaSO4 7.901e-07 7.903e-07 -6.102 -6.102 0.000 7.50
|
||||
CaCO3 9.300e-08 9.302e-08 -7.032 -7.031 0.000 -14.60
|
||||
CaOH+ 2.385e-10 2.290e-10 -9.623 -9.640 -0.018 (0)
|
||||
CaHSO4+ 8.583e-13 8.242e-13 -12.066 -12.084 -0.018 (0)
|
||||
CaHSO4+ 8.575e-13 8.234e-13 -12.067 -12.084 -0.018 (0)
|
||||
Cl 3.000e-05
|
||||
Cl- 3.000e-05 2.880e-05 -4.523 -4.541 -0.018 18.08
|
||||
HCl 1.571e-12 1.573e-12 -11.804 -11.803 0.001 (0)
|
||||
H(0) 3.555e-25
|
||||
H2 1.778e-25 1.778e-25 -24.750 -24.750 0.000 28.61
|
||||
K 4.000e-05
|
||||
K+ 4.000e-05 3.840e-05 -4.398 -4.416 -0.018 9.01
|
||||
KSO4- 5.713e-09 5.489e-09 -8.243 -8.261 -0.017 34.11
|
||||
KSO4- 2.993e-09 2.869e-09 -8.524 -8.542 -0.018 18.43
|
||||
Mg 7.101e-05
|
||||
Mg+2 7.008e-05 5.977e-05 -4.154 -4.224 -0.069 -21.81
|
||||
MgHCO3+ 6.233e-07 5.985e-07 -6.205 -6.223 -0.018 5.48
|
||||
MgSO4 2.850e-07 2.851e-07 -6.545 -6.545 0.000 5.84
|
||||
MgCO3 1.444e-08 1.444e-08 -7.840 -7.840 0.000 -17.09
|
||||
MgOH+ 1.424e-09 1.369e-09 -8.846 -8.864 -0.017 (0)
|
||||
Mg+2 7.005e-05 5.974e-05 -4.155 -4.224 -0.069 -21.81
|
||||
MgHCO3+ 6.230e-07 5.982e-07 -6.205 -6.223 -0.018 5.48
|
||||
MgSO4 3.177e-07 3.179e-07 -6.498 -6.498 0.000 -0.83
|
||||
MgCO3 1.443e-08 1.444e-08 -7.841 -7.841 0.000 -17.09
|
||||
MgOH+ 1.424e-09 1.369e-09 -8.847 -8.864 -0.017 (0)
|
||||
Mg(SO4)2-2 2.490e-11 2.128e-11 -10.604 -10.672 -0.068 35.32
|
||||
Na 2.590e-04
|
||||
Na+ 2.589e-04 2.486e-04 -3.587 -3.604 -0.018 -1.47
|
||||
NaHCO3 1.196e-07 1.197e-07 -6.922 -6.922 0.000 1.80
|
||||
NaSO4- 2.639e-08 2.535e-08 -7.579 -7.596 -0.017 13.77
|
||||
NaCO3- 1.221e-09 1.172e-09 -8.913 -8.931 -0.018 -1.02
|
||||
NaHCO3 1.422e-07 1.423e-07 -6.847 -6.847 0.000 28.00
|
||||
NaSO4- 2.060e-08 1.974e-08 -7.686 -7.705 -0.018 14.55
|
||||
NaOH 1.587e-21 1.588e-21 -20.799 -20.799 0.000 (0)
|
||||
O(0) 0.000e+00
|
||||
O2 0.000e+00 0.000e+00 -42.880 -42.880 0.000 30.40
|
||||
S(6) 2.500e-05
|
||||
SO4-2 2.389e-05 2.034e-05 -4.622 -4.692 -0.070 14.53
|
||||
CaSO4 7.909e-07 7.911e-07 -6.102 -6.102 0.000 7.50
|
||||
MgSO4 2.850e-07 2.851e-07 -6.545 -6.545 0.000 5.84
|
||||
NaSO4- 2.639e-08 2.535e-08 -7.579 -7.596 -0.017 13.77
|
||||
KSO4- 5.713e-09 5.489e-09 -8.243 -8.261 -0.017 34.11
|
||||
HSO4- 3.265e-10 3.135e-10 -9.486 -9.504 -0.018 40.28
|
||||
CaHSO4+ 8.583e-13 8.242e-13 -12.066 -12.084 -0.018 (0)
|
||||
SO4-2 2.387e-05 2.032e-05 -4.622 -4.692 -0.070 14.81
|
||||
CaSO4 7.901e-07 7.903e-07 -6.102 -6.102 0.000 7.50
|
||||
MgSO4 3.177e-07 3.179e-07 -6.498 -6.498 0.000 -0.83
|
||||
NaSO4- 2.060e-08 1.974e-08 -7.686 -7.705 -0.018 14.55
|
||||
KSO4- 2.993e-09 2.869e-09 -8.524 -8.542 -0.018 18.43
|
||||
HSO4- 3.262e-10 3.132e-10 -9.487 -9.504 -0.018 40.28
|
||||
Mg(SO4)2-2 2.490e-11 2.128e-11 -10.604 -10.672 -0.068 35.32
|
||||
CaHSO4+ 8.575e-13 8.234e-13 -12.067 -12.084 -0.018 (0)
|
||||
Si 4.100e-04
|
||||
H4SiO4 4.096e-04 4.098e-04 -3.388 -3.387 0.000 52.08
|
||||
H3SiO4- 3.970e-07 3.812e-07 -6.401 -6.419 -0.018 27.98
|
||||
@ -279,15 +289,20 @@ Si 4.100e-04
|
||||
|
||||
Anhydrite -4.07 -8.35 -4.28 CaSO4
|
||||
Aragonite -1.92 -10.26 -8.34 CaCO3
|
||||
Arcanite -11.64 -13.52 -1.88 K2SO4
|
||||
Calcite -1.78 -10.26 -8.48 CaCO3
|
||||
Chalcedony 0.16 -3.39 -3.55 SiO2
|
||||
Chrysotile -10.85 21.35 32.20 Mg3Si2O5(OH)4
|
||||
CO2(g) -2.05 -3.52 -1.47 CO2
|
||||
Dolomite -3.99 -21.08 -17.09 CaMg(CO3)2
|
||||
Dolomite -3.99 -21.08 -17.08 CaMg(CO3)2
|
||||
Epsomite -7.18 -8.92 -1.74 MgSO4:7H2O
|
||||
Gypsum -3.77 -8.35 -4.58 CaSO4:2H2O
|
||||
H2(g) -21.65 -24.75 -3.10 H2
|
||||
H2O(g) -1.50 -0.00 1.50 H2O
|
||||
Halite -9.71 -8.14 1.57 NaCl
|
||||
Hexahydrite -7.35 -8.92 -1.57 MgSO4:6H2O
|
||||
Kieserite -7.75 -8.92 -1.16 MgSO4:H2O
|
||||
Mirabilite -10.66 -11.90 -1.24 Na2SO4:10H2O
|
||||
O2(g) -39.99 -42.88 -2.89 O2
|
||||
Quartz 0.59 -3.39 -3.98 SiO2
|
||||
Sepiolite -7.17 8.59 15.76 Mg2Si3O7.5OH:3H2O
|
||||
@ -295,6 +310,7 @@ Si 4.100e-04
|
||||
SiO2(a) -0.68 -3.39 -2.71 SiO2
|
||||
Sylvite -9.86 -8.96 0.90 KCl
|
||||
Talc -6.82 14.58 21.40 Mg3Si4O10(OH)2
|
||||
Thenardite -11.60 -11.90 -0.30 Na2SO4
|
||||
|
||||
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
||||
For ideal gases, phi = 1.
|
||||
@ -347,15 +363,15 @@ Solution fractions: Minimum Maximum
|
||||
Solution 1 1.000e+00 1.000e+00 1.000e+00
|
||||
Solution 2 1.000e+00 1.000e+00 1.000e+00
|
||||
|
||||
Phase mole transfers: Minimum Maximum
|
||||
Halite 1.600e-05 1.490e-05 1.710e-05 NaCl
|
||||
Gypsum 1.500e-05 1.413e-05 1.588e-05 CaSO4:2H2O
|
||||
Kaolinite -3.392e-05 -5.587e-05 -1.224e-05 Al2Si2O5(OH)4
|
||||
Ca-Montmorillon -8.090e-05 -1.100e-04 -5.154e-05 Ca0.165Al2.33Si3.67O10(OH)2
|
||||
CO2(g) 3.006e-04 2.363e-04 3.655e-04 CO2
|
||||
Calcite 1.161e-04 1.007e-04 1.309e-04 CaCO3
|
||||
Biotite 1.370e-05 1.317e-05 1.370e-05 KMg3AlSi3O10(OH)2
|
||||
Plagioclase 1.758e-04 1.582e-04 1.935e-04 Na0.62Ca0.38Al1.38Si2.62O8
|
||||
Phase mole transfers: Minimum Maximum Formula (Approximate SI in solution 1, 2 at 298 K, 1 atm)
|
||||
Halite 1.600e-05 1.490e-05 1.710e-05 NaCl (-10.32, -9.71)
|
||||
Gypsum 1.500e-05 1.413e-05 1.588e-05 CaSO4:2H2O ( -4.62, -3.77)
|
||||
Kaolinite -3.392e-05 -5.587e-05 -1.224e-05 Al2Si2O5(OH)4 ( , )
|
||||
Ca-Montmorillon -8.090e-05 -1.100e-04 -5.154e-05 Ca0.165Al2.33Si3.67O10(OH ( , )
|
||||
CO2(g) 3.006e-04 2.363e-04 3.656e-04 CO2 ( -1.87, -2.05)
|
||||
Calcite 1.161e-04 1.007e-04 1.309e-04 CaCO3 ( -3.30, -1.78)
|
||||
Biotite 1.370e-05 1.317e-05 1.370e-05 KMg3AlSi3O10(OH)2 ( , )
|
||||
Plagioclase 1.758e-04 1.582e-04 1.935e-04 Na0.62Ca0.38Al1.38Si2.62O ( , )
|
||||
|
||||
Redox mole transfers:
|
||||
|
||||
@ -409,15 +425,15 @@ Solution fractions: Minimum Maximum
|
||||
Solution 1 1.000e+00 1.000e+00 1.000e+00
|
||||
Solution 2 1.000e+00 1.000e+00 1.000e+00
|
||||
|
||||
Phase mole transfers: Minimum Maximum
|
||||
Halite 1.600e-05 1.490e-05 1.710e-05 NaCl
|
||||
Gypsum 1.500e-05 1.413e-05 1.588e-05 CaSO4:2H2O
|
||||
Kaolinite -1.282e-04 -1.403e-04 -1.159e-04 Al2Si2O5(OH)4
|
||||
CO2(g) 3.140e-04 2.490e-04 3.795e-04 CO2
|
||||
Calcite 1.028e-04 8.680e-05 1.182e-04 CaCO3
|
||||
Chalcedony -1.084e-04 -1.473e-04 -6.906e-05 SiO2
|
||||
Biotite 1.370e-05 1.317e-05 1.370e-05 KMg3AlSi3O10(OH)2
|
||||
Plagioclase 1.758e-04 1.582e-04 1.935e-04 Na0.62Ca0.38Al1.38Si2.62O8
|
||||
Phase mole transfers: Minimum Maximum Formula (Approximate SI in solution 1, 2 at 298 K, 1 atm)
|
||||
Halite 1.600e-05 1.490e-05 1.710e-05 NaCl (-10.32, -9.71)
|
||||
Gypsum 1.500e-05 1.413e-05 1.588e-05 CaSO4:2H2O ( -4.62, -3.77)
|
||||
Kaolinite -1.282e-04 -1.403e-04 -1.159e-04 Al2Si2O5(OH)4 ( , )
|
||||
CO2(g) 3.140e-04 2.490e-04 3.795e-04 CO2 ( -1.87, -2.05)
|
||||
Calcite 1.028e-04 8.680e-05 1.182e-04 CaCO3 ( -3.30, -1.78)
|
||||
Chalcedony -1.084e-04 -1.473e-04 -6.906e-05 SiO2 ( -0.01, 0.16)
|
||||
Biotite 1.370e-05 1.317e-05 1.370e-05 KMg3AlSi3O10(OH)2 ( , )
|
||||
Plagioclase 1.758e-04 1.582e-04 1.935e-04 Na0.62Ca0.38Al1.38Si2.62O ( , )
|
||||
|
||||
Redox mole transfers:
|
||||
|
||||
@ -443,7 +459,3 @@ End of simulation.
|
||||
Reading input data for simulation 2.
|
||||
------------------------------------
|
||||
|
||||
-------------------------------
|
||||
End of Run after 0.019 Seconds.
|
||||
-------------------------------
|
||||
|
||||
|
||||
@ -90,15 +90,16 @@ Initial solution 1. Black Sea water
|
||||
|
||||
pH = 8.000
|
||||
pe = 4.000
|
||||
Specific Conductance (µS/cm, 25°C) = 30387
|
||||
Density (g/cm³) = 1.01092
|
||||
Volume (L) = 1.00789
|
||||
Specific Conductance (µS/cm, 25°C) = 30482
|
||||
Density (g/cm³) = 1.01090
|
||||
Volume (L) = 1.00790
|
||||
Viscosity (mPa s) = 0.92638
|
||||
Activity of water = 0.990
|
||||
Ionic strength (mol/kgw) = 3.751e-01
|
||||
Mass of water (kg) = 1.000e+00
|
||||
Total alkalinity (eq/kg) = 7.601e-04
|
||||
Total CO2 (mol/kg) = 7.375e-04
|
||||
Temperature (°C) = 25.00
|
||||
Temperature (°C) = 25.00
|
||||
Electrical balance (eq) = 2.359e-03
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.36
|
||||
Iterations = 8
|
||||
@ -112,7 +113,7 @@ Initial solution 1. Black Sea water
|
||||
|
||||
MacInnes MacInnes
|
||||
MacInnes Log Log Log mole V
|
||||
Species Molality Activity Molality Activity Gamma cm³/mol
|
||||
Species Molality Activity Molality Activity Gamma cm³/mol
|
||||
|
||||
OH- 1.669e-06 1.002e-06 -5.777 -5.999 -0.222 -3.15
|
||||
H+ 1.290e-08 1.000e-08 -7.890 -8.000 -0.110 0.00
|
||||
@ -120,8 +121,8 @@ Initial solution 1. Black Sea water
|
||||
Br 4.401e-04
|
||||
Br- 4.401e-04 3.007e-04 -3.356 -3.522 -0.165 25.07
|
||||
C(4) 7.375e-04
|
||||
HCO3- 6.974e-04 4.854e-04 -3.157 -3.314 -0.157 25.91
|
||||
CO3-2 1.577e-05 2.223e-06 -4.802 -5.653 -0.851 -1.35
|
||||
HCO3- 6.974e-04 4.854e-04 -3.157 -3.314 -0.157 25.88
|
||||
CO3-2 1.577e-05 2.223e-06 -4.802 -5.653 -0.851 -1.45
|
||||
MgCO3 1.412e-05 1.412e-05 -4.850 -4.850 0.000 -17.09
|
||||
CO2 1.018e-05 1.076e-05 -4.992 -4.968 0.024 34.43
|
||||
Ca 5.841e-03
|
||||
@ -137,7 +138,7 @@ Mg 2.807e-02
|
||||
Na 2.544e-01
|
||||
Na+ 2.544e-01 1.837e-01 -0.595 -0.736 -0.141 -0.74
|
||||
S(6) 1.527e-02
|
||||
SO4-2 1.527e-02 2.084e-03 -1.816 -2.681 -0.865 17.32
|
||||
SO4-2 1.527e-02 2.084e-03 -1.816 -2.681 -0.865 18.12
|
||||
HSO4- 2.901e-09 1.985e-09 -8.537 -8.702 -0.165 40.79
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
@ -152,10 +153,10 @@ S(6) 1.527e-02
|
||||
Bloedite -6.63 -8.98 -2.35 Na2Mg(SO4)2:4H2O
|
||||
Brucite -3.24 -14.12 -10.88 Mg(OH)2
|
||||
Burkeite -14.66 -15.43 -0.77 Na6CO3(SO4)2
|
||||
Calcite 0.01 -8.49 -8.50 CaCO3
|
||||
Calcite -0.09 -8.49 -8.41 CaCO3
|
||||
Carnallite -11.16 -6.74 4.42 KMgCl3:6H2O
|
||||
CO2(g) -3.50 -4.97 -1.47 CO2 Pressure 0.0 atm, phi 1.000
|
||||
Dolomite 0.81 -16.27 -17.08 CaMg(CO3)2
|
||||
Dolomite 0.82 -16.27 -17.09 CaMg(CO3)2
|
||||
Epsomite -2.99 -4.84 -1.85 MgSO4:7H2O
|
||||
Gaylussite -6.22 -15.64 -9.42 CaNa2(CO3)2:5H2O
|
||||
Glaserite -9.69 -13.50 -3.80 NaK3(SO4)2
|
||||
@ -211,18 +212,19 @@ Initial solution 2. Composition during halite precipitation
|
||||
|
||||
pH = 5.000
|
||||
pe = 4.000
|
||||
Specific Conductance (µS/cm, 25°C) = 187052
|
||||
Density (g/cm³) = 1.27230
|
||||
Volume (L) = 1.13169
|
||||
Specific Conductance (µS/cm, 25°C) = 189938
|
||||
Density (g/cm³) = 1.27454
|
||||
Volume (L) = 1.12971
|
||||
Viscosity (mPa s) = 3.68619
|
||||
Activity of water = 0.678
|
||||
Ionic strength (mol/kgw) = 1.111e+01
|
||||
Mass of water (kg) = 1.000e+00
|
||||
Total alkalinity (eq/kg) = 7.522e-06
|
||||
Total CO2 (mol/kg) = 6.950e-06
|
||||
Temperature (°C) = 25.00
|
||||
Temperature (°C) = 25.00
|
||||
Electrical balance (eq) = 4.629e-02
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.29
|
||||
Iterations = 16
|
||||
Iterations = 16 (24 overall)
|
||||
Gamma iterations = 7
|
||||
Osmotic coefficient = 1.72913
|
||||
Density of water = 0.99704
|
||||
@ -233,7 +235,7 @@ Initial solution 2. Composition during halite precipitation
|
||||
|
||||
MacInnes MacInnes
|
||||
MacInnes Log Log Log mole V
|
||||
Species Molality Activity Molality Activity Gamma cm³/mol
|
||||
Species Molality Activity Molality Activity Gamma cm³/mol
|
||||
|
||||
H+ 5.437e-07 1.000e-05 -6.265 -5.000 1.265 0.00
|
||||
OH- 1.211e-08 6.863e-10 -7.917 -9.163 -1.246 11.12
|
||||
@ -241,10 +243,10 @@ Initial solution 2. Composition during halite precipitation
|
||||
Br 3.785e-02
|
||||
Br- 3.785e-02 4.933e-02 -1.422 -1.307 0.115 26.52
|
||||
C(4) 6.950e-06
|
||||
HCO3- 4.243e-06 3.324e-07 -5.372 -6.478 -1.106 46.24
|
||||
HCO3- 4.243e-06 3.324e-07 -5.372 -6.478 -1.106 37.30
|
||||
CO2 2.631e-06 1.076e-05 -5.580 -4.968 0.612 34.43
|
||||
MgCO3 7.035e-08 7.035e-08 -7.153 -7.153 0.000 -17.09
|
||||
CO3-2 5.753e-09 1.522e-12 -8.240 -11.818 -3.578 14.97
|
||||
CO3-2 5.753e-09 1.522e-12 -8.240 -11.818 -3.578 14.43
|
||||
Cl 6.004e+00
|
||||
Cl- 6.004e+00 4.547e+00 0.778 0.658 -0.121 20.71
|
||||
K 4.578e-01
|
||||
@ -256,7 +258,7 @@ Mg 2.354e+00
|
||||
Na 2.720e+00
|
||||
Na+ 2.720e+00 8.832e+00 0.435 0.946 0.511 2.22
|
||||
S(6) 8.986e-01
|
||||
SO4-2 8.986e-01 2.396e-03 -0.046 -2.621 -2.574 30.60
|
||||
SO4-2 8.986e-01 2.396e-03 -0.046 -2.621 -2.574 28.39
|
||||
HSO4- 2.838e-06 2.282e-06 -5.547 -5.642 -0.095 42.44
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
@ -336,12 +338,12 @@ Solution fractions: Minimum Maximum
|
||||
Solution 1 8.815e+01 8.780e+01 8.815e+01
|
||||
Solution 2 1.000e+00 1.000e+00 1.000e+00
|
||||
|
||||
Phase mole transfers: Minimum Maximum
|
||||
H2O(g) -4.837e+03 -4.817e+03 -4.817e+03 H2O
|
||||
Calcite -3.350e-02 -3.434e-02 -3.253e-02 CaCO3
|
||||
CO2(g) -3.151e-02 -3.397e-02 -2.893e-02 CO2
|
||||
Gypsum -4.814e-01 -4.951e-01 -4.658e-01 CaSO4:2H2O
|
||||
Halite -1.975e+01 -2.033e+01 -1.902e+01 NaCl
|
||||
Phase mole transfers: Minimum Maximum Formula (Approximate SI in solution 1, 2 at 298 K, 1 atm)
|
||||
H2O(g) -4.837e+03 -4.817e+03 -4.817e+03 H2O ( -1.51, -1.67)
|
||||
Calcite -3.350e-02 -3.434e-02 -3.253e-02 CaCO3 ( -0.09, )
|
||||
CO2(g) -3.151e-02 -3.397e-02 -2.893e-02 CO2 ( -3.50, -3.50)
|
||||
Gypsum -4.814e-01 -4.951e-01 -4.658e-01 CaSO4:2H2O ( -0.93, )
|
||||
Halite -1.975e+01 -2.033e+01 -1.902e+01 NaCl ( -3.02, 0.02)
|
||||
|
||||
Redox mole transfers:
|
||||
|
||||
@ -367,7 +369,3 @@ End of simulation.
|
||||
Reading input data for simulation 2.
|
||||
------------------------------------
|
||||
|
||||
-------------------------------
|
||||
End of Run after 0.017 Seconds.
|
||||
-------------------------------
|
||||
|
||||
|
||||
File diff suppressed because it is too large
Load Diff
@ -117,16 +117,17 @@ Initial solution 1. Recharge number 3
|
||||
|
||||
pH = 7.550
|
||||
pe = 0.000
|
||||
Specific Conductance (µS/cm, 10°C) = 270
|
||||
Density (g/cm³) = 0.99999
|
||||
Specific Conductance (µS/cm, 10°C) = 271
|
||||
Density (g/cm³) = 0.99999
|
||||
Volume (L) = 1.00035
|
||||
Viscosity (mPa s) = 1.31276
|
||||
Activity of water = 1.000
|
||||
Ionic strength (mol/kgw) = 6.547e-03
|
||||
Ionic strength (mol/kgw) = 6.543e-03
|
||||
Mass of water (kg) = 1.000e+00
|
||||
Total alkalinity (eq/kg) = 4.016e-03
|
||||
Total CO2 (mol/kg) = 4.300e-03
|
||||
Temperature (°C) = 9.90
|
||||
Electrical balance (eq) = 1.061e-04
|
||||
Temperature (°C) = 9.90
|
||||
Electrical balance (eq) = 1.063e-04
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 1.24
|
||||
Iterations = 8
|
||||
Total H = 1.110164e+02
|
||||
@ -135,73 +136,74 @@ Initial solution 1. Recharge number 3
|
||||
----------------------------Distribution of species----------------------------
|
||||
|
||||
Log Log Log mole V
|
||||
Species Molality Activity Molality Activity Gamma cm³/mol
|
||||
Species Molality Activity Molality Activity Gamma cm³/mol
|
||||
|
||||
OH- 1.126e-07 1.034e-07 -6.948 -6.985 -0.037 -4.98
|
||||
H+ 3.038e-08 2.818e-08 -7.517 -7.550 -0.033 0.00
|
||||
H2O 5.551e+01 9.999e-01 1.744 -0.000 0.000 18.02
|
||||
C(4) 4.300e-03
|
||||
HCO3- 3.929e-03 3.622e-03 -2.406 -2.441 -0.035 23.19
|
||||
CO2 2.970e-04 2.974e-04 -3.527 -3.527 0.001 33.66
|
||||
MgHCO3+ 3.098e-05 2.848e-05 -4.509 -4.545 -0.036 4.93
|
||||
CaHCO3+ 3.026e-05 2.793e-05 -4.519 -4.554 -0.035 8.96
|
||||
CO3-2 5.766e-06 4.167e-06 -5.239 -5.380 -0.141 -7.22
|
||||
CaCO3 4.729e-06 4.736e-06 -5.325 -5.325 0.001 -14.66
|
||||
MgCO3 2.207e-06 2.210e-06 -5.656 -5.656 0.001 -17.07
|
||||
HCO3- 3.929e-03 3.622e-03 -2.406 -2.441 -0.035 22.87
|
||||
CO2 2.971e-04 2.974e-04 -3.527 -3.527 0.000 33.66
|
||||
MgHCO3+ 3.094e-05 2.845e-05 -4.510 -4.546 -0.036 4.93
|
||||
CaHCO3+ 3.027e-05 2.794e-05 -4.519 -4.554 -0.035 8.96
|
||||
CO3-2 5.766e-06 4.167e-06 -5.239 -5.380 -0.141 -6.29
|
||||
CaCO3 4.730e-06 4.737e-06 -5.325 -5.324 0.001 -14.66
|
||||
MgCO3 2.204e-06 2.208e-06 -5.657 -5.656 0.001 -17.07
|
||||
FeHCO3+ 2.086e-07 1.919e-07 -6.681 -6.717 -0.036 (0)
|
||||
FeCO3 5.287e-08 5.295e-08 -7.277 -7.276 0.001 (0)
|
||||
NaHCO3 4.088e-08 4.095e-08 -7.388 -7.388 0.001 1.80
|
||||
FeCO3 5.288e-08 5.296e-08 -7.277 -7.276 0.001 (0)
|
||||
NaHCO3 2.455e-08 2.463e-08 -7.610 -7.608 0.002 28.00
|
||||
(CO2)2 9.408e-10 9.423e-10 -9.026 -9.026 0.001 67.31
|
||||
NaCO3- 6.948e-10 6.391e-10 -9.158 -9.194 -0.036 -2.99
|
||||
Ca 1.200e-03
|
||||
Ca+2 1.152e-03 8.322e-04 -2.939 -3.080 -0.141 -18.31
|
||||
CaHCO3+ 3.026e-05 2.793e-05 -4.519 -4.554 -0.035 8.96
|
||||
CaSO4 1.288e-05 1.290e-05 -4.890 -4.889 0.001 6.78
|
||||
CaCO3 4.729e-06 4.736e-06 -5.325 -5.325 0.001 -14.66
|
||||
CaOH+ 5.327e-09 4.900e-09 -8.274 -8.310 -0.036 (0)
|
||||
CaHSO4+ 2.152e-12 1.980e-12 -11.667 -11.703 -0.036 (0)
|
||||
Ca+2 1.152e-03 8.324e-04 -2.938 -3.080 -0.141 -18.31
|
||||
CaHCO3+ 3.027e-05 2.794e-05 -4.519 -4.554 -0.035 8.96
|
||||
CaSO4 1.277e-05 1.279e-05 -4.894 -4.893 0.001 6.78
|
||||
CaCO3 4.730e-06 4.737e-06 -5.325 -5.324 0.001 -14.66
|
||||
CaOH+ 5.328e-09 4.901e-09 -8.273 -8.310 -0.036 (0)
|
||||
CaHSO4+ 2.133e-12 1.962e-12 -11.671 -11.707 -0.036 (0)
|
||||
Cl 2.000e-05
|
||||
Cl- 2.000e-05 1.838e-05 -4.699 -4.736 -0.037 17.40
|
||||
FeCl+ 1.461e-11 1.344e-11 -10.835 -10.872 -0.036 (0)
|
||||
HCl 1.948e-13 1.960e-13 -12.711 -12.708 0.003 (0)
|
||||
Fe(2) 1.000e-06
|
||||
Fe+2 7.296e-07 5.297e-07 -6.137 -6.276 -0.139 -23.20
|
||||
Fe+2 7.297e-07 5.298e-07 -6.137 -6.276 -0.139 -23.20
|
||||
FeHCO3+ 2.086e-07 1.919e-07 -6.681 -6.717 -0.036 (0)
|
||||
FeCO3 5.287e-08 5.295e-08 -7.277 -7.276 0.001 (0)
|
||||
FeSO4 6.907e-09 6.917e-09 -8.161 -8.160 0.001 39.09
|
||||
FeCO3 5.288e-08 5.296e-08 -7.277 -7.276 0.001 (0)
|
||||
FeSO4 6.846e-09 6.856e-09 -8.165 -8.164 0.001 39.09
|
||||
FeOH+ 1.965e-09 1.811e-09 -8.707 -8.742 -0.036 (0)
|
||||
FeCl+ 1.461e-11 1.344e-11 -10.835 -10.872 -0.036 (0)
|
||||
Fe(OH)2 1.369e-13 1.371e-13 -12.864 -12.863 0.001 (0)
|
||||
FeHSO4+ 1.370e-15 1.260e-15 -14.863 -14.900 -0.036 (0)
|
||||
Fe(OH)3- 1.677e-16 1.545e-16 -15.775 -15.811 -0.036 (0)
|
||||
FeHSO4+ 1.358e-15 1.249e-15 -14.867 -14.903 -0.036 (0)
|
||||
Fe(OH)3- 1.678e-16 1.546e-16 -15.775 -15.811 -0.036 (0)
|
||||
H(0) 1.316e-18
|
||||
H2 6.579e-19 6.588e-19 -18.182 -18.181 0.001 28.63
|
||||
K 2.000e-05
|
||||
K+ 1.999e-05 1.837e-05 -4.699 -4.736 -0.037 8.43
|
||||
KSO4- 1.042e-08 9.604e-09 -7.982 -8.018 -0.035 33.57
|
||||
KSO4- 9.288e-09 8.467e-09 -8.032 -8.072 -0.040 19.30
|
||||
Mg 1.010e-03
|
||||
Mg+2 9.661e-04 7.009e-04 -3.015 -3.154 -0.139 -21.10
|
||||
MgHCO3+ 3.098e-05 2.848e-05 -4.509 -4.545 -0.036 4.93
|
||||
MgSO4 1.070e-05 1.071e-05 -4.971 -4.970 0.001 5.11
|
||||
MgCO3 2.207e-06 2.210e-06 -5.656 -5.656 0.001 -17.07
|
||||
MgOH+ 2.324e-08 2.147e-08 -7.634 -7.668 -0.034 (0)
|
||||
Mg+2 9.648e-04 7.000e-04 -3.016 -3.155 -0.139 -21.10
|
||||
MgHCO3+ 3.094e-05 2.845e-05 -4.510 -4.546 -0.036 4.93
|
||||
MgSO4 1.203e-05 1.206e-05 -4.920 -4.918 0.001 -4.13
|
||||
MgCO3 2.204e-06 2.208e-06 -5.657 -5.656 0.001 -17.07
|
||||
MgOH+ 2.321e-08 2.144e-08 -7.634 -7.669 -0.034 (0)
|
||||
Mg(SO4)2-2 7.112e-09 5.204e-09 -8.148 -8.284 -0.136 35.28
|
||||
Na 2.000e-05
|
||||
Na+ 1.995e-05 1.837e-05 -4.700 -4.736 -0.036 -2.42
|
||||
NaHCO3 4.088e-08 4.095e-08 -7.388 -7.388 0.001 1.80
|
||||
NaSO4- 8.867e-09 8.175e-09 -8.052 -8.087 -0.035 14.34
|
||||
NaCO3- 6.948e-10 6.391e-10 -9.158 -9.194 -0.036 -2.99
|
||||
NaOH 1.897e-22 1.900e-22 -21.722 -21.721 0.001 (0)
|
||||
Na+ 1.996e-05 1.838e-05 -4.700 -4.736 -0.036 -2.42
|
||||
NaHCO3 2.455e-08 2.463e-08 -7.610 -7.608 0.002 28.00
|
||||
NaSO4- 1.104e-08 1.006e-08 -7.957 -7.997 -0.040 13.45
|
||||
NaOH 1.899e-22 1.902e-22 -21.722 -21.721 0.001 (0)
|
||||
O(0) 0.000e+00
|
||||
O2 0.000e+00 0.000e+00 -61.151 -61.151 0.001 28.94
|
||||
S(6) 1.600e-04
|
||||
SO4-2 1.364e-04 9.822e-05 -3.865 -4.008 -0.143 11.87
|
||||
CaSO4 1.288e-05 1.290e-05 -4.890 -4.889 0.001 6.78
|
||||
MgSO4 1.070e-05 1.071e-05 -4.971 -4.970 0.001 5.11
|
||||
KSO4- 1.042e-08 9.604e-09 -7.982 -8.018 -0.035 33.57
|
||||
NaSO4- 8.867e-09 8.175e-09 -8.052 -8.087 -0.035 14.34
|
||||
FeSO4 6.907e-09 6.917e-09 -8.161 -8.160 0.001 39.09
|
||||
HSO4- 2.151e-10 1.978e-10 -9.667 -9.704 -0.036 38.92
|
||||
CaHSO4+ 2.152e-12 1.980e-12 -11.667 -11.703 -0.036 (0)
|
||||
FeHSO4+ 1.370e-15 1.260e-15 -14.863 -14.900 -0.036 (0)
|
||||
SO4-2 1.352e-04 9.734e-05 -3.869 -4.012 -0.143 11.93
|
||||
CaSO4 1.277e-05 1.279e-05 -4.894 -4.893 0.001 6.78
|
||||
MgSO4 1.203e-05 1.206e-05 -4.920 -4.918 0.001 -4.13
|
||||
NaSO4- 1.104e-08 1.006e-08 -7.957 -7.997 -0.040 13.45
|
||||
KSO4- 9.288e-09 8.467e-09 -8.032 -8.072 -0.040 19.30
|
||||
Mg(SO4)2-2 7.112e-09 5.204e-09 -8.148 -8.284 -0.136 35.28
|
||||
FeSO4 6.846e-09 6.856e-09 -8.165 -8.164 0.001 39.09
|
||||
HSO4- 2.132e-10 1.961e-10 -9.671 -9.708 -0.036 38.92
|
||||
CaHSO4+ 2.133e-12 1.962e-12 -11.671 -11.707 -0.036 (0)
|
||||
FeHSO4+ 1.358e-15 1.249e-15 -14.867 -14.903 -0.036 (0)
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
|
||||
@ -209,18 +211,24 @@ S(6) 1.600e-04
|
||||
|
||||
Anhydrite -2.97 -7.09 -4.12 CaSO4
|
||||
Aragonite -0.20 -8.46 -8.25 CaCO3
|
||||
Calcite -0.05 -8.46 -8.41 CaCO3
|
||||
Arcanite -11.37 -13.48 -2.11 K2SO4
|
||||
Calcite -0.06 -8.46 -8.40 CaCO3
|
||||
CH2O -33.73 -33.73 0.00 CH2O
|
||||
CO2(g) -2.26 -3.53 -1.27 CO2
|
||||
Dolomite -0.27 -16.99 -16.72 CaMg(CO3)2
|
||||
Dolomite -0.11 -16.99 -16.88 CaMg(CO3)2
|
||||
Epsomite -5.33 -7.17 -1.83 MgSO4:7H2O
|
||||
Gypsum -2.49 -7.09 -4.60 CaSO4:2H2O
|
||||
H2(g) -15.13 -18.18 -3.05 H2
|
||||
H2O(g) -1.91 -0.00 1.91 H2O
|
||||
Halite -11.03 -9.47 1.56 NaCl
|
||||
Melanterite -7.87 -10.28 -2.41 FeSO4:7H2O
|
||||
Hexahydrite -5.58 -7.17 -1.59 MgSO4:6H2O
|
||||
Kieserite -5.85 -7.17 -1.32 MgSO4:H2O
|
||||
Melanterite -7.88 -10.29 -2.41 FeSO4:7H2O
|
||||
Mirabilite -11.51 -13.48 -1.97 Na2SO4:10H2O
|
||||
O2(g) -58.39 -61.15 -2.76 O2
|
||||
Siderite -0.86 -11.66 -10.79 FeCO3
|
||||
Sylvite -9.47 -9.47 0.00 KCl
|
||||
Thenardite -13.25 -13.48 -0.23 Na2SO4
|
||||
|
||||
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
||||
For ideal gases, phi = 1.
|
||||
@ -245,129 +253,138 @@ Initial solution 2. Mysse
|
||||
|
||||
pH = 6.610
|
||||
pe = 0.000
|
||||
Specific Conductance (µS/cm, 63°C) = 9945
|
||||
Density (g/cm³) = 0.98524
|
||||
Volume (L) = 1.01938
|
||||
Specific Conductance (µS/cm, 63°C) = 9924
|
||||
Density (g/cm³) = 0.98525
|
||||
Volume (L) = 1.01937
|
||||
Viscosity (mPa s) = 0.45381
|
||||
Activity of water = 0.999
|
||||
Ionic strength (mol/kgw) = 7.403e-02
|
||||
Ionic strength (mol/kgw) = 7.390e-02
|
||||
Mass of water (kg) = 1.000e+00
|
||||
Total alkalinity (eq/kg) = 5.262e-03
|
||||
Total alkalinity (eq/kg) = 5.286e-03
|
||||
Total CO2 (mol/kg) = 6.870e-03
|
||||
Temperature (°C) = 63.00
|
||||
Electrical balance (eq) = 3.239e-03
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 3.15
|
||||
Iterations = 8
|
||||
Temperature (°C) = 63.00
|
||||
Electrical balance (eq) = 3.215e-03
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 3.14
|
||||
Iterations = 8 (16 overall)
|
||||
Total H = 1.110179e+02
|
||||
Total O = 5.560449e+01
|
||||
Total O = 5.560451e+01
|
||||
|
||||
---------------------------------Redox couples---------------------------------
|
||||
|
||||
Redox couple pe Eh (volts)
|
||||
|
||||
S(-2)/S(6) -3.6474 -0.2433
|
||||
S(-2)/S(6) -3.6464 -0.2432
|
||||
|
||||
----------------------------Distribution of species----------------------------
|
||||
|
||||
Log Log Log mole V
|
||||
Species Molality Activity Molality Activity Gamma cm³/mol
|
||||
Species Molality Activity Molality Activity Gamma cm³/mol
|
||||
|
||||
OH- 5.981e-07 4.607e-07 -6.223 -6.337 -0.113 -3.62
|
||||
H+ 2.966e-07 2.455e-07 -6.528 -6.610 -0.082 0.00
|
||||
OH- 5.980e-07 4.607e-07 -6.223 -6.337 -0.113 -3.62
|
||||
H+ 2.965e-07 2.455e-07 -6.528 -6.610 -0.082 0.00
|
||||
H2O 5.551e+01 9.985e-01 1.744 -0.001 0.000 18.35
|
||||
C(4) 6.870e-03
|
||||
HCO3- 4.713e-03 3.742e-03 -2.327 -2.427 -0.100 26.22
|
||||
CO2 1.781e-03 1.812e-03 -2.749 -2.742 0.007 36.36
|
||||
CaHCO3+ 2.439e-04 1.952e-04 -3.613 -3.709 -0.097 10.66
|
||||
MgHCO3+ 6.553e-05 5.092e-05 -4.184 -4.293 -0.110 6.11
|
||||
NaHCO3 4.167e-05 4.238e-05 -4.380 -4.373 0.007 1.80
|
||||
CaCO3 1.631e-05 1.659e-05 -4.787 -4.780 0.007 -14.51
|
||||
NaCO3- 3.516e-06 2.759e-06 -5.454 -5.559 -0.105 0.55
|
||||
CO3-2 2.794e-06 1.110e-06 -5.554 -5.955 -0.401 -5.31
|
||||
MgCO3 1.617e-06 1.645e-06 -5.791 -5.784 0.007 -17.09
|
||||
(CO2)2 1.628e-07 1.656e-07 -6.788 -6.781 0.007 72.72
|
||||
FeHCO3+ 1.176e-08 9.224e-09 -7.930 -8.035 -0.105 (0)
|
||||
FeCO3 6.455e-10 6.566e-10 -9.190 -9.183 0.007 (0)
|
||||
HCO3- 4.610e-03 3.661e-03 -2.336 -2.436 -0.100 26.07
|
||||
CO2 1.753e-03 1.773e-03 -2.756 -2.751 0.005 36.36
|
||||
CaHCO3+ 2.375e-04 1.901e-04 -3.624 -3.721 -0.097 10.66
|
||||
NaHCO3 1.921e-04 1.997e-04 -3.717 -3.700 0.017 28.00
|
||||
MgHCO3+ 5.656e-05 4.396e-05 -4.247 -4.357 -0.109 6.11
|
||||
CaCO3 1.588e-05 1.616e-05 -4.799 -4.792 0.007 -14.51
|
||||
CO3-2 2.732e-06 1.086e-06 -5.563 -5.964 -0.401 -2.45
|
||||
MgCO3 1.396e-06 1.420e-06 -5.855 -5.848 0.007 -17.09
|
||||
(CO2)2 1.558e-07 1.585e-07 -6.807 -6.800 0.007 72.72
|
||||
FeHCO3+ 1.149e-08 9.014e-09 -7.940 -8.045 -0.105 (0)
|
||||
FeCO3 6.308e-10 6.417e-10 -9.200 -9.193 0.007 (0)
|
||||
Ca 1.128e-02
|
||||
Ca+2 7.602e-03 3.036e-03 -2.119 -2.518 -0.399 -17.56
|
||||
CaSO4 3.418e-03 3.476e-03 -2.466 -2.459 0.007 8.42
|
||||
CaHCO3+ 2.439e-04 1.952e-04 -3.613 -3.709 -0.097 10.66
|
||||
CaCO3 1.631e-05 1.659e-05 -4.787 -4.780 0.007 -14.51
|
||||
CaHSO4+ 1.417e-08 1.112e-08 -7.849 -7.954 -0.105 (0)
|
||||
CaOH+ 2.612e-09 2.050e-09 -8.583 -8.688 -0.105 (0)
|
||||
Ca+2 7.562e-03 3.022e-03 -2.121 -2.520 -0.398 -17.56
|
||||
CaSO4 3.465e-03 3.524e-03 -2.460 -2.453 0.007 8.42
|
||||
CaHCO3+ 2.375e-04 1.901e-04 -3.624 -3.721 -0.097 10.66
|
||||
CaCO3 1.588e-05 1.616e-05 -4.799 -4.792 0.007 -14.51
|
||||
CaHSO4+ 1.436e-08 1.127e-08 -7.843 -7.948 -0.105 (0)
|
||||
CaOH+ 2.600e-09 2.040e-09 -8.585 -8.690 -0.105 (0)
|
||||
Cl 1.785e-02
|
||||
Cl- 1.785e-02 1.382e-02 -1.748 -1.859 -0.111 18.29
|
||||
FeCl+ 5.994e-10 4.703e-10 -9.222 -9.328 -0.105 (0)
|
||||
HCl 8.590e-10 9.235e-10 -9.066 -9.035 0.031 (0)
|
||||
FeCl+ 5.987e-10 4.698e-10 -9.223 -9.328 -0.105 (0)
|
||||
Fe(2) 4.000e-07
|
||||
Fe(HS)2 2.820e-07 2.869e-07 -6.550 -6.542 0.007 (0)
|
||||
Fe+2 6.004e-08 2.465e-08 -7.222 -7.608 -0.387 -19.93
|
||||
FeSO4 3.991e-08 4.059e-08 -7.399 -7.392 0.007 -6.81
|
||||
FeHCO3+ 1.176e-08 9.224e-09 -7.930 -8.035 -0.105 (0)
|
||||
Fe(HS)3- 4.549e-09 3.569e-09 -8.342 -8.447 -0.105 (0)
|
||||
FeCO3 6.455e-10 6.566e-10 -9.190 -9.183 0.007 (0)
|
||||
FeCl+ 5.994e-10 4.703e-10 -9.222 -9.328 -0.105 (0)
|
||||
FeOH+ 4.985e-10 3.935e-10 -9.302 -9.405 -0.103 (0)
|
||||
Fe(OH)2 2.512e-13 2.555e-13 -12.600 -12.593 0.007 (0)
|
||||
FeHSO4+ 1.150e-13 9.027e-14 -12.939 -13.044 -0.105 (0)
|
||||
Fe(OH)3- 6.811e-17 5.377e-17 -16.167 -16.269 -0.103 (0)
|
||||
H(0) 1.182e-09
|
||||
H2 5.912e-10 6.014e-10 -9.228 -9.221 0.007 28.58
|
||||
Fe(HS)2 2.817e-07 2.865e-07 -6.550 -6.543 0.007 (0)
|
||||
Fe+2 5.993e-08 2.462e-08 -7.222 -7.609 -0.386 -19.94
|
||||
FeSO4 4.060e-08 4.130e-08 -7.391 -7.384 0.007 -6.81
|
||||
FeHCO3+ 1.149e-08 9.014e-09 -7.940 -8.045 -0.105 (0)
|
||||
Fe(HS)3- 4.544e-09 3.566e-09 -8.343 -8.448 -0.105 (0)
|
||||
FeCO3 6.308e-10 6.417e-10 -9.200 -9.193 0.007 (0)
|
||||
FeCl+ 5.987e-10 4.698e-10 -9.223 -9.328 -0.105 (0)
|
||||
FeOH+ 4.978e-10 3.930e-10 -9.303 -9.406 -0.103 (0)
|
||||
Fe(OH)2 2.509e-13 2.552e-13 -12.601 -12.593 0.007 (0)
|
||||
FeHSO4+ 1.170e-13 9.183e-14 -12.932 -13.037 -0.105 (0)
|
||||
Fe(OH)3- 6.802e-17 5.370e-17 -16.167 -16.270 -0.103 (0)
|
||||
H(0) 1.177e-09
|
||||
H2 5.885e-10 5.986e-10 -9.230 -9.223 0.007 28.58
|
||||
K 2.540e-03
|
||||
K+ 2.393e-03 1.848e-03 -2.621 -2.733 -0.112 10.02
|
||||
KSO4- 1.472e-04 1.169e-04 -3.832 -3.932 -0.100 34.54
|
||||
K+ 2.503e-03 1.934e-03 -2.601 -2.714 -0.112 10.02
|
||||
KSO4- 3.662e-05 2.600e-05 -4.436 -4.585 -0.149 24.41
|
||||
Mg 4.540e-03
|
||||
MgSO4 2.378e-03 2.419e-03 -2.624 -2.616 0.007 6.77
|
||||
Mg+2 2.095e-03 8.661e-04 -2.679 -3.062 -0.384 -22.47
|
||||
MgHCO3+ 6.553e-05 5.092e-05 -4.184 -4.293 -0.110 6.11
|
||||
MgCO3 1.617e-06 1.645e-06 -5.791 -5.784 0.007 -17.09
|
||||
MgOH+ 3.331e-07 2.684e-07 -6.477 -6.571 -0.094 (0)
|
||||
MgSO4 2.578e-03 2.668e-03 -2.589 -2.574 0.015 2.94
|
||||
Mg+2 1.847e-03 7.643e-04 -2.733 -3.117 -0.383 -22.47
|
||||
MgHCO3+ 5.656e-05 4.396e-05 -4.247 -4.357 -0.109 6.11
|
||||
Mg(SO4)2-2 5.602e-05 2.438e-05 -4.252 -4.613 -0.361 50.17
|
||||
MgCO3 1.396e-06 1.420e-06 -5.855 -5.848 0.007 -17.09
|
||||
MgOH+ 2.939e-07 2.368e-07 -6.532 -6.626 -0.094 (0)
|
||||
Na 3.189e-02
|
||||
Na+ 3.089e-02 2.437e-02 -1.510 -1.613 -0.103 0.10
|
||||
NaSO4- 9.526e-04 7.564e-04 -3.021 -3.121 -0.100 13.56
|
||||
NaHCO3 4.167e-05 4.238e-05 -4.380 -4.373 0.007 1.80
|
||||
NaCO3- 3.516e-06 2.759e-06 -5.454 -5.559 -0.105 0.55
|
||||
NaOH 1.104e-18 1.123e-18 -17.957 -17.950 0.007 (0)
|
||||
Na+ 3.123e-02 2.464e-02 -1.505 -1.608 -0.103 0.10
|
||||
NaSO4- 4.703e-04 3.335e-04 -3.328 -3.477 -0.149 16.08
|
||||
NaHCO3 1.921e-04 1.997e-04 -3.717 -3.700 0.017 28.00
|
||||
NaOH 1.116e-18 1.135e-18 -17.952 -17.945 0.007 (0)
|
||||
O(0) 0.000e+00
|
||||
O2 0.000e+00 0.000e+00 -63.070 -63.062 0.007 32.51
|
||||
O2 0.000e+00 0.000e+00 -63.066 -63.058 0.007 32.51
|
||||
S(-2) 2.600e-04
|
||||
HS- 1.483e-04 1.143e-04 -3.829 -3.942 -0.113 21.39
|
||||
H2S 1.111e-04 1.130e-04 -3.954 -3.947 0.007 37.26
|
||||
Fe(HS)2 2.820e-07 2.869e-07 -6.550 -6.542 0.007 (0)
|
||||
Fe(HS)3- 4.549e-09 3.569e-09 -8.342 -8.447 -0.105 (0)
|
||||
S-2 1.457e-09 5.656e-10 -8.837 -9.247 -0.411 (0)
|
||||
H2S 1.111e-04 1.130e-04 -3.954 -3.947 0.007 42.59
|
||||
Fe(HS)2 2.817e-07 2.865e-07 -6.550 -6.543 0.007 (0)
|
||||
Fe(HS)3- 4.544e-09 3.566e-09 -8.343 -8.448 -0.105 (0)
|
||||
S-2 1.456e-09 5.657e-10 -8.837 -9.247 -0.411 (0)
|
||||
(H2S)2 1.345e-09 1.368e-09 -8.871 -8.864 0.007 27.88
|
||||
S(6) 1.986e-02
|
||||
SO4-2 1.296e-02 5.000e-03 -1.887 -2.301 -0.414 17.22
|
||||
CaSO4 3.418e-03 3.476e-03 -2.466 -2.459 0.007 8.42
|
||||
MgSO4 2.378e-03 2.419e-03 -2.624 -2.616 0.007 6.77
|
||||
NaSO4- 9.526e-04 7.564e-04 -3.021 -3.121 -0.100 13.56
|
||||
KSO4- 1.472e-04 1.169e-04 -3.832 -3.932 -0.100 34.54
|
||||
HSO4- 3.882e-07 3.046e-07 -6.411 -6.516 -0.105 41.70
|
||||
FeSO4 3.991e-08 4.059e-08 -7.399 -7.392 0.007 -6.81
|
||||
CaHSO4+ 1.417e-08 1.112e-08 -7.849 -7.954 -0.105 (0)
|
||||
FeHSO4+ 1.150e-13 9.027e-14 -12.939 -13.044 -0.105 (0)
|
||||
SO4-2 1.320e-02 5.093e-03 -1.880 -2.293 -0.414 16.79
|
||||
CaSO4 3.465e-03 3.524e-03 -2.460 -2.453 0.007 8.42
|
||||
MgSO4 2.578e-03 2.668e-03 -2.589 -2.574 0.015 2.94
|
||||
NaSO4- 4.703e-04 3.335e-04 -3.328 -3.477 -0.149 16.08
|
||||
Mg(SO4)2-2 5.602e-05 2.438e-05 -4.252 -4.613 -0.361 50.17
|
||||
KSO4- 3.662e-05 2.600e-05 -4.436 -4.585 -0.149 24.41
|
||||
HSO4- 3.953e-07 3.102e-07 -6.403 -6.508 -0.105 41.70
|
||||
FeSO4 4.060e-08 4.130e-08 -7.391 -7.384 0.007 -6.81
|
||||
CaHSO4+ 1.436e-08 1.127e-08 -7.843 -7.948 -0.105 (0)
|
||||
FeHSO4+ 1.170e-13 9.183e-14 -12.932 -13.037 -0.105 (0)
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
|
||||
Phase SI** log IAP log K(336 K, 1 atm)
|
||||
|
||||
Anhydrite -0.07 -4.82 -4.75 CaSO4
|
||||
Aragonite 0.20 -8.47 -8.67 CaCO3
|
||||
Calcite 0.32 -8.47 -8.79 CaCO3
|
||||
CH2O -14.59 -14.59 0.00 CH2O
|
||||
CO2(g) -0.94 -2.74 -1.80 CO2
|
||||
Dolomite 0.38 -17.49 -17.87 CaMg(CO3)2
|
||||
Anhydrite -0.07 -4.81 -4.75 CaSO4
|
||||
Aragonite 0.19 -8.48 -8.67 CaCO3
|
||||
Arcanite -6.17 -7.72 -1.55 K2SO4
|
||||
Calcite 0.44 -8.48 -8.92 CaCO3
|
||||
CH2O -14.60 -14.60 0.00 CH2O
|
||||
CO2(g) -0.95 -2.75 -1.80 CO2
|
||||
Dolomite 0.49 -17.56 -18.06 CaMg(CO3)2
|
||||
Epsomite -3.91 -5.41 -1.50 MgSO4:7H2O
|
||||
FeS(ppt) -1.03 -4.94 -3.92 FeS
|
||||
Gypsum -0.16 -4.82 -4.66 CaSO4:2H2O
|
||||
Gypsum -0.15 -4.81 -4.66 CaSO4:2H2O
|
||||
H2(g) -6.08 -9.22 -3.14 H2
|
||||
H2O(g) -0.65 -0.00 0.65 H2O
|
||||
H2S(g) -2.62 -10.55 -7.94 H2S
|
||||
Halite -5.07 -3.47 1.60 NaCl
|
||||
H2S(g) -2.63 -10.55 -7.92 H2S
|
||||
Halite -5.06 -3.47 1.60 NaCl
|
||||
Hexahydrite -3.90 -5.41 -1.51 MgSO4:6H2O
|
||||
Kieserite -4.09 -5.41 -1.32 MgSO4:H2O
|
||||
Mackinawite -0.29 -4.94 -4.65 FeS
|
||||
Melanterite -8.06 -9.91 -1.85 FeSO4:7H2O
|
||||
Melanterite -8.05 -9.91 -1.85 FeSO4:7H2O
|
||||
Mirabilite -5.46 -5.52 -0.06 Na2SO4:10H2O
|
||||
O2(g) -59.99 -63.06 -3.07 O2
|
||||
Pyrite 7.98 -9.57 -17.54 FeS2
|
||||
Siderite -2.47 -13.56 -11.10 FeCO3
|
||||
Sulfur -2.12 1.98 4.09 S
|
||||
Sylvite -4.59 -4.59 0.00 KCl
|
||||
Siderite -2.48 -13.57 -11.10 FeCO3
|
||||
Sulfur -2.11 1.98 4.09 S
|
||||
Sylvite -4.57 -4.57 0.00 KCl
|
||||
Thenardite -5.02 -5.51 -0.49 Na2SO4
|
||||
|
||||
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
||||
For ideal gases, phi = 1.
|
||||
@ -382,7 +399,7 @@ Solution 1: Recharge number 3
|
||||
|
||||
Input Delta Input+Delta
|
||||
pH 7.550e+00 + 0.000e+00 = 7.550e+00
|
||||
Alkalinity 4.016e-03 + 1.061e-04 = 4.122e-03
|
||||
Alkalinity 4.016e-03 + 1.063e-04 = 4.122e-03
|
||||
C(-4) 0.000e+00 + 0.000e+00 = 0.000e+00
|
||||
C(4) 4.300e-03 + 0.000e+00 = 4.300e-03
|
||||
Ca 1.200e-03 + 0.000e+00 = 1.200e-03
|
||||
@ -406,17 +423,17 @@ Solution 2: Mysse
|
||||
|
||||
Input Delta Input+Delta
|
||||
pH 6.610e+00 + 0.000e+00 = 6.610e+00
|
||||
Alkalinity 5.262e-03 + 0.000e+00 = 5.262e-03
|
||||
Alkalinity 5.286e-03 + 0.000e+00 = 5.286e-03
|
||||
C(-4) 0.000e+00 + 0.000e+00 = 0.000e+00
|
||||
C(4) 6.870e-03 + 0.000e+00 = 6.870e-03
|
||||
Ca 1.128e-02 + 0.000e+00 = 1.128e-02
|
||||
Cl 1.785e-02 + 0.000e+00 = 1.785e-02
|
||||
Fe(2) 4.000e-07 + 0.000e+00 = 4.000e-07
|
||||
Fe(3) 0.000e+00 + 0.000e+00 = 0.000e+00
|
||||
H(0) 1.182e-09 + 0.000e+00 = 1.182e-09
|
||||
H(0) 1.177e-09 + 0.000e+00 = 1.177e-09
|
||||
K 2.540e-03 + 0.000e+00 = 2.540e-03
|
||||
Mg 4.540e-03 + 0.000e+00 = 4.540e-03
|
||||
Na 3.189e-02 + -1.253e-03 = 3.064e-02
|
||||
Na 3.189e-02 + -1.229e-03 = 3.066e-02
|
||||
O(0) 0.000e+00 + 0.000e+00 = 0.000e+00
|
||||
S(-2) 2.600e-04 + 0.000e+00 = 2.600e-04
|
||||
S(6) 1.986e-02 + 9.930e-04 = 2.085e-02
|
||||
@ -429,33 +446,33 @@ Solution 2: Mysse
|
||||
Isotopic composition of phases:
|
||||
13C Dolomite 3 + 0 = 3
|
||||
13C Calcite -1.5 + 0 = -1.5
|
||||
34S Anhydrite 13.5 + -0.735333 = 12.7647
|
||||
13C CH2O -25 + 4.07955 = -20.9205
|
||||
34S Anhydrite 13.5 + -0.715702 = 12.7843
|
||||
13C CH2O -25 + 3.93546 = -21.0645
|
||||
34S Pyrite -22 + 2 = -20
|
||||
|
||||
Solution fractions: Minimum Maximum
|
||||
Solution 1 1.000e+00 9.999e-01 1.000e+00
|
||||
Solution 2 1.000e+00 1.000e+00 1.000e+00
|
||||
|
||||
Phase mole transfers: Minimum Maximum
|
||||
Dolomite 1.118e-02 1.022e-02 1.193e-02 CaMg(CO3)2
|
||||
Calcite -2.404e-02 -2.597e-02 -2.115e-02 CaCO3
|
||||
Anhydrite 2.294e-02 2.040e-02 2.380e-02 CaSO4
|
||||
CH2O 4.248e-03 2.509e-03 5.833e-03 CH2O
|
||||
Goethite 9.936e-04 5.218e-04 1.424e-03 FeOOH
|
||||
Pyrite -9.942e-04 -1.424e-03 -5.235e-04 FeS2
|
||||
MgX2 -7.653e-03 -8.578e-03 -6.972e-03 MgX2
|
||||
NaX 1.531e-02 1.394e-02 1.716e-02 NaX
|
||||
Halite 1.531e-02 1.429e-02 1.633e-02 NaCl
|
||||
Sylvite 2.520e-03 2.392e-03 2.648e-03 KCl
|
||||
Phase mole transfers: Minimum Maximum Formula (Approximate SI in solution 1, 2 at 336 K, 1 atm)
|
||||
Dolomite 1.120e-02 1.022e-02 1.194e-02 CaMg(CO3)2 ( 1.06, 0.49)
|
||||
Calcite -2.404e-02 -2.597e-02 -2.113e-02 CaCO3 ( 0.46, 0.44)
|
||||
Anhydrite 2.293e-02 2.037e-02 2.378e-02 CaSO4 ( -2.35, -0.07)
|
||||
CH2O 4.222e-03 2.482e-03 5.808e-03 CH2O ( , )
|
||||
Goethite 9.867e-04 5.146e-04 1.418e-03 FeOOH ( , )
|
||||
Pyrite -9.873e-04 -1.417e-03 -5.163e-04 FeS2 ( , )
|
||||
MgX2 -7.665e-03 -8.591e-03 -6.972e-03 MgX2 ( , )
|
||||
NaX 1.533e-02 1.394e-02 1.718e-02 NaX ( , )
|
||||
Halite 1.531e-02 1.429e-02 1.633e-02 NaCl (-11.07, -5.06)
|
||||
Sylvite 2.520e-03 2.392e-03 2.648e-03 KCl ( -9.47, -4.57)
|
||||
|
||||
Redox mole transfers:
|
||||
Fe(3) 9.936e-04
|
||||
H(0) -1.182e-09
|
||||
S(-2) -2.248e-03
|
||||
Fe(3) 9.867e-04
|
||||
H(0) -1.177e-09
|
||||
S(-2) -2.235e-03
|
||||
|
||||
Sum of residuals (epsilons in documentation): 2.327e+00
|
||||
Sum of delta/uncertainty limit: 4.498e+00
|
||||
Sum of residuals (epsilons in documentation): 2.313e+00
|
||||
Sum of delta/uncertainty limit: 4.445e+00
|
||||
Maximum fractional error in element concentration: 5.000e-02
|
||||
|
||||
Model contains minimum number of phases.
|
||||
@ -466,7 +483,7 @@ Solution 1: Recharge number 3
|
||||
|
||||
Input Delta Input+Delta
|
||||
pH 7.550e+00 + 0.000e+00 = 7.550e+00
|
||||
Alkalinity 4.016e-03 + 1.061e-04 = 4.122e-03
|
||||
Alkalinity 4.016e-03 + 1.063e-04 = 4.122e-03
|
||||
C(-4) 0.000e+00 + 0.000e+00 = 0.000e+00
|
||||
C(4) 4.300e-03 + 0.000e+00 = 4.300e-03
|
||||
Ca 1.200e-03 + 0.000e+00 = 1.200e-03
|
||||
@ -490,17 +507,17 @@ Solution 2: Mysse
|
||||
|
||||
Input Delta Input+Delta
|
||||
pH 6.610e+00 + 0.000e+00 = 6.610e+00
|
||||
Alkalinity 5.262e-03 + 0.000e+00 = 5.262e-03
|
||||
Alkalinity 5.286e-03 + 0.000e+00 = 5.286e-03
|
||||
C(-4) 0.000e+00 + 0.000e+00 = 0.000e+00
|
||||
C(4) 6.870e-03 + -3.435e-04 = 6.527e-03
|
||||
Ca 1.128e-02 + -1.232e-04 = 1.116e-02
|
||||
C(4) 6.870e-03 + -3.426e-04 = 6.527e-03
|
||||
Ca 1.128e-02 + 0.000e+00 = 1.128e-02
|
||||
Cl 1.785e-02 + 0.000e+00 = 1.785e-02
|
||||
Fe(2) 4.000e-07 + 0.000e+00 = 4.000e-07
|
||||
Fe(3) 0.000e+00 + 0.000e+00 = 0.000e+00
|
||||
H(0) 1.182e-09 + 0.000e+00 = 1.182e-09
|
||||
H(0) 1.177e-09 + 0.000e+00 = 1.177e-09
|
||||
K 2.540e-03 + 0.000e+00 = 2.540e-03
|
||||
Mg 4.540e-03 + 0.000e+00 = 4.540e-03
|
||||
Na 3.189e-02 + -1.007e-03 = 3.088e-02
|
||||
Na 3.189e-02 + -1.229e-03 = 3.066e-02
|
||||
O(0) 0.000e+00 + 0.000e+00 = 0.000e+00
|
||||
S(-2) 2.600e-04 + 0.000e+00 = 2.600e-04
|
||||
S(6) 1.986e-02 + 9.930e-04 = 2.085e-02
|
||||
@ -513,7 +530,7 @@ Solution 2: Mysse
|
||||
Isotopic composition of phases:
|
||||
13C Dolomite 3 + 2 = 5
|
||||
13C Calcite -1.5 + -1 = -2.5
|
||||
34S Anhydrite 13.5 + -0.164871 = 13.3351
|
||||
34S Anhydrite 13.5 + -0.146069 = 13.3539
|
||||
13C CH2O -25 + 5 = -20
|
||||
34S Pyrite -22 + 2 = -20
|
||||
|
||||
@ -521,25 +538,25 @@ Solution fractions: Minimum Maximum
|
||||
Solution 1 1.000e+00 1.000e+00 1.000e+00
|
||||
Solution 2 1.000e+00 1.000e+00 1.000e+00
|
||||
|
||||
Phase mole transfers: Minimum Maximum
|
||||
Dolomite 5.474e-03 4.995e-03 5.839e-03 CaMg(CO3)2
|
||||
Calcite -1.223e-02 -1.337e-02 -1.069e-02 CaCO3
|
||||
Anhydrite 2.255e-02 2.040e-02 2.298e-02 CaSO4
|
||||
CH2O 3.512e-03 2.509e-03 4.299e-03 CH2O
|
||||
Goethite 7.973e-04 5.218e-04 1.015e-03 FeOOH
|
||||
Pyrite -7.979e-04 -1.015e-03 -5.235e-04 FeS2
|
||||
Ca.75Mg.25X2 -7.777e-03 -8.578e-03 -6.972e-03 Ca.75Mg.25X2
|
||||
NaX 1.555e-02 1.394e-02 1.716e-02 NaX
|
||||
Halite 1.531e-02 1.429e-02 1.633e-02 NaCl
|
||||
Sylvite 2.520e-03 2.392e-03 2.648e-03 KCl
|
||||
Phase mole transfers: Minimum Maximum Formula (Approximate SI in solution 1, 2 at 336 K, 1 atm)
|
||||
Dolomite 5.446e-03 4.995e-03 5.842e-03 CaMg(CO3)2 ( 1.06, 0.49)
|
||||
Calcite -1.215e-02 -1.337e-02 -1.066e-02 CaCO3 ( 0.46, 0.44)
|
||||
Anhydrite 2.254e-02 2.037e-02 2.298e-02 CaSO4 ( -2.35, -0.07)
|
||||
CH2O 3.488e-03 2.482e-03 4.301e-03 CH2O ( , )
|
||||
Goethite 7.909e-04 5.146e-04 1.016e-03 FeOOH ( , )
|
||||
Pyrite -7.915e-04 -1.015e-03 -5.163e-04 FeS2 ( , )
|
||||
Ca.75Mg.25X2 -7.665e-03 -8.591e-03 -6.972e-03 Ca.75Mg.25X2 ( , )
|
||||
NaX 1.533e-02 1.394e-02 1.718e-02 NaX ( , )
|
||||
Halite 1.531e-02 1.429e-02 1.633e-02 NaCl (-11.07, -5.06)
|
||||
Sylvite 2.520e-03 2.392e-03 2.648e-03 KCl ( -9.47, -4.57)
|
||||
|
||||
Redox mole transfers:
|
||||
Fe(3) 7.973e-04
|
||||
H(0) -1.182e-09
|
||||
S(-2) -1.856e-03
|
||||
Fe(3) 7.909e-04
|
||||
H(0) -1.177e-09
|
||||
S(-2) -1.843e-03
|
||||
|
||||
Sum of residuals (epsilons in documentation): 3.402e+00
|
||||
Sum of delta/uncertainty limit: 7.461e+00
|
||||
Sum of residuals (epsilons in documentation): 3.321e+00
|
||||
Sum of delta/uncertainty limit: 7.370e+00
|
||||
Maximum fractional error in element concentration: 5.000e-02
|
||||
|
||||
Model contains minimum number of phases.
|
||||
@ -560,7 +577,3 @@ End of simulation.
|
||||
Reading input data for simulation 2.
|
||||
------------------------------------
|
||||
|
||||
-------------------------------
|
||||
End of Run after 0.038 Seconds.
|
||||
-------------------------------
|
||||
|
||||
|
||||
@ -68,7 +68,3 @@ Reading input data for simulation 1.
|
||||
-end
|
||||
PRINT
|
||||
reset false
|
||||
-------------------------------
|
||||
End of Run after 0.016 Seconds.
|
||||
-------------------------------
|
||||
|
||||
|
||||
@ -22,7 +22,3 @@ Reading input data for simulation 1.
|
||||
TITLE Example 19B.--Cd sorption on X, Hfo and OC in loamy soil
|
||||
PRINT
|
||||
reset false
|
||||
-------------------------------
|
||||
End of Run after 0.049 Seconds.
|
||||
-------------------------------
|
||||
|
||||
|
||||
File diff suppressed because it is too large
Load Diff
@ -2,52 +2,52 @@
|
||||
1 i_soln 1 -99 -99 -99 7 4 25.000 -999.9990 -999.9990
|
||||
1 react 1 -99 0 1 7.06605 10.7446 25.000 -0.3045 0.0000
|
||||
1 react 1 -99 0 2 7.0524 10.6757 26.000 -0.2935 0.0000
|
||||
1 react 1 -99 0 3 7.03885 10.6076 27.000 -0.2825 0.0000
|
||||
1 react 1 -99 0 3 7.03885 10.6068 27.000 -0.2825 0.0000
|
||||
1 react 1 -99 0 4 7.0254 10.5389 28.000 -0.2716 0.0000
|
||||
1 react 1 -99 0 5 7.01206 10.472 29.000 -0.2608 0.0000
|
||||
1 react 1 -99 0 6 6.99884 10.4047 30.000 -0.2500 0.0000
|
||||
1 react 1 -99 0 6 6.99884 10.4042 30.000 -0.2500 0.0000
|
||||
1 react 1 -99 0 7 6.98574 10.3381 31.000 -0.2392 0.0000
|
||||
1 react 1 -99 0 8 6.97276 10.2711 32.000 -0.2285 0.0000
|
||||
1 react 1 -99 0 9 6.95991 10.2057 33.000 -0.2179 0.0000
|
||||
1 react 1 -99 0 10 6.94718 10.1398 34.000 -0.2073 0.0000
|
||||
1 react 1 -99 0 11 6.93459 10.0744 35.000 -0.1967 0.0000
|
||||
1 react 1 -99 0 12 6.92213 10.0095 36.000 -0.1862 0.0000
|
||||
1 react 1 -99 0 12 6.92213 10.0096 36.000 -0.1862 0.0000
|
||||
1 react 1 -99 0 13 6.90981 -1.77748 37.000 -0.1757 0.0000
|
||||
1 react 1 -99 0 14 6.89762 9.88087 38.000 -0.1653 0.0000
|
||||
1 react 1 -99 0 15 6.88557 9.8475 39.000 -0.1549 0.0000
|
||||
1 react 1 -99 0 16 6.87366 9.75454 40.000 -0.1445 0.0000
|
||||
1 react 1 -99 0 17 6.86189 9.6907 41.000 -0.1342 0.0000
|
||||
1 react 1 -99 0 18 6.85026 9.62805 42.000 -0.1239 0.0000
|
||||
1 react 1 -99 0 18 6.85026 9.62849 42.000 -0.1239 0.0000
|
||||
1 react 1 -99 0 19 6.83878 9.56563 43.000 -0.1137 0.0000
|
||||
1 react 1 -99 0 20 6.82743 9.50339 44.000 -0.1035 0.0000
|
||||
1 react 1 -99 0 21 6.81623 9.44156 45.000 -0.0934 0.0000
|
||||
1 react 1 -99 0 22 6.80517 9.38019 46.000 -0.0833 0.0000
|
||||
1 react 1 -99 0 23 6.79425 9.31898 47.000 -0.0732 0.0000
|
||||
1 react 1 -99 0 24 6.78347 9.25713 48.000 -0.0632 0.0000
|
||||
1 react 1 -99 0 21 6.81623 9.4423 45.000 -0.0934 0.0000
|
||||
1 react 1 -99 0 22 6.80517 9.38059 46.000 -0.0833 0.0000
|
||||
1 react 1 -99 0 23 6.79425 9.31892 47.000 -0.0732 0.0000
|
||||
1 react 1 -99 0 24 6.78347 9.28758 48.000 -0.0632 0.0000
|
||||
1 react 1 -99 0 25 6.77284 9.19657 49.000 -0.0532 0.0000
|
||||
1 react 1 -99 0 26 6.76235 -1.65496 50.000 -0.0432 0.0000
|
||||
1 react 1 -99 0 26 6.76235 -1.65497 50.000 -0.0432 0.0000
|
||||
1 react 1 -99 0 27 6.752 9.07753 51.000 -0.0333 0.0000
|
||||
1 react 1 -99 0 28 6.7418 9.04685 52.000 -0.0234 0.0000
|
||||
1 react 1 -99 0 29 6.73173 8.9571 53.000 -0.0136 0.0000
|
||||
1 react 1 -99 0 30 6.72181 -1.62168 54.000 -0.0038 0.0000
|
||||
1 react 1 -99 0 29 6.73173 8.91536 53.000 -0.0136 0.0000
|
||||
1 react 1 -99 0 30 6.72181 -1.62166 54.000 -0.0038 0.0000
|
||||
1 react 1 -99 0 31 6.71125 8.83248 55.000 0.0000 -0.0060
|
||||
1 react 1 -99 0 32 6.70039 8.7747 56.000 0.0000 -0.0157
|
||||
1 react 1 -99 0 33 6.68965 8.71845 57.000 0.0000 -0.0254
|
||||
1 react 1 -99 0 34 6.67903 8.69145 58.000 0.0000 -0.0350
|
||||
1 react 1 -99 0 35 6.66853 8.63516 59.000 0.0000 -0.0446
|
||||
1 react 1 -99 0 34 6.67903 8.66099 58.000 0.0000 -0.0350
|
||||
1 react 1 -99 0 35 6.66853 8.60479 59.000 0.0000 -0.0446
|
||||
1 react 1 -99 0 36 6.65815 8.54826 60.000 0.0000 -0.0542
|
||||
1 react 1 -99 0 37 6.64789 8.4935 61.000 0.0000 -0.0638
|
||||
1 react 1 -99 0 38 6.63774 8.43727 62.000 0.0000 -0.0733
|
||||
1 react 1 -99 0 38 6.63774 8.43683 62.000 0.0000 -0.0733
|
||||
1 react 1 -99 0 39 6.62771 8.38286 63.000 0.0000 -0.0828
|
||||
1 react 1 -99 0 40 6.6178 8.32762 64.000 0.0000 -0.0922
|
||||
1 react 1 -99 0 41 6.608 8.2729 65.000 0.0000 -0.1016
|
||||
1 react 1 -99 0 42 6.59833 8.21794 66.000 0.0000 -0.1110
|
||||
1 react 1 -99 0 41 6.608 8.27289 65.000 0.0000 -0.1016
|
||||
1 react 1 -99 0 42 6.59833 8.21823 66.000 0.0000 -0.1110
|
||||
1 react 1 -99 0 43 6.58876 8.16425 67.000 0.0000 -0.1204
|
||||
1 react 1 -99 0 44 6.57931 8.10992 68.000 0.0000 -0.1297
|
||||
1 react 1 -99 0 45 6.56998 8.05651 69.000 0.0000 -0.1390
|
||||
1 react 1 -99 0 46 6.56075 8.00299 70.000 0.0000 -0.1483
|
||||
1 react 1 -99 0 47 6.55165 7.94963 71.000 0.0000 -0.1575
|
||||
1 react 1 -99 0 48 6.54265 7.89527 72.000 0.0000 -0.1667
|
||||
1 react 1 -99 0 49 6.53376 7.84251 73.000 0.0000 -0.1758
|
||||
1 react 1 -99 0 48 6.54265 7.92563 72.000 0.0000 -0.1667
|
||||
1 react 1 -99 0 49 6.53376 7.87284 73.000 0.0000 -0.1758
|
||||
1 react 1 -99 0 50 6.52499 7.79021 74.000 0.0000 -0.1850
|
||||
1 react 1 -99 0 51 6.51633 7.73768 75.000 0.0000 -0.1941
|
||||
|
||||
@ -83,7 +83,7 @@ Initial solution 1.
|
||||
Mass of water (kg) = 1.000e+00
|
||||
Total alkalinity (eq/kg) = 1.998e-03
|
||||
Total CO2 (mol/kg) = 2.000e-03
|
||||
Temperature (°C) = 25.00
|
||||
Temperature (°C) = 25.00
|
||||
Electrical balance (eq) = 1.667e-13
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
||||
Iterations = 8
|
||||
@ -93,7 +93,7 @@ Initial solution 1.
|
||||
----------------------------Distribution of species----------------------------
|
||||
|
||||
Log Log Log mole V
|
||||
Species Molality Activity Molality Activity Gamma cm³/mol
|
||||
Species Molality Activity Molality Activity Gamma cm³/mol
|
||||
|
||||
OH- 1.673e-06 1.586e-06 -5.776 -5.800 -0.023 (0)
|
||||
H3O+ 6.628e-09 6.310e-09 -8.179 -8.200 -0.021 0.00
|
||||
@ -217,8 +217,8 @@ Calcite 2.54e-07
|
||||
|
||||
Isotope Ratio Ratio Input Units
|
||||
|
||||
R(D) 1.55760e-04 2.2204e-13 permil
|
||||
R(18O) 2.00520e-03 -3.9446e-07 permil
|
||||
R(D) 1.55760e-04 -1.3101e-11 permil
|
||||
R(18O) 2.00520e-03 -3.9447e-07 permil
|
||||
R(13C) 1.11802e-02 -0.00026756 permil
|
||||
R(D) H2O(l) 1.55760e-04 1.138e-05 permil
|
||||
R(18O) H2O(l) 2.00520e-03 -3.9132e-05 permil
|
||||
@ -249,15 +249,15 @@ Alpha D OH-/H2O(l) 0.23812 -1435 -1435
|
||||
Alpha 18O OH-/H2O(l) 0.96293 -37.777 -37.777
|
||||
Alpha D H3O+/H2O(l) 1.0417 40.82 40.82
|
||||
Alpha 18O H3O+/H2O(l) 1.0231 22.86 22.86
|
||||
Alpha D H2(aq)/H2O(l) 1 -3.3307e-12 0
|
||||
Alpha D H2(aq)/H2O(l) 1 5.7732e-12 0
|
||||
Alpha 18O CO2(aq)/H2O(l) 1.0421 41.223 41.223
|
||||
Alpha D HCO3-/H2O(l) 1 2.254e-09 0
|
||||
Alpha 18O HCO3-/H2O(l) 1 -2.1094e-12 0
|
||||
Alpha D HCO3-/H2O(l) 1 2.2555e-09 0
|
||||
Alpha 18O HCO3-/H2O(l) 1 -1.3323e-12 0
|
||||
Alpha 13C HCO3-/CO2(aq) 1.0087 8.6622 8.6622
|
||||
Alpha 18O CO3-2/H2O(l) 1 -1.5682e-09 0
|
||||
Alpha 18O CO3-2/H2O(l) 1 -1.5554e-09 0
|
||||
Alpha 13C CO3-2/CO2(aq) 1.0073 7.2261 7.2261
|
||||
Alpha D CH4(aq)/H2O(l) 1 -3.7478e-09 0
|
||||
Alpha 13C CH4(aq)/CO2(aq) 1 -6.2172e-12 0
|
||||
Alpha D CH4(aq)/H2O(l) 1 -3.7507e-09 0
|
||||
Alpha 13C CH4(aq)/CO2(aq) 1 -4.2188e-12 0
|
||||
Alpha 18O Calcite/H2O(l) 1.0288 28.383 28.383
|
||||
Alpha 13C Calcite/CO2(aq) 1.0107 10.641 10.641
|
||||
|
||||
@ -281,33 +281,33 @@ Alpha 13C Calcite/CO2(aq) 1.0107 10.641 10.641
|
||||
Mass of water (kg) = 9.968e-01
|
||||
Total alkalinity (eq/kg) = 2.004e-03
|
||||
Total CO2 (mol/kg) = 1.984e-03
|
||||
Temperature (°C) = 25.00
|
||||
Temperature (°C) = 25.00
|
||||
Electrical balance (eq) = 1.667e-13
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
||||
Iterations = 28
|
||||
Iterations = 64
|
||||
Total H = 1.109971e+02
|
||||
Total O = 5.540110e+01
|
||||
|
||||
----------------------------Distribution of species----------------------------
|
||||
|
||||
Log Log Log mole V
|
||||
Species Molality Activity Molality Activity Gamma cm³/mol
|
||||
Species Molality Activity Molality Activity Gamma cm³/mol
|
||||
|
||||
OH- 1.661e-06 1.575e-06 -5.780 -5.803 -0.023 (0)
|
||||
H3O+ 6.648e-09 6.328e-09 -8.177 -8.199 -0.021 0.00
|
||||
H2O 5.556e+01 9.977e-01 1.745 -0.001 0.000 18.07
|
||||
C(-4) 2.764e-27
|
||||
CH4 2.763e-27 2.764e-27 -26.559 -26.558 0.000 (0)
|
||||
CH3D 1.721e-30 1.722e-30 -29.764 -29.764 0.000 (0)
|
||||
C(-4) 2.777e-27
|
||||
CH4 2.775e-27 2.777e-27 -26.557 -26.556 0.000 (0)
|
||||
CH3D 1.729e-30 1.730e-30 -29.762 -29.762 0.000 (0)
|
||||
C(4) 1.984e-03
|
||||
HCO3- 1.916e-03 1.817e-03 -2.718 -2.741 -0.023 (0)
|
||||
CO2 2.597e-05 2.598e-05 -4.586 -4.585 0.000 (0)
|
||||
CO3-2 1.661e-05 1.344e-05 -4.780 -4.872 -0.092 (0)
|
||||
CaHCO3+ 5.917e-06 5.618e-06 -5.228 -5.250 -0.023 (0)
|
||||
CaCO3 5.466e-06 5.469e-06 -5.262 -5.262 0.000 (0)
|
||||
HCO2[18O]- 3.842e-06 3.644e-06 -5.415 -5.438 -0.023 (0)
|
||||
HCO[18O]O- 3.842e-06 3.644e-06 -5.415 -5.438 -0.023 (0)
|
||||
HC[18O]O2- 3.842e-06 3.644e-06 -5.415 -5.438 -0.023 (0)
|
||||
HCO2[18O]- 3.842e-06 3.644e-06 -5.415 -5.438 -0.023 (0)
|
||||
NaHCO3 1.340e-06 1.341e-06 -5.873 -5.873 0.000 (0)
|
||||
NaCO3- 3.463e-07 3.284e-07 -6.461 -6.484 -0.023 (0)
|
||||
DCO3- 2.985e-07 2.831e-07 -6.525 -6.548 -0.023 (0)
|
||||
@ -315,14 +315,14 @@ C(4) 1.984e-03
|
||||
CO2[18O]-2 9.993e-08 8.086e-08 -7.000 -7.092 -0.092 (0)
|
||||
CaCO2[18O] 3.288e-08 3.290e-08 -7.483 -7.483 0.000 (0)
|
||||
CaHCO2[18O]+ 1.186e-08 1.126e-08 -7.926 -7.948 -0.023 (0)
|
||||
CaHC[18O]O2+ 1.186e-08 1.126e-08 -7.926 -7.948 -0.023 (0)
|
||||
CaHCO[18O]O+ 1.186e-08 1.126e-08 -7.926 -7.948 -0.023 (0)
|
||||
CaHC[18O]O2+ 1.186e-08 1.126e-08 -7.926 -7.948 -0.023 (0)
|
||||
HCO[18O]2- 7.705e-09 7.307e-09 -8.113 -8.136 -0.023 (0)
|
||||
HC[18O]2O- 7.705e-09 7.307e-09 -8.113 -8.136 -0.023 (0)
|
||||
HC[18O]O[18O]- 7.705e-09 7.307e-09 -8.113 -8.136 -0.023 (0)
|
||||
NaHC[18O]O2 2.687e-09 2.689e-09 -8.571 -8.570 0.000 (0)
|
||||
NaHCO2[18O] 2.687e-09 2.689e-09 -8.571 -8.570 0.000 (0)
|
||||
NaHCO[18O]O 2.687e-09 2.689e-09 -8.571 -8.570 0.000 (0)
|
||||
NaHC[18O]O2 2.687e-09 2.689e-09 -8.571 -8.570 0.000 (0)
|
||||
NaCO2[18O]- 2.083e-09 1.976e-09 -8.681 -8.704 -0.023 (0)
|
||||
Ca 3.098e-04
|
||||
Ca+2 2.982e-04 2.422e-04 -3.525 -3.616 -0.090 (0)
|
||||
@ -332,21 +332,21 @@ Ca 3.098e-04
|
||||
Ca[13C]O3 6.104e-08 6.107e-08 -7.214 -7.214 0.000 (0)
|
||||
CaCO2[18O] 3.288e-08 3.290e-08 -7.483 -7.483 0.000 (0)
|
||||
CaHCO2[18O]+ 1.186e-08 1.126e-08 -7.926 -7.948 -0.023 (0)
|
||||
CaHC[18O]O2+ 1.186e-08 1.126e-08 -7.926 -7.948 -0.023 (0)
|
||||
CaHCO[18O]O+ 1.186e-08 1.126e-08 -7.926 -7.948 -0.023 (0)
|
||||
CaHC[18O]O2+ 1.186e-08 1.126e-08 -7.926 -7.948 -0.023 (0)
|
||||
CaDCO3+ 9.216e-10 8.750e-10 -9.035 -9.058 -0.023 (0)
|
||||
Ca[13C]O2[18O] 3.672e-10 3.674e-10 -9.435 -9.435 0.000 (0)
|
||||
D(0) 5.649e-19
|
||||
HD 5.648e-19 5.651e-19 -18.248 -18.248 0.000 (0)
|
||||
D2 4.399e-23 4.401e-23 -22.357 -22.356 0.000 (0)
|
||||
D(0) 5.656e-19
|
||||
HD 5.655e-19 5.658e-19 -18.248 -18.247 0.000 (0)
|
||||
D2 4.404e-23 4.406e-23 -22.356 -22.356 0.000 (0)
|
||||
D(1) 1.734e-02
|
||||
HDO 1.731e-02 3.108e-04 -1.762 -3.507 -1.746 (0)
|
||||
HD[18O] 3.470e-05 6.233e-07 -4.460 -6.205 -1.746 (0)
|
||||
D2O 1.348e-06 2.421e-08 -5.870 -7.616 -1.746 (0)
|
||||
DCO3- 2.985e-07 2.831e-07 -6.525 -6.548 -0.023 (0)
|
||||
H(0) 3.627e-15
|
||||
H2 1.813e-15 1.814e-15 -14.742 -14.741 0.000 (0)
|
||||
HD 5.648e-19 5.651e-19 -18.248 -18.248 0.000 (0)
|
||||
H(0) 3.632e-15
|
||||
H2 1.815e-15 1.816e-15 -14.741 -14.741 0.000 (0)
|
||||
HD 5.655e-19 5.658e-19 -18.248 -18.247 0.000 (0)
|
||||
Na 1.385e-03
|
||||
Na+ 1.383e-03 1.312e-03 -2.859 -2.882 -0.023 (0)
|
||||
NaHCO3 1.340e-06 1.341e-06 -5.873 -5.873 0.000 (0)
|
||||
@ -358,11 +358,11 @@ Na 1.385e-03
|
||||
NaHC[18O]O2 2.687e-09 2.689e-09 -8.571 -8.570 0.000 (0)
|
||||
NaCO2[18O]- 2.083e-09 1.976e-09 -8.681 -8.704 -0.023 (0)
|
||||
O(0) 0.000e+00
|
||||
O2 0.000e+00 0.000e+00 -62.900 -62.899 0.000 (0)
|
||||
O[18O] 0.000e+00 0.000e+00 -65.296 -65.296 0.000 (0)
|
||||
[13C](-4) 3.064e-29
|
||||
[13C]H4 3.062e-29 3.064e-29 -28.514 -28.514 0.000 (0)
|
||||
[13C]H3D 1.908e-32 1.909e-32 -31.719 -31.719 0.000 (0)
|
||||
O2 0.000e+00 0.000e+00 -62.901 -62.900 0.000 (0)
|
||||
O[18O] 0.000e+00 0.000e+00 -65.297 -65.297 0.000 (0)
|
||||
[13C](-4) 3.079e-29
|
||||
[13C]H4 3.077e-29 3.078e-29 -28.512 -28.512 0.000 (0)
|
||||
[13C]H3D 1.917e-32 1.918e-32 -31.717 -31.717 0.000 (0)
|
||||
[13C](4) 2.218e-05
|
||||
H[13C]O3- 2.143e-05 2.032e-05 -4.669 -4.692 -0.023 (0)
|
||||
[13C]O2 2.878e-07 2.880e-07 -6.541 -6.541 0.000 (0)
|
||||
@ -370,20 +370,20 @@ O(0) 0.000e+00
|
||||
CaH[13C]O3+ 6.616e-08 6.281e-08 -7.179 -7.202 -0.023 (0)
|
||||
Ca[13C]O3 6.104e-08 6.107e-08 -7.214 -7.214 0.000 (0)
|
||||
H[13C]O2[18O]- 4.296e-08 4.075e-08 -7.367 -7.390 -0.023 (0)
|
||||
H[13C][18O]O2- 4.296e-08 4.075e-08 -7.367 -7.390 -0.023 (0)
|
||||
H[13C]O[18O]O- 4.296e-08 4.075e-08 -7.367 -7.390 -0.023 (0)
|
||||
H[13C][18O]O2- 4.296e-08 4.075e-08 -7.367 -7.390 -0.023 (0)
|
||||
NaH[13C]O3 1.499e-08 1.499e-08 -7.824 -7.824 0.000 (0)
|
||||
Na[13C]O3- 3.866e-09 3.667e-09 -8.413 -8.436 -0.023 (0)
|
||||
D[13C]O3- 3.337e-09 3.165e-09 -8.477 -8.500 -0.023 (0)
|
||||
[13C]O[18O] 1.203e-09 1.204e-09 -8.920 -8.920 0.000 (0)
|
||||
[13C]O2[18O]-2 1.116e-09 9.028e-10 -8.952 -9.044 -0.092 (0)
|
||||
Ca[13C]O2[18O] 3.672e-10 3.674e-10 -9.435 -9.435 0.000 (0)
|
||||
CaH[13C][18O]O2+ 1.327e-10 1.260e-10 -9.877 -9.900 -0.023 (0)
|
||||
CaH[13C]O[18O]O+ 1.327e-10 1.260e-10 -9.877 -9.900 -0.023 (0)
|
||||
CaH[13C]O2[18O]+ 1.327e-10 1.260e-10 -9.877 -9.900 -0.023 (0)
|
||||
CaH[13C]O[18O]O+ 1.327e-10 1.260e-10 -9.877 -9.900 -0.023 (0)
|
||||
CaH[13C][18O]O2+ 1.327e-10 1.260e-10 -9.877 -9.900 -0.023 (0)
|
||||
H[13C]O[18O]2- 8.615e-11 8.171e-11 -10.065 -10.088 -0.023 (0)
|
||||
H[13C][18O]2O- 8.615e-11 8.171e-11 -10.065 -10.088 -0.023 (0)
|
||||
H[13C][18O]O[18O]- 8.615e-11 8.171e-11 -10.065 -10.088 -0.023 (0)
|
||||
H[13C]O[18O]2- 8.615e-11 8.171e-11 -10.065 -10.088 -0.023 (0)
|
||||
NaH[13C]O2[18O] 3.005e-11 3.007e-11 -10.522 -10.522 0.000 (0)
|
||||
NaH[13C]O[18O]O 3.005e-11 3.007e-11 -10.522 -10.522 0.000 (0)
|
||||
NaH[13C][18O]O2 3.005e-11 3.007e-11 -10.522 -10.522 0.000 (0)
|
||||
@ -392,11 +392,11 @@ O(0) 0.000e+00
|
||||
H2[18O] 1.114e-01 2.001e-03 -0.953 -2.699 -1.746 (0)
|
||||
HD[18O] 3.470e-05 6.233e-07 -4.460 -6.205 -1.746 (0)
|
||||
HCO2[18O]- 3.842e-06 3.644e-06 -5.415 -5.438 -0.023 (0)
|
||||
HC[18O]O2- 3.842e-06 3.644e-06 -5.415 -5.438 -0.023 (0)
|
||||
HCO[18O]O- 3.842e-06 3.644e-06 -5.415 -5.438 -0.023 (0)
|
||||
HC[18O]O2- 3.842e-06 3.644e-06 -5.415 -5.438 -0.023 (0)
|
||||
[18O](0) 0.000e+00
|
||||
O[18O] 0.000e+00 0.000e+00 -65.296 -65.296 0.000 (0)
|
||||
[18O]2 0.000e+00 0.000e+00 -68.295 -68.295 0.000 (0)
|
||||
O[18O] 0.000e+00 0.000e+00 -65.297 -65.297 0.000 (0)
|
||||
[18O]2 0.000e+00 0.000e+00 -68.296 -68.296 0.000 (0)
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
|
||||
@ -407,10 +407,10 @@ O(0) 0.000e+00
|
||||
[13C]H2D2(g) -32.49 -36.13 -3.64 [13C]H2D2
|
||||
[13C]H3D(g) -28.86 -32.32 -3.46 [13C]H3D
|
||||
[13C]H4(g) -25.65 -28.51 -2.86 [13C]H4
|
||||
[13C]HD3(g) -36.47 -39.94 -3.46 [13C]HD3
|
||||
[13C]HD3(g) -36.47 -39.93 -3.46 [13C]HD3
|
||||
[13C]O2(g) -5.07 -6.54 -1.47 [13C]O2
|
||||
[13C]O[18O](g) -7.45 -9.24 -1.79 [13C]O[18O]
|
||||
[18O]2(g) -66.00 -68.29 -2.29 [18O]2
|
||||
[18O]2(g) -66.01 -68.30 -2.29 [18O]2
|
||||
C[18O]2(g) -8.48 -9.98 -1.50 C[18O]2
|
||||
Ca[13C][18O]3(s) -10.01 -1.86 8.16 Ca[13C][18O]3
|
||||
Ca[13C]O2[18O](s) -4.17 3.54 7.71 Ca[13C]O2[18O]
|
||||
@ -421,8 +421,8 @@ O(0) 0.000e+00
|
||||
CaCO[18O]2(s) -4.90 2.80 7.70 CaCO[18O]2
|
||||
Calcite -0.01 -8.49 -8.48 CaCO3
|
||||
CD4(g) -38.93 -41.79 -2.86 CD4
|
||||
CH2D2(g) -30.54 -34.17 -3.64 CH2D2
|
||||
CH3D(g) -26.90 -30.37 -3.46 CH3D
|
||||
CH2D2(g) -30.53 -34.17 -3.64 CH2D2
|
||||
CH3D(g) -26.90 -30.36 -3.46 CH3D
|
||||
CH4(g) -23.70 -26.56 -2.86 CH4
|
||||
CHD3(g) -34.52 -37.98 -3.46 CHD3
|
||||
CO2(g) -3.12 -4.59 -1.47 CO2
|
||||
@ -437,7 +437,7 @@ O(0) 0.000e+00
|
||||
HD[18O](g) -7.75 -6.51 1.25 HD[18O]
|
||||
HDO(g) -5.05 -3.81 1.24 HDO
|
||||
O2(g) -60.01 -62.90 -2.89 O2
|
||||
O[18O](g) -62.70 -65.60 -2.89 O[18O]
|
||||
O[18O](g) -62.71 -65.60 -2.89 O[18O]
|
||||
|
||||
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
||||
For ideal gases, phi = 1.
|
||||
@ -450,7 +450,3 @@ End of simulation.
|
||||
Reading input data for simulation 4.
|
||||
------------------------------------
|
||||
|
||||
-------------------------------
|
||||
End of Run after 0.089 Seconds.
|
||||
-------------------------------
|
||||
|
||||
|
||||
File diff suppressed because it is too large
Load Diff
@ -107,15 +107,16 @@ Initial solution 0. column with only cell 1, two boundary solutions 0 and 2.
|
||||
|
||||
pH = 7.000
|
||||
pe = 4.000
|
||||
Specific Conductance (µS/cm, 25°C) = 123
|
||||
Density (g/cm³) = 0.99708
|
||||
Specific Conductance (µS/cm, 25°C) = 123
|
||||
Density (g/cm³) = 0.99708
|
||||
Volume (L) = 1.00298
|
||||
Viscosity (mPa s) = 0.89026
|
||||
Activity of water = 1.000
|
||||
Ionic strength (mol/kgw) = 1.000e-03
|
||||
Mass of water (kg) = 1.000e+00
|
||||
Total alkalinity (eq/kg) = 1.451e-09
|
||||
Temperature (°C) = 25.00
|
||||
Electrical balance (eq) = -1.451e-09
|
||||
Total alkalinity (eq/kg) = 1.417e-09
|
||||
Temperature (°C) = 25.00
|
||||
Electrical balance (eq) = -1.417e-09
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
|
||||
Iterations = 3
|
||||
Total H = 1.110124e+02
|
||||
@ -124,13 +125,14 @@ Initial solution 0. column with only cell 1, two boundary solutions 0 and 2.
|
||||
----------------------------Distribution of species----------------------------
|
||||
|
||||
Log Log Log mole V
|
||||
Species Molality Activity Molality Activity Gamma cm³/mol
|
||||
Species Molality Activity Molality Activity Gamma cm³/mol
|
||||
|
||||
OH- 1.049e-07 1.012e-07 -6.979 -6.995 -0.016 -4.11
|
||||
H+ 1.035e-07 1.000e-07 -6.985 -7.000 -0.015 0.00
|
||||
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
|
||||
Cl 1.000e-03
|
||||
Cl- 1.000e-03 9.649e-04 -3.000 -3.016 -0.016 18.07
|
||||
HCl 3.321e-11 3.324e-11 -10.479 -10.478 0.000 (0)
|
||||
H(0) 1.416e-25
|
||||
H2 7.078e-26 7.079e-26 -25.150 -25.150 0.000 28.61
|
||||
Na 1.000e-03
|
||||
@ -196,7 +198,7 @@ Reading input data for simulation 2.
|
||||
120 por_clay = 0.159
|
||||
130 rho_b_eps = 2.7 * (1 - por_clay) / por_clay # clay bulk density / porosity / (kg/L)
|
||||
140 CEC = 0.09 * rho_b_eps # CEC / (eq/L porewater)
|
||||
150 A_por = 37e3 * rho_b_eps # pore surface area / (m²/L porewater)
|
||||
150 A_por = 37e3 * rho_b_eps # pore surface area / (m²/L porewater)
|
||||
160 DIM tracer$(4), exp_time(4), scale_y1$(4), scale_y2$(4), profile_y1$(4), profile_y2$(4)
|
||||
170 DATA 'Hto', 'Cl_tr', 'Na_tr', 'Cs'
|
||||
180 READ tracer$(1), tracer$(2), tracer$(3), tracer$(4)
|
||||
@ -210,7 +212,7 @@ Reading input data for simulation 2.
|
||||
290 READ profile_y1$(1), profile_y1$(2), profile_y1$(3), profile_y1$(4)
|
||||
300 DATA '0 1.2e-9', '0 2.5e-5', '0 6e-10', '0 auto'
|
||||
310 READ profile_y2$(1), profile_y2$(2), profile_y2$(3), profile_y2$(4)
|
||||
350 Dw = 2.5e-9 # default tracer diffusion coefficient / (m²/s)
|
||||
350 Dw = 2.5e-9 # default tracer diffusion coefficient / (m²/s)
|
||||
360 nfilt1 = 1 # number of cells in filter 1
|
||||
370 nfilt2 = 1 # number of cells in filter 2
|
||||
380 nclay = 11 # number of clay cells
|
||||
@ -431,15 +433,16 @@ WARNING: USER_PUNCH: Headings count does not match number of calls to PUNCH.
|
||||
|
||||
pH = 7.600
|
||||
pe = 13.120 Equilibrium with O2(g)
|
||||
Specific Conductance (µS/cm, 23°C) = 28919
|
||||
Density (g/cm³) = 1.01167
|
||||
Volume (L) = 0.20147
|
||||
Specific Conductance (µS/cm, 23°C) = 28957
|
||||
Density (g/cm³) = 1.01168
|
||||
Volume (L) = 0.20146
|
||||
Viscosity (mPa s) = 0.96825
|
||||
Activity of water = 0.990
|
||||
Ionic strength (mol/kgw) = 3.658e-01
|
||||
Ionic strength (mol/kgw) = 3.653e-01
|
||||
Mass of water (kg) = 2.000e-01
|
||||
Total carbon (mol/kg) = 4.787e-04
|
||||
Total CO2 (mol/kg) = 4.787e-04
|
||||
Temperature (°C) = 23.00
|
||||
Total carbon (mol/kg) = 4.811e-04
|
||||
Total CO2 (mol/kg) = 4.811e-04
|
||||
Temperature (°C) = 23.00
|
||||
Electrical balance (eq) = -1.312e-04
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.10
|
||||
Iterations = 6
|
||||
@ -449,87 +452,94 @@ WARNING: USER_PUNCH: Headings count does not match number of calls to PUNCH.
|
||||
----------------------------Distribution of species----------------------------
|
||||
|
||||
Log Log Log mole V
|
||||
Species Molality Activity Molality Activity Gamma cm³/mol
|
||||
Species Molality Activity Molality Activity Gamma cm³/mol
|
||||
|
||||
OH- 5.192e-07 3.419e-07 -6.285 -6.466 -0.181 -3.26
|
||||
OH- 5.191e-07 3.419e-07 -6.285 -6.466 -0.181 -3.26
|
||||
H+ 3.238e-08 2.512e-08 -7.490 -7.600 -0.110 0.00
|
||||
H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.06
|
||||
C(4) 4.787e-04
|
||||
HCO3- 3.775e-04 2.682e-04 -3.423 -3.571 -0.148 25.92
|
||||
CaHCO3+ 3.021e-05 2.187e-05 -4.520 -4.660 -0.140 9.84
|
||||
NaHCO3 2.416e-05 2.628e-05 -4.617 -4.580 0.037 1.80
|
||||
MgHCO3+ 2.132e-05 1.437e-05 -4.671 -4.843 -0.171 5.70
|
||||
CO2 1.444e-05 1.570e-05 -4.841 -4.804 0.037 34.33
|
||||
CaCO3 4.709e-06 5.122e-06 -5.327 -5.291 0.037 -14.61
|
||||
NaCO3- 1.904e-06 1.393e-06 -5.720 -5.856 -0.136 1.01
|
||||
MgCO3 1.887e-06 2.053e-06 -5.724 -5.688 0.037 -17.09
|
||||
CO3-2 1.885e-06 4.805e-07 -5.725 -6.318 -0.594 -3.10
|
||||
SrHCO3+ 6.907e-07 4.908e-07 -6.161 -6.309 -0.148 (0)
|
||||
SrCO3 3.405e-08 3.704e-08 -7.468 -7.431 0.037 -14.14
|
||||
(CO2)2 3.892e-12 4.234e-12 -11.410 -11.373 0.037 68.67
|
||||
C(4) 4.811e-04
|
||||
HCO3- 3.809e-04 2.707e-04 -3.419 -3.568 -0.148 25.73
|
||||
CaHCO3+ 3.057e-05 2.214e-05 -4.515 -4.655 -0.140 9.84
|
||||
NaHCO3 2.383e-05 2.891e-05 -4.623 -4.539 0.084 28.00
|
||||
MgHCO3+ 2.149e-05 1.449e-05 -4.668 -4.839 -0.171 5.70
|
||||
CO2 1.499e-05 1.585e-05 -4.824 -4.800 0.024 34.33
|
||||
CaCO3 4.767e-06 5.185e-06 -5.322 -5.285 0.037 -14.61
|
||||
MgCO3 1.903e-06 2.070e-06 -5.721 -5.684 0.037 -17.09
|
||||
CO3-2 1.901e-06 4.849e-07 -5.721 -6.314 -0.593 -1.67
|
||||
SrHCO3+ 6.993e-07 4.970e-07 -6.155 -6.304 -0.148 (0)
|
||||
SrCO3 3.448e-08 3.750e-08 -7.462 -7.426 0.037 -14.14
|
||||
(CO2)2 3.964e-12 4.312e-12 -11.402 -11.365 0.037 68.67
|
||||
Ca 2.580e-02
|
||||
Ca+2 2.377e-02 6.596e-03 -1.624 -2.181 -0.557 -17.02
|
||||
CaSO4 1.991e-03 2.166e-03 -2.701 -2.664 0.037 7.42
|
||||
CaHCO3+ 3.021e-05 2.187e-05 -4.520 -4.660 -0.140 9.84
|
||||
CaCO3 4.709e-06 5.122e-06 -5.327 -5.291 0.037 -14.61
|
||||
CaOH+ 5.898e-08 4.314e-08 -7.229 -7.365 -0.136 (0)
|
||||
CaHSO4+ 4.752e-10 3.476e-10 -9.323 -9.459 -0.136 (0)
|
||||
Ca+2 2.384e-02 6.616e-03 -1.623 -2.179 -0.557 -17.02
|
||||
CaSO4 1.923e-03 2.092e-03 -2.716 -2.679 0.037 7.42
|
||||
CaHCO3+ 3.057e-05 2.214e-05 -4.515 -4.655 -0.140 9.84
|
||||
CaCO3 4.767e-06 5.185e-06 -5.322 -5.285 0.037 -14.61
|
||||
CaOH+ 5.916e-08 4.327e-08 -7.228 -7.364 -0.136 (0)
|
||||
CaHSO4+ 4.591e-10 3.358e-10 -9.338 -9.474 -0.136 (0)
|
||||
Cl 3.000e-01
|
||||
Cl- 3.000e-01 2.017e-01 -0.523 -0.695 -0.172 18.53
|
||||
HCl 1.235e-09 1.767e-09 -8.908 -8.753 0.155 (0)
|
||||
H(0) 0.000e+00
|
||||
H2 0.000e+00 0.000e+00 -44.617 -44.580 0.037 28.61
|
||||
Hto 1.140e-09
|
||||
Hto 1.140e-09 1.140e-09 -8.943 -8.943 0.000 (0)
|
||||
K 1.610e-03
|
||||
K+ 1.591e-03 1.061e-03 -2.798 -2.974 -0.176 9.40
|
||||
KSO4- 1.899e-05 1.349e-05 -4.722 -4.870 -0.148 34.58
|
||||
K+ 1.595e-03 1.064e-03 -2.797 -2.973 -0.176 9.40
|
||||
KSO4- 1.464e-05 7.267e-06 -4.834 -5.139 -0.304 29.98
|
||||
Mg 1.690e-02
|
||||
Mg+2 1.511e-02 4.617e-03 -1.821 -2.336 -0.515 -20.64
|
||||
MgSO4 1.771e-03 1.926e-03 -2.752 -2.715 0.037 5.76
|
||||
MgHCO3+ 2.132e-05 1.437e-05 -4.671 -4.843 -0.171 5.70
|
||||
MgCO3 1.887e-06 2.053e-06 -5.724 -5.688 0.037 -17.09
|
||||
MgOH+ 7.503e-07 5.508e-07 -6.125 -6.259 -0.134 (0)
|
||||
Mg+2 1.509e-02 4.612e-03 -1.821 -2.336 -0.515 -20.64
|
||||
MgSO4 1.750e-03 2.071e-03 -2.757 -2.684 0.073 -1.17
|
||||
Mg(SO4)2-2 4.016e-05 1.278e-05 -4.396 -4.894 -0.497 46.11
|
||||
MgHCO3+ 2.149e-05 1.449e-05 -4.668 -4.839 -0.171 5.70
|
||||
MgCO3 1.903e-06 2.070e-06 -5.721 -5.684 0.037 -17.09
|
||||
MgOH+ 7.495e-07 5.502e-07 -6.125 -6.259 -0.134 (0)
|
||||
Na 2.400e-01
|
||||
Na+ 2.377e-01 1.723e-01 -0.624 -0.764 -0.140 -0.85
|
||||
NaSO4- 2.249e-03 1.598e-03 -2.648 -2.796 -0.148 19.10
|
||||
NaHCO3 2.416e-05 2.628e-05 -4.617 -4.580 0.037 1.80
|
||||
NaCO3- 1.904e-06 1.393e-06 -5.720 -5.856 -0.136 1.01
|
||||
NaOH 5.415e-18 5.890e-18 -17.266 -17.230 0.037 (0)
|
||||
Na+ 2.374e-01 1.721e-01 -0.624 -0.764 -0.140 -0.85
|
||||
NaSO4- 2.562e-03 1.263e-03 -2.591 -2.899 -0.307 18.52
|
||||
NaHCO3 2.383e-05 2.891e-05 -4.623 -4.539 0.084 28.00
|
||||
NaOH 5.408e-18 5.883e-18 -17.267 -17.230 0.037 (0)
|
||||
O(0) 2.437e-04
|
||||
O2 1.218e-04 1.325e-04 -3.914 -3.878 0.037 30.24
|
||||
S(6) 1.410e-02
|
||||
SO4-2 8.029e-03 1.874e-03 -2.095 -2.727 -0.632 16.37
|
||||
NaSO4- 2.249e-03 1.598e-03 -2.648 -2.796 -0.148 19.10
|
||||
CaSO4 1.991e-03 2.166e-03 -2.701 -2.664 0.037 7.42
|
||||
MgSO4 1.771e-03 1.926e-03 -2.752 -2.715 0.037 5.76
|
||||
SrSO4 4.203e-05 4.572e-05 -4.376 -4.340 0.037 24.16
|
||||
KSO4- 1.899e-05 1.349e-05 -4.722 -4.870 -0.148 34.58
|
||||
HSO4- 5.993e-09 4.384e-09 -8.222 -8.358 -0.136 40.64
|
||||
CaHSO4+ 4.752e-10 3.476e-10 -9.323 -9.459 -0.136 (0)
|
||||
SO4-2 7.729e-03 1.805e-03 -2.112 -2.743 -0.632 16.64
|
||||
NaSO4- 2.562e-03 1.263e-03 -2.591 -2.899 -0.307 18.52
|
||||
CaSO4 1.923e-03 2.092e-03 -2.716 -2.679 0.037 7.42
|
||||
MgSO4 1.750e-03 2.071e-03 -2.757 -2.684 0.073 -1.17
|
||||
SrSO4 4.061e-05 4.418e-05 -4.391 -4.355 0.037 24.16
|
||||
Mg(SO4)2-2 4.016e-05 1.278e-05 -4.396 -4.894 -0.497 46.11
|
||||
KSO4- 1.464e-05 7.267e-06 -4.834 -5.139 -0.304 29.98
|
||||
HSO4- 5.771e-09 4.222e-09 -8.239 -8.374 -0.136 40.64
|
||||
CaHSO4+ 4.591e-10 3.358e-10 -9.338 -9.474 -0.136 (0)
|
||||
Sr 5.050e-04
|
||||
Sr+2 4.622e-04 1.281e-04 -3.335 -3.892 -0.557 -16.73
|
||||
SrSO4 4.203e-05 4.572e-05 -4.376 -4.340 0.037 24.16
|
||||
SrHCO3+ 6.907e-07 4.908e-07 -6.161 -6.309 -0.148 (0)
|
||||
SrCO3 3.405e-08 3.704e-08 -7.468 -7.431 0.037 -14.14
|
||||
SrOH+ 3.693e-10 2.589e-10 -9.433 -9.587 -0.154 (0)
|
||||
Sr+2 4.637e-04 1.285e-04 -3.334 -3.891 -0.557 -16.73
|
||||
SrSO4 4.061e-05 4.418e-05 -4.391 -4.355 0.037 24.16
|
||||
SrHCO3+ 6.993e-07 4.970e-07 -6.155 -6.304 -0.148 (0)
|
||||
SrCO3 3.448e-08 3.750e-08 -7.462 -7.426 0.037 -14.14
|
||||
SrOH+ 3.705e-10 2.598e-10 -9.431 -9.585 -0.154 (0)
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
|
||||
Phase SI** log IAP log K(296 K, 1 atm)
|
||||
|
||||
Anhydrite -0.65 -4.91 -4.26 CaSO4
|
||||
Aragonite -0.18 -8.50 -8.32 CaCO3
|
||||
Calcite -0.03 -8.50 -8.47 CaCO3
|
||||
Celestite 0.03 -6.62 -6.65 SrSO4
|
||||
Anhydrite -0.67 -4.92 -4.26 CaSO4
|
||||
Aragonite -0.17 -8.49 -8.32 CaCO3
|
||||
Arcanite -6.78 -8.69 -1.91 K2SO4
|
||||
Calcite -0.03 -8.49 -8.47 CaCO3
|
||||
Celestite 0.01 -6.63 -6.65 SrSO4
|
||||
CO2(g) -3.36 -4.80 -1.44 CO2
|
||||
Dolomite -0.11 -17.15 -17.04 CaMg(CO3)2
|
||||
Gypsum -0.33 -4.92 -4.58 CaSO4:2H2O
|
||||
Dolomite -0.09 -17.14 -17.05 CaMg(CO3)2
|
||||
Epsomite -3.36 -5.11 -1.75 MgSO4:7H2O
|
||||
Gypsum -0.35 -4.93 -4.58 CaSO4:2H2O
|
||||
H2(g) -41.48 -44.58 -3.10 H2
|
||||
H2O(g) -1.56 -0.00 1.55 H2O
|
||||
Halite -3.03 -1.46 1.57 NaCl
|
||||
Hexahydrite -3.54 -5.11 -1.57 MgSO4:6H2O
|
||||
Kieserite -3.91 -5.08 -1.17 MgSO4:H2O
|
||||
Mirabilite -2.99 -4.32 -1.33 Na2SO4:10H2O
|
||||
O2(g) -1.00 -3.88 -2.88 O2 Pressure 0.1 atm, phi 1.000
|
||||
Strontianite -0.94 -10.21 -9.27 SrCO3
|
||||
Sylvite -4.56 -3.67 0.89 KCl
|
||||
Thenardite -3.98 -4.27 -0.29 Na2SO4
|
||||
|
||||
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
||||
For ideal gases, phi = 1.
|
||||
@ -919,6 +929,10 @@ WARNING: No porosities were read; used the value 1.59e-01 from -multi_D.
|
||||
60 put(a, 2)
|
||||
70 plot_xy days, equi("A_Hto"), y_axis = 2, color = Red, symbol = None
|
||||
END
|
||||
WARNING:
|
||||
Calculating transport: 1 (mobile) cells, 1120 shifts, 1 mixruns...
|
||||
|
||||
|
||||
WARNING: Maximum iterations exceeded, 100
|
||||
|
||||
WARNING: Numerical method failed with this set of convergence parameters.
|
||||
@ -1111,13 +1125,12 @@ WARNING: Numerical method failed with this set of convergence parameters.
|
||||
|
||||
WARNING: Trying diagonal scaling ...
|
||||
|
||||
WARNING: Maximum iterations exceeded, 100
|
||||
|
||||
TRANSPORT
|
||||
shifts 0
|
||||
punch_frequency 2
|
||||
punch_cells 3-17
|
||||
USER_GRAPH 1
|
||||
WARNING: No porosities were read; used the value 1.59e-01 from -multi_D.
|
||||
-detach
|
||||
USER_GRAPH 5 Example 21
|
||||
-chart_title "Hto Concentration Profile: Filter1 | Clay | Filter2"
|
||||
@ -1144,7 +1157,7 @@ WARNING: Maximum iterations exceeded, 100
|
||||
220 IF cell_no = 3 THEN put(y1, 15)
|
||||
230 IF (cell_no < 5 OR cell_no > 15) THEN GOTO 400
|
||||
240 y2 = SYS("Hto") / (tot("water") + edl("water"))
|
||||
250 REM y2 = y2 / 1.4281e+01
|
||||
250 REM y2 = y2 / 1.4281e+01# conc / kg solid
|
||||
260 plot_xy xval * 1e3, y2, symbol = Circle, y_axis = 2
|
||||
270 IF (cell_no > 6) THEN GOTO 400
|
||||
280 IF 1 THEN plot_xy 1.8000e+00, get(15), color = Black, symbol = None
|
||||
@ -1152,8 +1165,8 @@ WARNING: Maximum iterations exceeded, 100
|
||||
300 put(0, 15)
|
||||
400 put(xval, 14)
|
||||
END
|
||||
END
|
||||
--------------------------------
|
||||
End of Run after 18.281 Seconds.
|
||||
--------------------------------
|
||||
WARNING:
|
||||
Calculating transport: 1 (mobile) cells, 0 shifts, 1 mixruns...
|
||||
|
||||
|
||||
END
|
||||
|
||||
File diff suppressed because it is too large
Load Diff
@ -23,7 +23,3 @@ Reading input data for simulation 1.
|
||||
Data in ex2b.tsv from Blount and Dickson, 1973, Am. Mineral. 58, 323, fig. 2.
|
||||
PRINT
|
||||
reset false
|
||||
------------------------------
|
||||
End of Run after 0.02 Seconds.
|
||||
------------------------------
|
||||
|
||||
|
||||
@ -50,16 +50,15 @@ Initial solution 1. Pure water
|
||||
|
||||
pH = 7.000
|
||||
pe = 4.000
|
||||
Specific Conductance (µS/cm, 25°C) = 0
|
||||
Density (g/cm³) = 0.99704
|
||||
Specific Conductance (µS/cm, 25°C) = 0
|
||||
Density (g/cm³) = 0.99704
|
||||
Volume (L) = 1.00297
|
||||
Viscosity (mPa s) = 0.89002
|
||||
Activity of water = 1.000
|
||||
Ionic strength (mol/kgw) = 1.007e-07
|
||||
Mass of water (kg) = 1.000e+00
|
||||
Total alkalinity (eq/kg) = 1.217e-09
|
||||
Total carbon (mol/kg) = 0.000e+00
|
||||
Total CO2 (mol/kg) = 0.000e+00
|
||||
Temperature (°C) = 25.00
|
||||
Temperature (°C) = 25.00
|
||||
Electrical balance (eq) = -1.217e-09
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.60
|
||||
Iterations = 0
|
||||
@ -69,7 +68,7 @@ Initial solution 1. Pure water
|
||||
----------------------------Distribution of species----------------------------
|
||||
|
||||
Log Log Log mole V
|
||||
Species Molality Activity Molality Activity Gamma cm³/mol
|
||||
Species Molality Activity Molality Activity Gamma cm³/mol
|
||||
|
||||
OH- 1.013e-07 1.012e-07 -6.995 -6.995 -0.000 -4.14
|
||||
H+ 1.001e-07 1.000e-07 -7.000 -7.000 -0.000 0.00
|
||||
@ -105,28 +104,29 @@ Using pure phase assemblage 1.
|
||||
Phase SI log IAP log K(T, P) Initial Final Delta
|
||||
|
||||
CO2(g) -2.00 -3.47 -1.47 1.000e+01 9.998e+00 -1.976e-03
|
||||
Calcite 0.00 -8.48 -8.48 1.000e+01 9.998e+00 -1.646e-03
|
||||
Calcite 0.00 -8.48 -8.48 1.000e+01 9.998e+00 -1.645e-03
|
||||
|
||||
-----------------------------Solution composition------------------------------
|
||||
|
||||
Elements Molality Moles
|
||||
|
||||
C 3.622e-03 3.622e-03
|
||||
Ca 1.646e-03 1.646e-03
|
||||
C 3.622e-03 3.621e-03
|
||||
Ca 1.645e-03 1.645e-03
|
||||
|
||||
----------------------------Description of solution----------------------------
|
||||
|
||||
pH = 7.297 Charge balance
|
||||
pe = -1.575 Adjusted to redox equilibrium
|
||||
Specific Conductance (µS/cm, 25°C) = 299
|
||||
Density (g/cm³) = 0.99726
|
||||
Specific Conductance (µS/cm, 25°C) = 304
|
||||
Density (g/cm³) = 0.99726
|
||||
Volume (L) = 1.00300
|
||||
Viscosity (mPa s) = 0.89187
|
||||
Activity of water = 1.000
|
||||
Ionic strength (mol/kgw) = 4.826e-03
|
||||
Mass of water (kg) = 1.000e+00
|
||||
Total alkalinity (eq/kg) = 3.291e-03
|
||||
Total CO2 (mol/kg) = 3.622e-03
|
||||
Temperature (°C) = 25.00
|
||||
Temperature (°C) = 25.00
|
||||
Electrical balance (eq) = -1.217e-09
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
|
||||
Iterations = 17
|
||||
@ -136,29 +136,29 @@ Calcite 0.00 -8.48 -8.48 1.000e+01 9.998e+00 -1.646e-03
|
||||
----------------------------Distribution of species----------------------------
|
||||
|
||||
Log Log Log mole V
|
||||
Species Molality Activity Molality Activity Gamma cm³/mol
|
||||
Species Molality Activity Molality Activity Gamma cm³/mol
|
||||
|
||||
OH- 2.162e-07 2.005e-07 -6.665 -6.698 -0.033 -4.07
|
||||
H+ 5.401e-08 5.048e-08 -7.268 -7.297 -0.029 0.00
|
||||
H+ 5.402e-08 5.048e-08 -7.267 -7.297 -0.029 0.00
|
||||
H2O 5.551e+01 9.999e-01 1.744 -0.000 0.000 18.07
|
||||
C(-4) 1.394e-25
|
||||
CH4 1.394e-25 1.395e-25 -24.856 -24.855 0.000 35.46
|
||||
C(-4) 1.404e-25
|
||||
CH4 1.404e-25 1.406e-25 -24.853 -24.852 0.000 35.46
|
||||
C(4) 3.622e-03
|
||||
HCO3- 3.224e-03 2.998e-03 -2.492 -2.523 -0.032 24.73
|
||||
CO2 3.399e-04 3.403e-04 -3.469 -3.468 0.000 34.43
|
||||
CaHCO3+ 4.887e-05 4.549e-05 -4.311 -4.342 -0.031 9.70
|
||||
CaCO3 5.559e-06 5.565e-06 -5.255 -5.255 0.000 -14.60
|
||||
CO3-2 3.724e-06 2.785e-06 -5.429 -5.555 -0.126 -5.13
|
||||
HCO3- 3.223e-03 2.998e-03 -2.492 -2.523 -0.032 24.60
|
||||
CO2 3.400e-04 3.403e-04 -3.469 -3.468 0.000 34.43
|
||||
CaHCO3+ 4.886e-05 4.548e-05 -4.311 -4.342 -0.031 9.70
|
||||
CaCO3 5.557e-06 5.563e-06 -5.255 -5.255 0.000 -14.60
|
||||
CO3-2 3.723e-06 2.785e-06 -5.429 -5.555 -0.126 -3.91
|
||||
(CO2)2 2.123e-09 2.125e-09 -8.673 -8.673 0.000 68.87
|
||||
Ca 1.646e-03
|
||||
Ca 1.645e-03
|
||||
Ca+2 1.591e-03 1.189e-03 -2.798 -2.925 -0.126 -18.02
|
||||
CaHCO3+ 4.887e-05 4.549e-05 -4.311 -4.342 -0.031 9.70
|
||||
CaCO3 5.559e-06 5.565e-06 -5.255 -5.255 0.000 -14.60
|
||||
CaOH+ 4.213e-09 3.910e-09 -8.375 -8.408 -0.032 (0)
|
||||
H(0) 5.084e-15
|
||||
H2 2.542e-15 2.545e-15 -14.595 -14.594 0.000 28.61
|
||||
CaHCO3+ 4.886e-05 4.548e-05 -4.311 -4.342 -0.031 9.70
|
||||
CaCO3 5.557e-06 5.563e-06 -5.255 -5.255 0.000 -14.60
|
||||
CaOH+ 4.212e-09 3.909e-09 -8.376 -8.408 -0.032 (0)
|
||||
H(0) 5.093e-15
|
||||
H2 2.547e-15 2.549e-15 -14.594 -14.594 0.000 28.61
|
||||
O(0) 0.000e+00
|
||||
O2 0.000e+00 0.000e+00 -63.192 -63.191 0.000 30.40
|
||||
O2 0.000e+00 0.000e+00 -63.193 -63.193 0.000 30.40
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
|
||||
@ -166,7 +166,7 @@ O(0) 0.000e+00
|
||||
|
||||
Aragonite -0.14 -8.48 -8.34 CaCO3
|
||||
Calcite 0.00 -8.48 -8.48 CaCO3
|
||||
CH4(g) -22.05 -24.86 -2.80 CH4
|
||||
CH4(g) -22.05 -24.85 -2.80 CH4
|
||||
CO2(g) -2.00 -3.47 -1.47 CO2 Pressure 0.0 atm, phi 1.000
|
||||
H2(g) -11.49 -14.59 -3.10 H2
|
||||
H2O(g) -1.50 -0.00 1.50 H2O
|
||||
@ -228,103 +228,111 @@ Initial solution 2. Seawater
|
||||
|
||||
pH = 8.220
|
||||
pe = 8.451
|
||||
Specific Conductance (µS/cm, 25°C) = 52630
|
||||
Density (g/cm³) = 1.02323
|
||||
Volume (L) = 1.01282
|
||||
Specific Conductance (µS/cm, 25°C) = 52731
|
||||
Density (g/cm³) = 1.02327
|
||||
Volume (L) = 1.01279
|
||||
Viscosity (mPa s) = 0.95702
|
||||
Activity of water = 0.981
|
||||
Ionic strength (mol/kgw) = 6.747e-01
|
||||
Ionic strength (mol/kgw) = 6.741e-01
|
||||
Mass of water (kg) = 1.000e+00
|
||||
Total carbon (mol/kg) = 2.182e-03
|
||||
Total CO2 (mol/kg) = 2.182e-03
|
||||
Temperature (°C) = 25.00
|
||||
Total carbon (mol/kg) = 2.240e-03
|
||||
Total CO2 (mol/kg) = 2.240e-03
|
||||
Temperature (°C) = 25.00
|
||||
Electrical balance (eq) = 7.967e-04
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.07
|
||||
Iterations = 7
|
||||
Total H = 1.110147e+02
|
||||
Total O = 5.563009e+01
|
||||
Iterations = 8
|
||||
Total H = 1.110148e+02
|
||||
Total O = 5.563026e+01
|
||||
|
||||
----------------------------Distribution of species----------------------------
|
||||
|
||||
Log Log Log mole V
|
||||
Species Molality Activity Molality Activity Gamma cm³/mol
|
||||
Species Molality Activity Molality Activity Gamma cm³/mol
|
||||
|
||||
OH- 2.705e-06 1.647e-06 -5.568 -5.783 -0.215 -2.63
|
||||
H+ 7.984e-09 6.026e-09 -8.098 -8.220 -0.122 0.00
|
||||
H+ 7.983e-09 6.026e-09 -8.098 -8.220 -0.122 0.00
|
||||
H2O 5.551e+01 9.806e-01 1.744 -0.009 0.000 18.07
|
||||
C(4) 2.182e-03
|
||||
HCO3- 1.485e-03 1.003e-03 -2.828 -2.999 -0.171 26.98
|
||||
MgHCO3+ 2.560e-04 1.610e-04 -3.592 -3.793 -0.201 5.82
|
||||
NaHCO3 1.658e-04 1.936e-04 -3.780 -3.713 0.067 1.80
|
||||
MgCO3 8.748e-05 1.022e-04 -4.058 -3.991 0.067 -17.09
|
||||
NaCO3- 6.682e-05 4.991e-05 -4.175 -4.302 -0.127 2.88
|
||||
CaHCO3+ 4.454e-05 3.081e-05 -4.351 -4.511 -0.160 9.96
|
||||
CO3-2 3.753e-05 7.804e-06 -4.426 -5.108 -0.682 -1.97
|
||||
CaCO3 2.703e-05 3.158e-05 -4.568 -4.501 0.067 -14.60
|
||||
CO2 1.186e-05 1.385e-05 -4.926 -4.858 0.067 34.43
|
||||
(CO2)2 3.016e-12 3.523e-12 -11.521 -11.453 0.067 68.87
|
||||
C(4) 2.240e-03
|
||||
HCO3- 1.572e-03 1.062e-03 -2.803 -2.974 -0.170 26.61
|
||||
MgHCO3+ 2.743e-04 1.725e-04 -3.562 -3.763 -0.201 5.82
|
||||
NaHCO3 1.700e-04 2.430e-04 -3.770 -3.614 0.155 28.00
|
||||
MgCO3 9.375e-05 1.095e-04 -4.028 -3.961 0.067 -17.09
|
||||
CaHCO3+ 4.751e-05 3.288e-05 -4.323 -4.483 -0.160 9.96
|
||||
CO3-2 3.973e-05 8.264e-06 -4.401 -5.083 -0.682 -0.40
|
||||
CaCO3 2.885e-05 3.369e-05 -4.540 -4.472 0.067 -14.60
|
||||
CO2 1.324e-05 1.467e-05 -4.878 -4.834 0.044 34.43
|
||||
(CO2)2 3.382e-12 3.950e-12 -11.471 -11.403 0.067 68.87
|
||||
Ca 1.066e-02
|
||||
Ca+2 9.634e-03 2.409e-03 -2.016 -2.618 -0.602 -16.69
|
||||
CaSO4 9.548e-04 1.115e-03 -3.020 -2.953 0.067 7.50
|
||||
CaHCO3+ 4.454e-05 3.081e-05 -4.351 -4.511 -0.160 9.96
|
||||
CaCO3 2.703e-05 3.158e-05 -4.568 -4.501 0.067 -14.60
|
||||
CaOH+ 8.711e-08 6.505e-08 -7.060 -7.187 -0.127 (0)
|
||||
CaHSO4+ 5.915e-11 4.418e-11 -10.228 -10.355 -0.127 (0)
|
||||
Ca+2 9.706e-03 2.427e-03 -2.013 -2.615 -0.602 -16.70
|
||||
CaSO4 8.788e-04 1.026e-03 -3.056 -2.989 0.067 7.50
|
||||
CaHCO3+ 4.751e-05 3.288e-05 -4.323 -4.483 -0.160 9.96
|
||||
CaCO3 2.885e-05 3.369e-05 -4.540 -4.472 0.067 -14.60
|
||||
CaOH+ 8.777e-08 6.554e-08 -7.057 -7.183 -0.127 (0)
|
||||
CaHSO4+ 5.444e-11 4.065e-11 -10.264 -10.391 -0.127 (0)
|
||||
Cl 5.657e-01
|
||||
Cl- 5.657e-01 3.568e-01 -0.247 -0.448 -0.200 18.79
|
||||
H(0) 5.515e-37
|
||||
HCl 3.826e-10 7.407e-10 -9.417 -9.130 0.287 (0)
|
||||
H(0) 5.516e-37
|
||||
H2 2.758e-37 3.221e-37 -36.559 -36.492 0.067 28.61
|
||||
K 1.058e-02
|
||||
K+ 1.040e-02 6.483e-03 -1.983 -2.188 -0.205 9.66
|
||||
KSO4- 1.756e-04 1.186e-04 -3.755 -3.926 -0.171 34.85
|
||||
K+ 1.043e-02 6.501e-03 -1.982 -2.187 -0.205 9.66
|
||||
KSO4- 1.471e-04 5.683e-05 -3.832 -4.245 -0.413 32.21
|
||||
Mg 5.507e-02
|
||||
Mg+2 4.754e-02 1.372e-02 -1.323 -1.863 -0.540 -20.41
|
||||
MgSO4 7.170e-03 8.375e-03 -2.144 -2.077 0.067 5.84
|
||||
MgHCO3+ 2.560e-04 1.610e-04 -3.592 -3.793 -0.201 5.82
|
||||
MgCO3 8.748e-05 1.022e-04 -4.058 -3.991 0.067 -17.09
|
||||
MgOH+ 1.151e-05 8.107e-06 -4.939 -5.091 -0.152 (0)
|
||||
Mg+2 4.811e-02 1.389e-02 -1.318 -1.857 -0.540 -20.41
|
||||
MgSO4 6.339e-03 8.646e-03 -2.198 -2.063 0.135 -0.83
|
||||
MgHCO3+ 2.743e-04 1.725e-04 -3.562 -3.763 -0.201 5.82
|
||||
Mg(SO4)2-2 2.394e-04 6.773e-05 -3.621 -4.169 -0.548 48.54
|
||||
MgCO3 9.375e-05 1.095e-04 -4.028 -3.961 0.067 -17.09
|
||||
MgOH+ 1.164e-05 8.204e-06 -4.934 -5.086 -0.152 (0)
|
||||
Na 4.854e-01
|
||||
Na+ 4.785e-01 3.434e-01 -0.320 -0.464 -0.144 -0.50
|
||||
NaSO4- 6.637e-03 4.482e-03 -2.178 -2.349 -0.171 21.21
|
||||
NaHCO3 1.658e-04 1.936e-04 -3.780 -3.713 0.067 1.80
|
||||
NaCO3- 6.682e-05 4.991e-05 -4.175 -4.302 -0.127 2.88
|
||||
NaOH 4.843e-17 5.657e-17 -16.315 -16.247 0.067 (0)
|
||||
O(0) 6.615e-20
|
||||
O2 3.307e-20 3.863e-20 -19.481 -19.413 0.067 30.40
|
||||
Na+ 4.769e-01 3.422e-01 -0.322 -0.466 -0.144 -0.50
|
||||
NaSO4- 8.339e-03 3.180e-03 -2.079 -2.498 -0.419 20.67
|
||||
NaHCO3 1.700e-04 2.430e-04 -3.770 -3.614 0.155 28.00
|
||||
NaOH 4.827e-17 5.637e-17 -16.316 -16.249 0.067 (0)
|
||||
O(0) 6.616e-20
|
||||
O2 3.308e-20 3.863e-20 -19.480 -19.413 0.067 30.40
|
||||
S(6) 2.926e-02
|
||||
SO4-2 1.432e-02 2.604e-03 -1.844 -2.584 -0.740 17.49
|
||||
MgSO4 7.170e-03 8.375e-03 -2.144 -2.077 0.067 5.84
|
||||
NaSO4- 6.637e-03 4.482e-03 -2.178 -2.349 -0.171 21.21
|
||||
CaSO4 9.548e-04 1.115e-03 -3.020 -2.953 0.067 7.50
|
||||
KSO4- 1.756e-04 1.186e-04 -3.755 -3.926 -0.171 34.85
|
||||
HSO4- 2.042e-09 1.525e-09 -8.690 -8.817 -0.127 40.96
|
||||
CaHSO4+ 5.915e-11 4.418e-11 -10.228 -10.355 -0.127 (0)
|
||||
SO4-2 1.307e-02 2.378e-03 -1.884 -2.624 -0.740 17.77
|
||||
NaSO4- 8.339e-03 3.180e-03 -2.079 -2.498 -0.419 20.67
|
||||
MgSO4 6.339e-03 8.646e-03 -2.198 -2.063 0.135 -0.83
|
||||
CaSO4 8.788e-04 1.026e-03 -3.056 -2.989 0.067 7.50
|
||||
Mg(SO4)2-2 2.394e-04 6.773e-05 -3.621 -4.169 -0.548 48.54
|
||||
KSO4- 1.471e-04 5.683e-05 -3.832 -4.245 -0.413 32.21
|
||||
HSO4- 1.866e-09 1.393e-09 -8.729 -8.856 -0.127 40.96
|
||||
CaHSO4+ 5.444e-11 4.065e-11 -10.264 -10.391 -0.127 (0)
|
||||
Si 7.382e-05
|
||||
H4SiO4 7.061e-05 8.248e-05 -4.151 -4.084 0.067 52.08
|
||||
H3SiO4- 3.210e-06 2.018e-06 -5.494 -5.695 -0.201 28.72
|
||||
H2SiO4-2 1.096e-10 2.279e-11 -9.960 -10.642 -0.682 (0)
|
||||
H4SiO4 7.061e-05 8.247e-05 -4.151 -4.084 0.067 52.08
|
||||
H3SiO4- 3.209e-06 2.018e-06 -5.494 -5.695 -0.201 28.72
|
||||
H2SiO4-2 1.095e-10 2.278e-11 -9.961 -10.642 -0.682 (0)
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
|
||||
Phase SI** log IAP log K(298 K, 1 atm)
|
||||
|
||||
Anhydrite -0.93 -5.20 -4.28 CaSO4
|
||||
Aragonite 0.61 -7.73 -8.34 CaCO3
|
||||
Calcite 0.75 -7.73 -8.48 CaCO3
|
||||
Anhydrite -0.96 -5.24 -4.28 CaSO4
|
||||
Aragonite 0.64 -7.70 -8.34 CaCO3
|
||||
Arcanite -5.12 -7.00 -1.88 K2SO4
|
||||
Calcite 0.78 -7.70 -8.48 CaCO3
|
||||
Chalcedony -0.52 -4.07 -3.55 SiO2
|
||||
Chrysotile 3.36 35.56 32.20 Mg3Si2O5(OH)4
|
||||
CO2(g) -3.39 -4.86 -1.47 CO2
|
||||
Dolomite 2.39 -14.70 -17.09 CaMg(CO3)2
|
||||
Gypsum -0.64 -5.22 -4.58 CaSO4:2H2O
|
||||
Chrysotile 3.37 35.57 32.20 Mg3Si2O5(OH)4
|
||||
CO2(g) -3.37 -4.83 -1.47 CO2
|
||||
Dolomite 2.45 -14.64 -17.08 CaMg(CO3)2
|
||||
Epsomite -2.80 -4.54 -1.74 MgSO4:7H2O
|
||||
Gypsum -0.67 -5.26 -4.58 CaSO4:2H2O
|
||||
H2(g) -33.39 -36.49 -3.10 H2
|
||||
H2O(g) -1.51 -0.01 1.50 H2O
|
||||
Halite -2.48 -0.91 1.57 NaCl
|
||||
Hexahydrite -2.97 -4.53 -1.57 MgSO4:6H2O
|
||||
Kieserite -3.33 -4.49 -1.16 MgSO4:H2O
|
||||
Mirabilite -2.40 -3.64 -1.24 Na2SO4:10H2O
|
||||
O2(g) -16.52 -19.41 -2.89 O2
|
||||
Quartz -0.09 -4.07 -3.98 SiO2
|
||||
Sepiolite 1.15 16.91 15.76 Mg2Si3O7.5OH:3H2O
|
||||
Sepiolite(d) -1.75 16.91 18.66 Mg2Si3O7.5OH:3H2O
|
||||
Sepiolite 1.16 16.92 15.76 Mg2Si3O7.5OH:3H2O
|
||||
Sepiolite(d) -1.74 16.92 18.66 Mg2Si3O7.5OH:3H2O
|
||||
SiO2(a) -1.35 -4.07 -2.71 SiO2
|
||||
Sylvite -3.54 -2.64 0.90 KCl
|
||||
Talc 6.03 27.43 21.40 Mg3Si4O10(OH)2
|
||||
Sylvite -3.53 -2.63 0.90 KCl
|
||||
Talc 6.05 27.45 21.40 Mg3Si4O10(OH)2
|
||||
Thenardite -3.25 -3.56 -0.30 Na2SO4
|
||||
|
||||
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
||||
For ideal gases, phi = 1.
|
||||
@ -366,7 +374,7 @@ Mixture 1.
|
||||
|
||||
Elements Molality Moles
|
||||
|
||||
C 3.190e-03 3.190e-03
|
||||
C 3.207e-03 3.207e-03
|
||||
Ca 4.350e-03 4.350e-03
|
||||
Cl 1.697e-01 1.697e-01
|
||||
K 3.173e-03 3.173e-03
|
||||
@ -377,114 +385,123 @@ Mixture 1.
|
||||
|
||||
----------------------------Description of solution----------------------------
|
||||
|
||||
pH = 7.349 Charge balance
|
||||
pe = -1.871 Adjusted to redox equilibrium
|
||||
Specific Conductance (µS/cm, 25°C) = 18383
|
||||
Density (g/cm³) = 1.00525
|
||||
pH = 7.332 Charge balance
|
||||
pe = 10.251 Adjusted to redox equilibrium
|
||||
Specific Conductance (µS/cm, 25°C) = 18410
|
||||
Density (g/cm³) = 1.00526
|
||||
Volume (L) = 1.00580
|
||||
Viscosity (mPa s) = 0.91134
|
||||
Activity of water = 0.994
|
||||
Ionic strength (mol/kgw) = 2.088e-01
|
||||
Ionic strength (mol/kgw) = 2.085e-01
|
||||
Mass of water (kg) = 1.000e+00
|
||||
Total alkalinity (eq/kg) = 3.026e-03
|
||||
Total CO2 (mol/kg) = 3.190e-03
|
||||
Temperature (°C) = 25.00
|
||||
Total CO2 (mol/kg) = 3.207e-03
|
||||
Temperature (°C) = 25.00
|
||||
Electrical balance (eq) = 2.390e-04
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.06
|
||||
Iterations = 12
|
||||
Iterations = 14
|
||||
Total H = 1.110131e+02
|
||||
Total O = 5.554960e+01
|
||||
Total O = 5.554965e+01
|
||||
|
||||
----------------------------Distribution of species----------------------------
|
||||
|
||||
Log Log Log mole V
|
||||
Species Molality Activity Molality Activity Gamma cm³/mol
|
||||
Species Molality Activity Molality Activity Gamma cm³/mol
|
||||
|
||||
OH- 3.194e-07 2.247e-07 -6.496 -6.648 -0.153 -3.48
|
||||
H+ 5.626e-08 4.478e-08 -7.250 -7.349 -0.099 0.00
|
||||
OH- 3.070e-07 2.160e-07 -6.513 -6.666 -0.153 -3.48
|
||||
H+ 5.852e-08 4.658e-08 -7.233 -7.332 -0.099 0.00
|
||||
H2O 5.551e+01 9.941e-01 1.744 -0.003 0.000 18.07
|
||||
C(-4) 7.127e-24
|
||||
CH4 7.127e-24 7.478e-24 -23.147 -23.126 0.021 35.46
|
||||
C(4) 3.190e-03
|
||||
HCO3- 2.657e-03 1.975e-03 -2.576 -2.704 -0.129 25.56
|
||||
CO2 1.907e-04 2.001e-04 -3.720 -3.699 0.021 34.43
|
||||
MgHCO3+ 1.603e-04 1.146e-04 -3.795 -3.941 -0.146 5.72
|
||||
NaHCO3 1.140e-04 1.196e-04 -3.943 -3.922 0.021 1.80
|
||||
CaHCO3+ 4.211e-05 3.175e-05 -4.376 -4.498 -0.123 9.88
|
||||
MgCO3 9.329e-06 9.789e-06 -5.030 -5.009 0.021 -17.09
|
||||
CO3-2 6.770e-06 2.069e-06 -5.169 -5.684 -0.515 -3.57
|
||||
NaCO3- 5.569e-06 4.147e-06 -5.254 -5.382 -0.128 0.35
|
||||
CaCO3 4.172e-06 4.378e-06 -5.380 -5.359 0.021 -14.60
|
||||
(CO2)2 7.003e-10 7.347e-10 -9.155 -9.134 0.021 68.87
|
||||
C(-4) 0.000e+00
|
||||
CH4 0.000e+00 0.000e+00 -119.973 -119.952 0.021 35.46
|
||||
C(4) 3.207e-03
|
||||
HCO3- 2.657e-03 1.976e-03 -2.576 -2.704 -0.129 25.45
|
||||
CO2 2.017e-04 2.082e-04 -3.695 -3.682 0.014 34.43
|
||||
MgHCO3+ 1.592e-04 1.139e-04 -3.798 -3.944 -0.146 5.72
|
||||
NaHCO3 1.274e-04 1.422e-04 -3.895 -3.847 0.048 28.00
|
||||
CaHCO3+ 4.217e-05 3.180e-05 -4.375 -4.498 -0.123 9.88
|
||||
MgCO3 8.913e-06 9.351e-06 -5.050 -5.029 0.021 -17.09
|
||||
CO3-2 6.506e-06 1.989e-06 -5.187 -5.701 -0.515 -2.16
|
||||
CaCO3 4.019e-06 4.216e-06 -5.396 -5.375 0.021 -14.60
|
||||
(CO2)2 7.580e-10 7.953e-10 -9.120 -9.099 0.021 68.87
|
||||
Ca 4.350e-03
|
||||
Ca+2 3.966e-03 1.260e-03 -2.402 -2.900 -0.498 -17.20
|
||||
CaSO4 3.381e-04 3.548e-04 -3.471 -3.450 0.021 7.50
|
||||
CaHCO3+ 4.211e-05 3.175e-05 -4.376 -4.498 -0.123 9.88
|
||||
CaCO3 4.172e-06 4.378e-06 -5.380 -5.359 0.021 -14.60
|
||||
CaOH+ 6.232e-09 4.641e-09 -8.205 -8.333 -0.128 (0)
|
||||
CaHSO4+ 1.402e-10 1.044e-10 -9.853 -9.981 -0.128 (0)
|
||||
Ca+2 3.970e-03 1.262e-03 -2.401 -2.899 -0.498 -17.20
|
||||
CaSO4 3.335e-04 3.499e-04 -3.477 -3.456 0.021 7.50
|
||||
CaHCO3+ 4.217e-05 3.180e-05 -4.375 -4.498 -0.123 9.88
|
||||
CaCO3 4.019e-06 4.216e-06 -5.396 -5.375 0.021 -14.60
|
||||
CaOH+ 6.000e-09 4.469e-09 -8.222 -8.350 -0.128 (0)
|
||||
CaHSO4+ 1.439e-10 1.071e-10 -9.842 -9.970 -0.128 (0)
|
||||
Cl 1.697e-01
|
||||
Cl- 1.697e-01 1.209e-01 -0.770 -0.918 -0.147 18.47
|
||||
H(0) 1.494e-14
|
||||
H2 7.472e-15 7.840e-15 -14.127 -14.106 0.021 28.61
|
||||
Cl- 1.697e-01 1.209e-01 -0.770 -0.917 -0.147 18.47
|
||||
HCl 1.582e-09 1.940e-09 -8.801 -8.712 0.089 (0)
|
||||
H(0) 9.199e-39
|
||||
H2 4.600e-39 4.826e-39 -38.337 -38.316 0.021 28.61
|
||||
K 3.173e-03
|
||||
K+ 3.140e-03 2.225e-03 -2.503 -2.653 -0.150 9.35
|
||||
KSO4- 3.330e-05 2.476e-05 -4.478 -4.606 -0.129 34.51
|
||||
K+ 3.152e-03 2.233e-03 -2.501 -2.651 -0.150 9.35
|
||||
KSO4- 2.180e-05 1.280e-05 -4.662 -4.893 -0.231 28.29
|
||||
Mg 1.652e-02
|
||||
Mg+2 1.460e-02 4.958e-03 -1.836 -2.305 -0.469 -20.91
|
||||
MgSO4 1.754e-03 1.841e-03 -2.756 -2.735 0.021 5.84
|
||||
MgHCO3+ 1.603e-04 1.146e-04 -3.795 -3.941 -0.146 5.72
|
||||
MgCO3 9.329e-06 9.789e-06 -5.030 -5.009 0.021 -17.09
|
||||
MgOH+ 5.244e-07 3.997e-07 -6.280 -6.398 -0.118 (0)
|
||||
Mg+2 1.450e-02 4.926e-03 -1.839 -2.307 -0.469 -20.91
|
||||
MgSO4 1.827e-03 2.012e-03 -2.738 -2.696 0.042 -0.83
|
||||
MgHCO3+ 1.592e-04 1.139e-04 -3.798 -3.944 -0.146 5.72
|
||||
Mg(SO4)2-2 2.876e-05 1.033e-05 -4.541 -4.986 -0.445 44.98
|
||||
MgCO3 8.913e-06 9.351e-06 -5.050 -5.029 0.021 -17.09
|
||||
MgOH+ 5.008e-07 3.817e-07 -6.300 -6.418 -0.118 (0)
|
||||
Na 1.456e-01
|
||||
Na+ 1.444e-01 1.077e-01 -0.841 -0.968 -0.127 -0.92
|
||||
NaSO4- 1.149e-03 8.545e-04 -2.940 -3.068 -0.129 17.65
|
||||
NaHCO3 1.140e-04 1.196e-04 -3.943 -3.922 0.021 1.80
|
||||
NaCO3- 5.569e-06 4.147e-06 -5.254 -5.382 -0.128 0.35
|
||||
NaOH 2.305e-18 2.419e-18 -17.637 -17.616 0.021 (0)
|
||||
O(0) 0.000e+00
|
||||
O2 0.000e+00 0.000e+00 -64.195 -64.174 0.021 30.40
|
||||
S(-2) 8.755e-21
|
||||
HS- 6.935e-21 4.878e-21 -20.159 -20.312 -0.153 21.00
|
||||
H2S 1.820e-21 1.910e-21 -20.740 -20.719 0.021 37.16
|
||||
S-2 4.484e-26 1.316e-26 -25.348 -25.881 -0.533 (0)
|
||||
NaSO4- 1.121e-03 6.560e-04 -2.950 -3.183 -0.233 17.35
|
||||
NaHCO3 1.274e-04 1.422e-04 -3.895 -3.847 0.048 28.00
|
||||
NaOH 2.217e-18 2.326e-18 -17.654 -17.633 0.021 (0)
|
||||
O(0) 3.372e-16
|
||||
O2 1.686e-16 1.769e-16 -15.773 -15.752 0.021 30.40
|
||||
S(-2) 0.000e+00
|
||||
HS- 0.000e+00 0.000e+00 -116.991 -117.144 -0.153 21.00
|
||||
H2S 0.000e+00 0.000e+00 -117.555 -117.534 0.021 36.27
|
||||
S-2 0.000e+00 0.000e+00 -122.198 -122.730 -0.532 (0)
|
||||
(H2S)2 0.000e+00 0.000e+00 -236.368 -236.347 0.021 30.09
|
||||
S(6) 8.777e-03
|
||||
SO4-2 5.502e-03 1.584e-03 -2.259 -2.800 -0.541 16.12
|
||||
MgSO4 1.754e-03 1.841e-03 -2.756 -2.735 0.021 5.84
|
||||
NaSO4- 1.149e-03 8.545e-04 -2.940 -3.068 -0.129 17.65
|
||||
CaSO4 3.381e-04 3.548e-04 -3.471 -3.450 0.021 7.50
|
||||
KSO4- 3.330e-05 2.476e-05 -4.478 -4.606 -0.129 34.51
|
||||
HSO4- 9.259e-09 6.895e-09 -8.033 -8.161 -0.128 40.66
|
||||
CaHSO4+ 1.402e-10 1.044e-10 -9.853 -9.981 -0.128 (0)
|
||||
SO4-2 5.416e-03 1.560e-03 -2.266 -2.807 -0.541 16.39
|
||||
MgSO4 1.827e-03 2.012e-03 -2.738 -2.696 0.042 -0.83
|
||||
NaSO4- 1.121e-03 6.560e-04 -2.950 -3.183 -0.233 17.35
|
||||
CaSO4 3.335e-04 3.499e-04 -3.477 -3.456 0.021 7.50
|
||||
Mg(SO4)2-2 2.876e-05 1.033e-05 -4.541 -4.986 -0.445 44.98
|
||||
KSO4- 2.180e-05 1.280e-05 -4.662 -4.893 -0.231 28.29
|
||||
HSO4- 9.484e-09 7.063e-09 -8.023 -8.151 -0.128 40.66
|
||||
CaHSO4+ 1.439e-10 1.071e-10 -9.842 -9.970 -0.128 (0)
|
||||
Si 2.215e-05
|
||||
H4SiO4 2.204e-05 2.313e-05 -4.657 -4.636 0.021 52.08
|
||||
H3SiO4- 1.065e-07 7.615e-08 -6.973 -7.118 -0.146 28.38
|
||||
H2SiO4-2 3.785e-13 1.157e-13 -12.422 -12.937 -0.515 (0)
|
||||
H4SiO4 2.205e-05 2.313e-05 -4.657 -4.636 0.021 52.08
|
||||
H3SiO4- 1.024e-07 7.322e-08 -6.990 -7.135 -0.146 28.37
|
||||
H2SiO4-2 3.497e-13 1.069e-13 -12.456 -12.971 -0.515 (0)
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
|
||||
Phase SI** log IAP log K(298 K, 1 atm)
|
||||
|
||||
Anhydrite -1.42 -5.70 -4.28 CaSO4
|
||||
Aragonite -0.25 -8.58 -8.34 CaCO3
|
||||
Calcite -0.10 -8.58 -8.48 CaCO3
|
||||
CH4(g) -20.32 -23.13 -2.80 CH4
|
||||
Anhydrite -1.43 -5.71 -4.28 CaSO4
|
||||
Aragonite -0.26 -8.60 -8.34 CaCO3
|
||||
Arcanite -6.23 -8.11 -1.88 K2SO4
|
||||
Calcite -0.12 -8.60 -8.48 CaCO3
|
||||
CH4(g) -117.15 -119.95 -2.80 CH4
|
||||
Chalcedony -1.08 -4.63 -3.55 SiO2
|
||||
Chrysotile -4.30 27.91 32.20 Mg3Si2O5(OH)4
|
||||
CO2(g) -2.23 -3.70 -1.47 CO2
|
||||
Dolomite 0.52 -16.57 -17.09 CaMg(CO3)2
|
||||
Gypsum -1.12 -5.71 -4.58 CaSO4:2H2O
|
||||
H2(g) -11.00 -14.11 -3.10 H2
|
||||
Chrysotile -4.41 27.79 32.20 Mg3Si2O5(OH)4
|
||||
CO2(g) -2.21 -3.68 -1.47 CO2
|
||||
Dolomite 0.47 -16.61 -17.08 CaMg(CO3)2
|
||||
Epsomite -3.39 -5.13 -1.74 MgSO4:7H2O
|
||||
Gypsum -1.13 -5.71 -4.58 CaSO4:2H2O
|
||||
H2(g) -35.22 -38.32 -3.10 H2
|
||||
H2O(g) -1.51 -0.00 1.50 H2O
|
||||
H2S(g) -19.67 -27.66 -7.99 H2S
|
||||
H2S(g) -116.54 -124.48 -7.94 H2S
|
||||
Halite -3.46 -1.89 1.57 NaCl
|
||||
O2(g) -61.28 -64.17 -2.89 O2
|
||||
Hexahydrite -3.56 -5.13 -1.57 MgSO4:6H2O
|
||||
Kieserite -3.96 -5.12 -1.16 MgSO4:H2O
|
||||
Mirabilite -3.53 -4.77 -1.24 Na2SO4:10H2O
|
||||
O2(g) -12.86 -15.75 -2.89 O2
|
||||
Quartz -0.65 -4.63 -3.98 SiO2
|
||||
Sepiolite -4.88 10.88 15.76 Mg2Si3O7.5OH:3H2O
|
||||
Sepiolite(d) -7.78 10.88 18.66 Mg2Si3O7.5OH:3H2O
|
||||
Sepiolite -4.95 10.81 15.76 Mg2Si3O7.5OH:3H2O
|
||||
Sepiolite(d) -7.85 10.81 18.66 Mg2Si3O7.5OH:3H2O
|
||||
SiO2(a) -1.92 -4.63 -2.71 SiO2
|
||||
Sulfur -14.65 -9.76 4.88 S
|
||||
Sulfur -87.25 -82.37 4.88 S
|
||||
Sylvite -4.47 -3.57 0.90 KCl
|
||||
Talc -2.75 18.65 21.40 Mg3Si4O10(OH)2
|
||||
Talc -2.86 18.54 21.40 Mg3Si4O10(OH)2
|
||||
Thenardite -4.44 -4.74 -0.30 Na2SO4
|
||||
|
||||
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
||||
For ideal gases, phi = 1.
|
||||
@ -523,106 +540,109 @@ Using pure phase assemblage 1.
|
||||
Moles in assemblage
|
||||
Phase SI log IAP log K(T, P) Initial Final Delta
|
||||
|
||||
Calcite 0.00 -8.48 -8.48 1.000e+01 9.984e+00 -1.561e-02
|
||||
Dolomite 0.00 -17.09 -17.09 1.000e+01 1.001e+01 7.884e-03
|
||||
Calcite 0.00 -8.48 -8.48 1.000e+01 9.985e+00 -1.538e-02
|
||||
Dolomite 0.00 -17.08 -17.08 1.000e+01 1.001e+01 7.764e-03
|
||||
|
||||
-----------------------------Solution composition------------------------------
|
||||
|
||||
Elements Molality Moles
|
||||
|
||||
C 3.029e-03 3.029e-03
|
||||
Ca 1.207e-02 1.207e-02
|
||||
C 3.056e-03 3.056e-03
|
||||
Ca 1.196e-02 1.196e-02
|
||||
Cl 1.697e-01 1.697e-01
|
||||
K 3.173e-03 3.173e-03
|
||||
Mg 8.636e-03 8.636e-03
|
||||
Mg 8.756e-03 8.756e-03
|
||||
Na 1.456e-01 1.456e-01
|
||||
S 8.777e-03 8.777e-03
|
||||
Si 2.215e-05 2.215e-05
|
||||
|
||||
----------------------------Description of solution----------------------------
|
||||
|
||||
pH = 7.055 Charge balance
|
||||
pe = -1.748 Adjusted to redox equilibrium
|
||||
Specific Conductance (µS/cm, 25°C) = 18465
|
||||
Density (g/cm³) = 1.00533
|
||||
pH = 7.057 Charge balance
|
||||
pe = 10.649 Adjusted to redox equilibrium
|
||||
Specific Conductance (µS/cm, 25°C) = 18495
|
||||
Density (g/cm³) = 1.00533
|
||||
Volume (L) = 1.00583
|
||||
Viscosity (mPa s) = 0.91039
|
||||
Activity of water = 0.994
|
||||
Ionic strength (mol/kgw) = 2.091e-01
|
||||
Ionic strength (mol/kgw) = 2.089e-01
|
||||
Mass of water (kg) = 1.000e+00
|
||||
Total alkalinity (eq/kg) = 2.705e-03
|
||||
Total CO2 (mol/kg) = 3.029e-03
|
||||
Temperature (°C) = 25.00
|
||||
Total alkalinity (eq/kg) = 2.723e-03
|
||||
Total CO2 (mol/kg) = 3.056e-03
|
||||
Temperature (°C) = 25.00
|
||||
Electrical balance (eq) = 2.390e-04
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.06
|
||||
Iterations = 5
|
||||
Total H = 1.110131e+02
|
||||
Total O = 5.554912e+01
|
||||
Total O = 5.554920e+01
|
||||
|
||||
----------------------------Distribution of species----------------------------
|
||||
|
||||
Log Log Log mole V
|
||||
Species Molality Activity Molality Activity Gamma cm³/mol
|
||||
Species Molality Activity Molality Activity Gamma cm³/mol
|
||||
|
||||
OH- 1.625e-07 1.143e-07 -6.789 -6.942 -0.153 -3.48
|
||||
H+ 1.106e-07 8.804e-08 -6.956 -7.055 -0.099 0.00
|
||||
OH- 1.631e-07 1.147e-07 -6.788 -6.940 -0.153 -3.48
|
||||
H+ 1.102e-07 8.770e-08 -6.958 -7.057 -0.099 0.00
|
||||
H2O 5.551e+01 9.941e-01 1.744 -0.003 0.000 18.07
|
||||
C(-4) 2.937e-22
|
||||
CH4 2.937e-22 3.082e-22 -21.532 -21.511 0.021 35.46
|
||||
C(4) 3.029e-03
|
||||
HCO3- 2.395e-03 1.780e-03 -2.621 -2.749 -0.129 25.56
|
||||
CO2 3.379e-04 3.545e-04 -3.471 -3.450 0.021 34.43
|
||||
CaHCO3+ 1.052e-04 7.934e-05 -3.978 -4.101 -0.123 9.88
|
||||
NaHCO3 1.027e-04 1.078e-04 -3.988 -3.968 0.021 1.80
|
||||
MgHCO3+ 7.538e-05 5.390e-05 -4.123 -4.268 -0.146 5.72
|
||||
CaCO3 5.303e-06 5.565e-06 -5.275 -5.255 0.021 -14.60
|
||||
CO3-2 3.105e-06 9.484e-07 -5.508 -6.023 -0.515 -3.57
|
||||
NaCO3- 2.553e-06 1.901e-06 -5.593 -5.721 -0.128 0.35
|
||||
MgCO3 2.231e-06 2.341e-06 -5.651 -5.631 0.021 -17.09
|
||||
(CO2)2 2.198e-09 2.307e-09 -8.658 -8.637 0.021 68.87
|
||||
Ca 1.207e-02
|
||||
Ca+2 1.100e-02 3.493e-03 -1.959 -2.457 -0.498 -17.19
|
||||
CaSO4 9.634e-04 1.011e-03 -3.016 -2.995 0.021 7.50
|
||||
CaHCO3+ 1.052e-04 7.934e-05 -3.978 -4.101 -0.123 9.88
|
||||
CaCO3 5.303e-06 5.565e-06 -5.275 -5.255 0.021 -14.60
|
||||
CaOH+ 8.789e-09 6.545e-09 -8.056 -8.184 -0.128 (0)
|
||||
CaHSO4+ 7.856e-10 5.850e-10 -9.105 -9.233 -0.128 (0)
|
||||
C(-4) 0.000e+00
|
||||
CH4 0.000e+00 0.000e+00 -120.722 -120.701 0.021 35.46
|
||||
C(4) 3.056e-03
|
||||
HCO3- 2.405e-03 1.788e-03 -2.619 -2.748 -0.129 25.45
|
||||
CO2 3.436e-04 3.547e-04 -3.464 -3.450 0.014 34.43
|
||||
NaHCO3 1.152e-04 1.287e-04 -3.938 -3.890 0.048 28.00
|
||||
CaHCO3+ 1.048e-04 7.901e-05 -3.980 -4.102 -0.123 9.88
|
||||
MgHCO3+ 7.615e-05 5.445e-05 -4.118 -4.264 -0.146 5.72
|
||||
CaCO3 5.302e-06 5.563e-06 -5.276 -5.255 0.021 -14.60
|
||||
CO3-2 3.130e-06 9.562e-07 -5.505 -6.019 -0.515 -2.15
|
||||
MgCO3 2.263e-06 2.375e-06 -5.645 -5.624 0.021 -17.09
|
||||
(CO2)2 2.201e-09 2.309e-09 -8.657 -8.637 0.021 68.87
|
||||
Ca 1.196e-02
|
||||
Ca+2 1.090e-02 3.463e-03 -1.962 -2.461 -0.498 -17.20
|
||||
CaSO4 9.480e-04 9.947e-04 -3.023 -3.002 0.021 7.50
|
||||
CaHCO3+ 1.048e-04 7.901e-05 -3.980 -4.102 -0.123 9.88
|
||||
CaCO3 5.302e-06 5.563e-06 -5.276 -5.255 0.021 -14.60
|
||||
CaOH+ 8.748e-09 6.515e-09 -8.058 -8.186 -0.128 (0)
|
||||
CaHSO4+ 7.700e-10 5.734e-10 -9.113 -9.242 -0.128 (0)
|
||||
Cl 1.697e-01
|
||||
Cl- 1.697e-01 1.209e-01 -0.770 -0.918 -0.147 18.47
|
||||
H(0) 3.281e-14
|
||||
H2 1.641e-14 1.722e-14 -13.785 -13.764 0.021 28.61
|
||||
HCl 2.976e-09 3.652e-09 -8.526 -8.437 0.089 (0)
|
||||
H(0) 5.232e-39
|
||||
H2 2.616e-39 2.745e-39 -38.582 -38.561 0.021 28.61
|
||||
K 3.173e-03
|
||||
K+ 3.139e-03 2.224e-03 -2.503 -2.653 -0.150 9.35
|
||||
KSO4- 3.421e-05 2.543e-05 -4.466 -4.595 -0.129 34.51
|
||||
Mg 8.636e-03
|
||||
Mg+2 7.618e-03 2.587e-03 -2.118 -2.587 -0.469 -20.91
|
||||
MgSO4 9.408e-04 9.872e-04 -3.027 -3.006 0.021 5.84
|
||||
MgHCO3+ 7.538e-05 5.390e-05 -4.123 -4.268 -0.146 5.72
|
||||
MgCO3 2.231e-06 2.341e-06 -5.651 -5.631 0.021 -17.09
|
||||
MgOH+ 1.392e-07 1.061e-07 -6.856 -6.974 -0.118 (0)
|
||||
K+ 3.151e-03 2.232e-03 -2.502 -2.651 -0.150 9.35
|
||||
KSO4- 2.258e-05 1.325e-05 -4.646 -4.878 -0.231 28.30
|
||||
Mg 8.756e-03
|
||||
Mg+2 7.661e-03 2.602e-03 -2.116 -2.585 -0.469 -20.91
|
||||
MgSO4 9.996e-04 1.101e-03 -3.000 -2.958 0.042 -0.83
|
||||
MgHCO3+ 7.615e-05 5.445e-05 -4.118 -4.264 -0.146 5.72
|
||||
Mg(SO4)2-2 1.631e-05 5.855e-06 -4.788 -5.232 -0.445 44.98
|
||||
MgCO3 2.263e-06 2.375e-06 -5.645 -5.624 0.021 -17.09
|
||||
MgOH+ 1.405e-07 1.071e-07 -6.852 -6.970 -0.118 (0)
|
||||
Na 1.456e-01
|
||||
Na+ 1.443e-01 1.076e-01 -0.841 -0.968 -0.127 -0.92
|
||||
NaSO4- 1.181e-03 8.780e-04 -2.928 -3.056 -0.129 17.65
|
||||
NaHCO3 1.027e-04 1.078e-04 -3.988 -3.968 0.021 1.80
|
||||
NaCO3- 2.553e-06 1.901e-06 -5.593 -5.721 -0.128 0.35
|
||||
NaOH 1.172e-18 1.230e-18 -17.931 -17.910 0.021 (0)
|
||||
O(0) 0.000e+00
|
||||
O2 0.000e+00 0.000e+00 -64.878 -64.857 0.021 30.40
|
||||
S(-2) 4.940e-19
|
||||
HS- 3.259e-19 2.292e-19 -18.487 -18.640 -0.153 21.00
|
||||
H2S 1.681e-19 1.764e-19 -18.774 -18.753 0.021 37.16
|
||||
S-2 1.072e-24 3.145e-25 -23.970 -24.502 -0.533 (0)
|
||||
NaSO4- 1.162e-03 6.792e-04 -2.935 -3.168 -0.233 17.35
|
||||
NaHCO3 1.152e-04 1.287e-04 -3.938 -3.890 0.048 28.00
|
||||
NaOH 1.177e-18 1.235e-18 -17.929 -17.908 0.021 (0)
|
||||
O(0) 1.042e-15
|
||||
O2 5.211e-16 5.468e-16 -15.283 -15.262 0.021 30.40
|
||||
S(-2) 0.000e+00
|
||||
HS- 0.000e+00 0.000e+00 -117.682 -117.834 -0.153 21.00
|
||||
H2S 0.000e+00 0.000e+00 -117.971 -117.950 0.021 36.27
|
||||
S-2 0.000e+00 0.000e+00 -123.163 -123.695 -0.533 (0)
|
||||
(H2S)2 0.000e+00 0.000e+00 -237.199 -237.178 0.021 30.09
|
||||
S(6) 8.777e-03
|
||||
SO4-2 5.658e-03 1.628e-03 -2.247 -2.788 -0.541 16.12
|
||||
NaSO4- 1.181e-03 8.780e-04 -2.928 -3.056 -0.129 17.65
|
||||
CaSO4 9.634e-04 1.011e-03 -3.016 -2.995 0.021 7.50
|
||||
MgSO4 9.408e-04 9.872e-04 -3.027 -3.006 0.021 5.84
|
||||
KSO4- 3.421e-05 2.543e-05 -4.466 -4.595 -0.129 34.51
|
||||
HSO4- 1.871e-08 1.393e-08 -7.728 -7.856 -0.128 40.66
|
||||
CaHSO4+ 7.856e-10 5.850e-10 -9.105 -9.233 -0.128 (0)
|
||||
SO4-2 5.613e-03 1.615e-03 -2.251 -2.792 -0.541 16.39
|
||||
NaSO4- 1.162e-03 6.792e-04 -2.935 -3.168 -0.233 17.35
|
||||
MgSO4 9.996e-04 1.101e-03 -3.000 -2.958 0.042 -0.83
|
||||
CaSO4 9.480e-04 9.947e-04 -3.023 -3.002 0.021 7.50
|
||||
KSO4- 2.258e-05 1.325e-05 -4.646 -4.878 -0.231 28.30
|
||||
Mg(SO4)2-2 1.631e-05 5.855e-06 -4.788 -5.232 -0.445 44.98
|
||||
HSO4- 1.849e-08 1.377e-08 -7.733 -7.861 -0.128 40.66
|
||||
CaHSO4+ 7.700e-10 5.734e-10 -9.113 -9.242 -0.128 (0)
|
||||
Si 2.215e-05
|
||||
H4SiO4 2.209e-05 2.318e-05 -4.656 -4.635 0.021 52.08
|
||||
H3SiO4- 5.430e-08 3.883e-08 -7.265 -7.411 -0.146 28.38
|
||||
H2SiO4-2 9.822e-14 3.000e-14 -13.008 -13.523 -0.515 (0)
|
||||
H3SiO4- 5.450e-08 3.897e-08 -7.264 -7.409 -0.146 28.38
|
||||
H2SiO4-2 9.894e-14 3.023e-14 -13.005 -13.520 -0.515 (0)
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
|
||||
@ -630,25 +650,31 @@ Si 2.215e-05
|
||||
|
||||
Anhydrite -0.97 -5.25 -4.28 CaSO4
|
||||
Aragonite -0.14 -8.48 -8.34 CaCO3
|
||||
Arcanite -6.21 -8.09 -1.88 K2SO4
|
||||
Calcite 0.00 -8.48 -8.48 CaCO3
|
||||
CH4(g) -18.71 -21.51 -2.80 CH4
|
||||
CH4(g) -117.90 -120.70 -2.80 CH4
|
||||
Chalcedony -1.08 -4.63 -3.55 SiO2
|
||||
Chrysotile -6.90 25.30 32.20 Mg3Si2O5(OH)4
|
||||
Chrysotile -6.89 25.32 32.20 Mg3Si2O5(OH)4
|
||||
CO2(g) -1.98 -3.45 -1.47 CO2
|
||||
Dolomite 0.00 -17.09 -17.09 CaMg(CO3)2
|
||||
Gypsum -0.67 -5.25 -4.58 CaSO4:2H2O
|
||||
H2(g) -10.66 -13.76 -3.10 H2
|
||||
Dolomite 0.00 -17.08 -17.08 CaMg(CO3)2
|
||||
Epsomite -3.66 -5.39 -1.74 MgSO4:7H2O
|
||||
Gypsum -0.68 -5.26 -4.58 CaSO4:2H2O
|
||||
H2(g) -35.46 -38.56 -3.10 H2
|
||||
H2O(g) -1.51 -0.00 1.50 H2O
|
||||
H2S(g) -17.70 -25.70 -7.99 H2S
|
||||
H2S(g) -116.96 -124.89 -7.94 H2S
|
||||
Halite -3.46 -1.89 1.57 NaCl
|
||||
O2(g) -61.96 -64.86 -2.89 O2
|
||||
Hexahydrite -3.83 -5.39 -1.57 MgSO4:6H2O
|
||||
Kieserite -4.22 -5.38 -1.16 MgSO4:H2O
|
||||
Mirabilite -3.51 -4.75 -1.24 Na2SO4:10H2O
|
||||
O2(g) -12.37 -15.26 -2.89 O2
|
||||
Quartz -0.65 -4.63 -3.98 SiO2
|
||||
Sepiolite -6.62 9.14 15.76 Mg2Si3O7.5OH:3H2O
|
||||
Sepiolite(d) -9.52 9.14 18.66 Mg2Si3O7.5OH:3H2O
|
||||
Sepiolite -6.60 9.16 15.76 Mg2Si3O7.5OH:3H2O
|
||||
Sepiolite(d) -9.50 9.16 18.66 Mg2Si3O7.5OH:3H2O
|
||||
SiO2(a) -1.92 -4.63 -2.71 SiO2
|
||||
Sulfur -13.02 -8.14 4.88 S
|
||||
Sulfur -87.42 -82.54 4.88 S
|
||||
Sylvite -4.47 -3.57 0.90 KCl
|
||||
Talc -5.36 16.04 21.40 Mg3Si4O10(OH)2
|
||||
Talc -5.34 16.06 21.40 Mg3Si4O10(OH)2
|
||||
Thenardite -4.43 -4.73 -0.30 Na2SO4
|
||||
|
||||
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
||||
For ideal gases, phi = 1.
|
||||
@ -686,14 +712,14 @@ Using pure phase assemblage 2.
|
||||
Moles in assemblage
|
||||
Phase SI log IAP log K(T, P) Initial Final Delta
|
||||
|
||||
Calcite 0.00 -8.48 -8.48 1.000e+01 1.000e+01 -3.968e-05
|
||||
Calcite 0.00 -8.48 -8.48 1.000e+01 1.000e+01 -4.542e-05
|
||||
|
||||
-----------------------------Solution composition------------------------------
|
||||
|
||||
Elements Molality Moles
|
||||
|
||||
C 3.229e-03 3.229e-03
|
||||
Ca 4.390e-03 4.390e-03
|
||||
C 3.252e-03 3.252e-03
|
||||
Ca 4.396e-03 4.395e-03
|
||||
Cl 1.697e-01 1.697e-01
|
||||
K 3.173e-03 3.173e-03
|
||||
Mg 1.652e-02 1.652e-02
|
||||
@ -703,88 +729,91 @@ Calcite 0.00 -8.48 -8.48 1.000e+01 1.000e+01 -3.968e-05
|
||||
|
||||
----------------------------Description of solution----------------------------
|
||||
|
||||
pH = 7.440 Charge balance
|
||||
pe = -2.133 Adjusted to redox equilibrium
|
||||
Specific Conductance (µS/cm, 25°C) = 18387
|
||||
Density (g/cm³) = 1.00525
|
||||
Volume (L) = 1.00580
|
||||
pH = 7.437 Charge balance
|
||||
pe = 10.272 Adjusted to redox equilibrium
|
||||
Specific Conductance (µS/cm, 25°C) = 18414
|
||||
Density (g/cm³) = 1.00526
|
||||
Volume (L) = 1.00579
|
||||
Viscosity (mPa s) = 0.91136
|
||||
Activity of water = 0.994
|
||||
Ionic strength (mol/kgw) = 2.089e-01
|
||||
Ionic strength (mol/kgw) = 2.086e-01
|
||||
Mass of water (kg) = 1.000e+00
|
||||
Total alkalinity (eq/kg) = 3.105e-03
|
||||
Total CO2 (mol/kg) = 3.229e-03
|
||||
Temperature (°C) = 25.00
|
||||
Total alkalinity (eq/kg) = 3.116e-03
|
||||
Total CO2 (mol/kg) = 3.252e-03
|
||||
Temperature (°C) = 25.00
|
||||
Electrical balance (eq) = 2.390e-04
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.06
|
||||
Iterations = 3
|
||||
Total H = 1.110131e+02
|
||||
Total O = 5.554972e+01
|
||||
Total O = 5.554979e+01
|
||||
|
||||
----------------------------Distribution of species----------------------------
|
||||
|
||||
Log Log Log mole V
|
||||
Species Molality Activity Molality Activity Gamma cm³/mol
|
||||
Species Molality Activity Molality Activity Gamma cm³/mol
|
||||
|
||||
OH- 3.940e-07 2.771e-07 -6.405 -6.557 -0.153 -3.48
|
||||
H+ 4.562e-08 3.631e-08 -7.341 -7.440 -0.099 0.00
|
||||
OH- 3.910e-07 2.751e-07 -6.408 -6.561 -0.153 -3.48
|
||||
H+ 4.596e-08 3.658e-08 -7.338 -7.437 -0.099 0.00
|
||||
H2O 5.551e+01 9.941e-01 1.744 -0.003 0.000 18.07
|
||||
C(-4) 1.385e-22
|
||||
CH4 1.385e-22 1.454e-22 -21.858 -21.838 0.021 35.46
|
||||
C(4) 3.229e-03
|
||||
HCO3- 2.715e-03 2.019e-03 -2.566 -2.695 -0.129 25.56
|
||||
MgHCO3+ 1.637e-04 1.171e-04 -3.786 -3.932 -0.146 5.72
|
||||
CO2 1.580e-04 1.658e-04 -3.801 -3.780 0.021 34.43
|
||||
NaHCO3 1.165e-04 1.222e-04 -3.934 -3.913 0.021 1.80
|
||||
CaHCO3+ 4.340e-05 3.272e-05 -4.363 -4.485 -0.123 9.88
|
||||
MgCO3 1.175e-05 1.233e-05 -4.930 -4.909 0.021 -17.09
|
||||
CO3-2 8.533e-06 2.607e-06 -5.069 -5.584 -0.515 -3.57
|
||||
NaCO3- 7.018e-06 5.226e-06 -5.154 -5.282 -0.128 0.35
|
||||
CaCO3 5.304e-06 5.565e-06 -5.275 -5.255 0.021 -14.60
|
||||
(CO2)2 4.808e-10 5.045e-10 -9.318 -9.297 0.021 68.87
|
||||
Ca 4.390e-03
|
||||
Ca+2 4.000e-03 1.271e-03 -2.398 -2.896 -0.498 -17.20
|
||||
CaSO4 3.409e-04 3.577e-04 -3.467 -3.446 0.021 7.50
|
||||
CaHCO3+ 4.340e-05 3.272e-05 -4.363 -4.485 -0.123 9.88
|
||||
CaCO3 5.304e-06 5.565e-06 -5.275 -5.255 0.021 -14.60
|
||||
CaOH+ 7.752e-09 5.773e-09 -8.111 -8.239 -0.128 (0)
|
||||
CaHSO4+ 1.146e-10 8.537e-11 -9.941 -10.069 -0.128 (0)
|
||||
C(-4) 0.000e+00
|
||||
CH4 0.000e+00 0.000e+00 -121.070 -121.050 0.021 35.46
|
||||
C(4) 3.252e-03
|
||||
HCO3- 2.727e-03 2.027e-03 -2.564 -2.693 -0.129 25.45
|
||||
MgHCO3+ 1.633e-04 1.168e-04 -3.787 -3.933 -0.146 5.72
|
||||
CO2 1.625e-04 1.677e-04 -3.789 -3.775 0.014 34.43
|
||||
NaHCO3 1.307e-04 1.460e-04 -3.884 -3.836 0.048 28.00
|
||||
CaHCO3+ 4.370e-05 3.296e-05 -4.359 -4.482 -0.123 9.88
|
||||
MgCO3 1.164e-05 1.221e-05 -4.934 -4.913 0.021 -17.09
|
||||
CO3-2 8.503e-06 2.599e-06 -5.070 -5.585 -0.515 -2.16
|
||||
CaCO3 5.302e-06 5.563e-06 -5.276 -5.255 0.021 -14.60
|
||||
(CO2)2 4.923e-10 5.165e-10 -9.308 -9.287 0.021 68.87
|
||||
Ca 4.396e-03
|
||||
Ca+2 4.010e-03 1.274e-03 -2.397 -2.895 -0.498 -17.20
|
||||
CaSO4 3.367e-04 3.532e-04 -3.473 -3.452 0.021 7.50
|
||||
CaHCO3+ 4.370e-05 3.296e-05 -4.359 -4.482 -0.123 9.88
|
||||
CaCO3 5.302e-06 5.563e-06 -5.276 -5.255 0.021 -14.60
|
||||
CaOH+ 7.715e-09 5.746e-09 -8.113 -8.241 -0.128 (0)
|
||||
CaHSO4+ 1.140e-10 8.493e-11 -9.943 -10.071 -0.128 (0)
|
||||
Cl 1.697e-01
|
||||
Cl- 1.697e-01 1.209e-01 -0.770 -0.918 -0.147 18.47
|
||||
H(0) 3.289e-14
|
||||
H2 1.644e-14 1.725e-14 -13.784 -13.763 0.021 28.61
|
||||
HCl 1.242e-09 1.524e-09 -8.906 -8.817 0.089 (0)
|
||||
H(0) 5.161e-39
|
||||
H2 2.581e-39 2.708e-39 -38.588 -38.567 0.021 28.61
|
||||
K 3.173e-03
|
||||
K+ 3.140e-03 2.225e-03 -2.503 -2.653 -0.150 9.35
|
||||
KSO4- 3.329e-05 2.475e-05 -4.478 -4.606 -0.129 34.51
|
||||
K+ 3.152e-03 2.233e-03 -2.501 -2.651 -0.150 9.35
|
||||
KSO4- 2.179e-05 1.280e-05 -4.662 -4.893 -0.231 28.29
|
||||
Mg 1.652e-02
|
||||
Mg+2 1.459e-02 4.956e-03 -1.836 -2.305 -0.469 -20.91
|
||||
MgSO4 1.753e-03 1.839e-03 -2.756 -2.735 0.021 5.84
|
||||
MgHCO3+ 1.637e-04 1.171e-04 -3.786 -3.932 -0.146 5.72
|
||||
MgCO3 1.175e-05 1.233e-05 -4.930 -4.909 0.021 -17.09
|
||||
MgOH+ 6.464e-07 4.927e-07 -6.189 -6.307 -0.118 (0)
|
||||
Mg+2 1.449e-02 4.924e-03 -1.839 -2.308 -0.469 -20.91
|
||||
MgSO4 1.826e-03 2.010e-03 -2.739 -2.697 0.042 -0.83
|
||||
MgHCO3+ 1.633e-04 1.168e-04 -3.787 -3.933 -0.146 5.72
|
||||
Mg(SO4)2-2 2.873e-05 1.032e-05 -4.542 -4.986 -0.445 44.98
|
||||
MgCO3 1.164e-05 1.221e-05 -4.934 -4.913 0.021 -17.09
|
||||
MgOH+ 6.374e-07 4.858e-07 -6.196 -6.314 -0.118 (0)
|
||||
Na 1.456e-01
|
||||
Na+ 1.444e-01 1.076e-01 -0.841 -0.968 -0.127 -0.92
|
||||
NaSO4- 1.149e-03 8.541e-04 -2.940 -3.068 -0.129 17.65
|
||||
NaHCO3 1.165e-04 1.222e-04 -3.934 -3.913 0.021 1.80
|
||||
NaCO3- 7.018e-06 5.226e-06 -5.154 -5.282 -0.128 0.35
|
||||
NaOH 2.843e-18 2.983e-18 -17.546 -17.525 0.021 (0)
|
||||
O(0) 0.000e+00
|
||||
O2 0.000e+00 0.000e+00 -64.880 -64.859 0.021 30.40
|
||||
S(-2) 1.599e-19
|
||||
HS- 1.319e-19 9.275e-20 -18.880 -19.033 -0.153 21.00
|
||||
H2S 2.806e-20 2.945e-20 -19.552 -19.531 0.021 37.16
|
||||
S-2 1.052e-24 3.085e-25 -23.978 -24.511 -0.533 (0)
|
||||
Na+ 1.444e-01 1.077e-01 -0.841 -0.968 -0.127 -0.92
|
||||
NaSO4- 1.121e-03 6.558e-04 -2.950 -3.183 -0.233 17.35
|
||||
NaHCO3 1.307e-04 1.460e-04 -3.884 -3.836 0.048 28.00
|
||||
NaOH 2.823e-18 2.962e-18 -17.549 -17.528 0.021 (0)
|
||||
O(0) 1.071e-15
|
||||
O2 5.356e-16 5.619e-16 -15.271 -15.250 0.021 30.40
|
||||
S(-2) 0.000e+00
|
||||
HS- 0.000e+00 0.000e+00 -118.101 -118.253 -0.153 21.00
|
||||
H2S 0.000e+00 0.000e+00 -118.769 -118.748 0.021 36.27
|
||||
S-2 0.000e+00 0.000e+00 -123.202 -123.734 -0.532 (0)
|
||||
(H2S)2 0.000e+00 0.000e+00 -238.796 -238.775 0.021 30.09
|
||||
S(6) 8.777e-03
|
||||
SO4-2 5.501e-03 1.583e-03 -2.260 -2.800 -0.541 16.12
|
||||
MgSO4 1.753e-03 1.839e-03 -2.756 -2.735 0.021 5.84
|
||||
NaSO4- 1.149e-03 8.541e-04 -2.940 -3.068 -0.129 17.65
|
||||
CaSO4 3.409e-04 3.577e-04 -3.467 -3.446 0.021 7.50
|
||||
KSO4- 3.329e-05 2.475e-05 -4.478 -4.606 -0.129 34.51
|
||||
HSO4- 7.505e-09 5.589e-09 -8.125 -8.253 -0.128 40.66
|
||||
CaHSO4+ 1.146e-10 8.537e-11 -9.941 -10.069 -0.128 (0)
|
||||
SO4-2 5.415e-03 1.559e-03 -2.266 -2.807 -0.541 16.39
|
||||
MgSO4 1.826e-03 2.010e-03 -2.739 -2.697 0.042 -0.83
|
||||
NaSO4- 1.121e-03 6.558e-04 -2.950 -3.183 -0.233 17.35
|
||||
CaSO4 3.367e-04 3.532e-04 -3.473 -3.452 0.021 7.50
|
||||
Mg(SO4)2-2 2.873e-05 1.032e-05 -4.542 -4.986 -0.445 44.98
|
||||
KSO4- 2.179e-05 1.280e-05 -4.662 -4.893 -0.231 28.29
|
||||
HSO4- 7.445e-09 5.545e-09 -8.128 -8.256 -0.128 40.66
|
||||
CaHSO4+ 1.140e-10 8.493e-11 -9.943 -10.071 -0.128 (0)
|
||||
Si 2.215e-05
|
||||
H4SiO4 2.202e-05 2.310e-05 -4.657 -4.636 0.021 52.08
|
||||
H3SiO4- 1.312e-07 9.381e-08 -6.882 -7.028 -0.146 28.37
|
||||
H2SiO4-2 5.752e-13 1.757e-13 -12.240 -12.755 -0.515 (0)
|
||||
H3SiO4- 1.302e-07 9.311e-08 -6.885 -7.031 -0.146 28.37
|
||||
H2SiO4-2 5.664e-13 1.732e-13 -12.247 -12.762 -0.515 (0)
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
|
||||
@ -792,25 +821,31 @@ Si 2.215e-05
|
||||
|
||||
Anhydrite -1.42 -5.70 -4.28 CaSO4
|
||||
Aragonite -0.14 -8.48 -8.34 CaCO3
|
||||
Arcanite -6.23 -8.11 -1.88 K2SO4
|
||||
Calcite 0.00 -8.48 -8.48 CaCO3
|
||||
CH4(g) -19.04 -21.84 -2.80 CH4
|
||||
CH4(g) -118.25 -121.05 -2.80 CH4
|
||||
Chalcedony -1.08 -4.63 -3.55 SiO2
|
||||
Chrysotile -3.75 28.45 32.20 Mg3Si2O5(OH)4
|
||||
Chrysotile -3.78 28.42 32.20 Mg3Si2O5(OH)4
|
||||
CO2(g) -2.31 -3.78 -1.47 CO2
|
||||
Dolomite 0.72 -16.37 -17.09 CaMg(CO3)2
|
||||
Gypsum -1.12 -5.70 -4.58 CaSO4:2H2O
|
||||
H2(g) -10.66 -13.76 -3.10 H2
|
||||
Dolomite 0.71 -16.37 -17.08 CaMg(CO3)2
|
||||
Epsomite -3.39 -5.13 -1.74 MgSO4:7H2O
|
||||
Gypsum -1.12 -5.71 -4.58 CaSO4:2H2O
|
||||
H2(g) -35.47 -38.57 -3.10 H2
|
||||
H2O(g) -1.51 -0.00 1.50 H2O
|
||||
H2S(g) -18.48 -26.47 -7.99 H2S
|
||||
H2S(g) -117.75 -125.69 -7.94 H2S
|
||||
Halite -3.46 -1.89 1.57 NaCl
|
||||
O2(g) -61.97 -64.86 -2.89 O2
|
||||
Hexahydrite -3.56 -5.13 -1.57 MgSO4:6H2O
|
||||
Kieserite -3.96 -5.12 -1.16 MgSO4:H2O
|
||||
Mirabilite -3.53 -4.77 -1.24 Na2SO4:10H2O
|
||||
O2(g) -12.36 -15.25 -2.89 O2
|
||||
Quartz -0.65 -4.63 -3.98 SiO2
|
||||
Sepiolite -4.52 11.24 15.76 Mg2Si3O7.5OH:3H2O
|
||||
Sepiolite(d) -7.42 11.24 18.66 Mg2Si3O7.5OH:3H2O
|
||||
Sepiolite -4.54 11.22 15.76 Mg2Si3O7.5OH:3H2O
|
||||
Sepiolite(d) -7.44 11.22 18.66 Mg2Si3O7.5OH:3H2O
|
||||
SiO2(a) -1.92 -4.63 -2.71 SiO2
|
||||
Sulfur -13.80 -8.92 4.88 S
|
||||
Sulfur -88.21 -83.33 4.88 S
|
||||
Sylvite -4.47 -3.57 0.90 KCl
|
||||
Talc -2.21 19.19 21.40 Mg3Si4O10(OH)2
|
||||
Talc -2.24 19.16 21.40 Mg3Si4O10(OH)2
|
||||
Thenardite -4.44 -4.74 -0.30 Na2SO4
|
||||
|
||||
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
||||
For ideal gases, phi = 1.
|
||||
@ -823,7 +858,3 @@ End of simulation.
|
||||
Reading input data for simulation 6.
|
||||
------------------------------------
|
||||
|
||||
-------------------------------
|
||||
End of Run after 0.017 Seconds.
|
||||
-------------------------------
|
||||
|
||||
|
||||
@ -68,15 +68,16 @@ Initial solution 1. Precipitation from Central Oklahoma
|
||||
|
||||
pH = 4.500
|
||||
pe = 4.000
|
||||
Specific Conductance (µS/cm, 25°C) = 17
|
||||
Density (g/cm³) = 0.99705
|
||||
Specific Conductance (µS/cm, 25°C) = 17
|
||||
Density (g/cm³) = 0.99705
|
||||
Volume (L) = 1.00297
|
||||
Viscosity (mPa s) = 0.89009
|
||||
Activity of water = 1.000
|
||||
Ionic strength (mol/kgw) = 8.839e-05
|
||||
Mass of water (kg) = 1.000e+00
|
||||
Total alkalinity (eq/kg) = -3.185e-05
|
||||
Total CO2 (mol/kg) = 1.091e-05
|
||||
Temperature (°C) = 25.00
|
||||
Temperature (°C) = 25.00
|
||||
Electrical balance (eq) = 2.581e-05
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 20.29
|
||||
Iterations = 3
|
||||
@ -92,22 +93,21 @@ Initial solution 1. Precipitation from Central Oklahoma
|
||||
----------------------------Distribution of species----------------------------
|
||||
|
||||
Log Log Log mole V
|
||||
Species Molality Activity Molality Activity Gamma cm³/mol
|
||||
Species Molality Activity Molality Activity Gamma cm³/mol
|
||||
|
||||
H+ 3.196e-05 3.162e-05 -4.495 -4.500 -0.005 0.00
|
||||
OH- 3.236e-10 3.201e-10 -9.490 -9.495 -0.005 -4.13
|
||||
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
|
||||
C(4) 1.091e-05
|
||||
CO2 1.076e-05 1.076e-05 -4.968 -4.968 0.000 34.43
|
||||
HCO3- 1.530e-07 1.513e-07 -6.815 -6.820 -0.005 24.66
|
||||
HCO3- 1.530e-07 1.513e-07 -6.815 -6.820 -0.005 24.52
|
||||
CaHCO3+ 1.787e-11 1.767e-11 -10.748 -10.753 -0.005 9.65
|
||||
MgHCO3+ 3.023e-12 2.990e-12 -11.520 -11.524 -0.005 5.46
|
||||
MgHCO3+ 3.022e-12 2.989e-12 -11.520 -11.524 -0.005 5.46
|
||||
(CO2)2 2.125e-12 2.125e-12 -11.673 -11.673 0.000 68.87
|
||||
NaHCO3 5.163e-13 5.163e-13 -12.287 -12.287 0.000 1.80
|
||||
CO3-2 2.344e-13 2.244e-13 -12.630 -12.649 -0.019 -5.36
|
||||
NaHCO3 6.138e-13 6.138e-13 -12.212 -12.212 0.000 28.00
|
||||
CO3-2 2.344e-13 2.244e-13 -12.630 -12.649 -0.019 -4.16
|
||||
CaCO3 3.451e-15 3.451e-15 -14.462 -14.462 0.000 -14.60
|
||||
MgCO3 3.617e-16 3.617e-16 -15.442 -15.442 0.000 -17.09
|
||||
NaCO3- 2.563e-17 2.535e-17 -16.591 -16.596 -0.005 -1.05
|
||||
MgCO3 3.616e-16 3.616e-16 -15.442 -15.442 0.000 -17.09
|
||||
Ca 9.581e-06
|
||||
Ca+2 9.560e-06 9.153e-06 -5.020 -5.038 -0.019 -18.22
|
||||
CaSO4 2.098e-08 2.098e-08 -7.678 -7.678 0.000 7.50
|
||||
@ -117,40 +117,42 @@ Ca 9.581e-06
|
||||
CaCO3 3.451e-15 3.451e-15 -14.462 -14.462 0.000 -14.60
|
||||
Cl 6.657e-06
|
||||
Cl- 6.657e-06 6.584e-06 -5.177 -5.181 -0.005 18.05
|
||||
HCl 7.172e-11 7.173e-11 -10.144 -10.144 0.000 (0)
|
||||
H(0) 1.416e-20
|
||||
H2 7.079e-21 7.079e-21 -20.150 -20.150 0.000 28.61
|
||||
K 9.207e-07
|
||||
K+ 9.206e-07 9.106e-07 -6.036 -6.041 -0.005 8.99
|
||||
KSO4- 8.338e-11 8.248e-11 -10.079 -10.084 -0.005 34.08
|
||||
KSO4- 4.362e-11 4.314e-11 -10.360 -10.365 -0.005 15.81
|
||||
Mg 1.769e-06
|
||||
Mg+2 1.764e-06 1.689e-06 -5.754 -5.772 -0.019 -21.90
|
||||
MgSO4 5.103e-09 5.103e-09 -8.292 -8.292 0.000 5.84
|
||||
MgHCO3+ 3.023e-12 2.990e-12 -11.520 -11.524 -0.005 5.46
|
||||
MgOH+ 1.960e-13 1.939e-13 -12.708 -12.712 -0.005 (0)
|
||||
MgCO3 3.617e-16 3.617e-16 -15.442 -15.442 0.000 -17.09
|
||||
Mg+2 1.763e-06 1.688e-06 -5.754 -5.773 -0.019 -21.90
|
||||
MgSO4 5.697e-09 5.697e-09 -8.244 -8.244 0.000 -0.83
|
||||
MgHCO3+ 3.022e-12 2.989e-12 -11.520 -11.524 -0.005 5.46
|
||||
Mg(SO4)2-2 2.526e-13 2.419e-13 -12.598 -12.616 -0.019 31.70
|
||||
MgOH+ 1.959e-13 1.938e-13 -12.708 -12.713 -0.005 (0)
|
||||
MgCO3 3.616e-16 3.616e-16 -15.442 -15.442 0.000 -17.09
|
||||
N(-3) 1.485e-05
|
||||
NH4+ 1.485e-05 1.469e-05 -4.828 -4.833 -0.005 17.94
|
||||
NH4SO4- 2.465e-09 2.439e-09 -8.608 -8.613 -0.005 37.59
|
||||
NH4SO4- 2.465e-09 2.439e-09 -8.608 -8.613 -0.005 38.17
|
||||
NH3 2.646e-10 2.646e-10 -9.577 -9.577 0.000 24.42
|
||||
N(5) 1.692e-05
|
||||
NO3- 1.692e-05 1.674e-05 -4.772 -4.776 -0.005 29.47
|
||||
Na 6.133e-06
|
||||
Na+ 6.133e-06 6.066e-06 -5.212 -5.217 -0.005 -1.51
|
||||
NaSO4- 3.962e-10 3.919e-10 -9.402 -9.407 -0.005 13.56
|
||||
NaHCO3 5.163e-13 5.163e-13 -12.287 -12.287 0.000 1.80
|
||||
NaCO3- 2.563e-17 2.535e-17 -16.591 -16.596 -0.005 -1.05
|
||||
NaSO4- 3.089e-10 3.055e-10 -9.510 -9.515 -0.005 14.46
|
||||
NaHCO3 6.138e-13 6.138e-13 -12.212 -12.212 0.000 28.00
|
||||
NaOH 1.942e-25 1.942e-25 -24.712 -24.712 0.000 (0)
|
||||
O(0) 0.000e+00
|
||||
O2 0.000e+00 0.000e+00 -52.080 -52.080 0.000 30.40
|
||||
S(6) 1.353e-05
|
||||
SO4-2 1.346e-05 1.289e-05 -4.871 -4.890 -0.019 14.43
|
||||
SO4-2 1.346e-05 1.289e-05 -4.871 -4.890 -0.019 14.70
|
||||
HSO4- 4.007e-08 3.963e-08 -7.397 -7.402 -0.005 40.26
|
||||
CaSO4 2.098e-08 2.098e-08 -7.678 -7.678 0.000 7.50
|
||||
MgSO4 5.103e-09 5.103e-09 -8.292 -8.292 0.000 5.84
|
||||
NH4SO4- 2.465e-09 2.439e-09 -8.608 -8.613 -0.005 37.59
|
||||
NaSO4- 3.962e-10 3.919e-10 -9.402 -9.407 -0.005 13.56
|
||||
KSO4- 8.338e-11 8.248e-11 -10.079 -10.084 -0.005 34.08
|
||||
MgSO4 5.697e-09 5.697e-09 -8.244 -8.244 0.000 -0.83
|
||||
NH4SO4- 2.465e-09 2.439e-09 -8.608 -8.613 -0.005 38.17
|
||||
NaSO4- 3.089e-10 3.055e-10 -9.510 -9.515 -0.005 14.46
|
||||
KSO4- 4.362e-11 4.314e-11 -10.360 -10.365 -0.005 15.81
|
||||
CaHSO4+ 4.409e-12 4.361e-12 -11.356 -11.360 -0.005 (0)
|
||||
Mg(SO4)2-2 2.526e-13 2.419e-13 -12.598 -12.616 -0.019 31.70
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
|
||||
@ -158,16 +160,22 @@ S(6) 1.353e-05
|
||||
|
||||
Anhydrite -5.65 -9.93 -4.28 CaSO4
|
||||
Aragonite -9.35 -17.69 -8.34 CaCO3
|
||||
Arcanite -15.09 -16.97 -1.88 K2SO4
|
||||
Calcite -9.21 -17.69 -8.48 CaCO3
|
||||
CO2(g) -3.50 -4.97 -1.47 CO2 Pressure 0.0 atm, phi 1.000
|
||||
Dolomite -19.02 -36.11 -17.09 CaMg(CO3)2
|
||||
Dolomite -19.02 -36.11 -17.08 CaMg(CO3)2
|
||||
Epsomite -8.92 -10.66 -1.74 MgSO4:7H2O
|
||||
Gypsum -5.35 -9.93 -4.58 CaSO4:2H2O
|
||||
H2(g) -17.05 -20.15 -3.10 H2
|
||||
H2O(g) -1.50 -0.00 1.50 H2O
|
||||
Halite -11.97 -10.40 1.57 NaCl
|
||||
Hexahydrite -9.10 -10.66 -1.57 MgSO4:6H2O
|
||||
Kieserite -9.50 -10.66 -1.16 MgSO4:H2O
|
||||
Mirabilite -14.08 -15.32 -1.24 Na2SO4:10H2O
|
||||
NH3(g) -11.37 -9.58 1.80 NH3
|
||||
O2(g) -49.19 -52.08 -2.89 O2
|
||||
Sylvite -12.12 -11.22 0.90 KCl
|
||||
Thenardite -15.02 -15.32 -0.30 Na2SO4
|
||||
|
||||
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
||||
For ideal gases, phi = 1.
|
||||
@ -212,15 +220,16 @@ Reaction 1.
|
||||
|
||||
pH = 3.148 Charge balance
|
||||
pe = 16.529 Adjusted to redox equilibrium
|
||||
Specific Conductance (µS/cm, 25°C) = 345
|
||||
Density (g/cm³) = 0.99709
|
||||
Specific Conductance (µS/cm, 25°C) = 345
|
||||
Density (g/cm³) = 0.99709
|
||||
Volume (L) = 0.05017
|
||||
Viscosity (mPa s) = 0.89045
|
||||
Activity of water = 1.000
|
||||
Ionic strength (mol/kgw) = 1.531e-03
|
||||
Ionic strength (mol/kgw) = 1.530e-03
|
||||
Mass of water (kg) = 5.002e-02
|
||||
Total alkalinity (eq/kg) = -7.555e-04
|
||||
Total CO2 (mol/kg) = 2.182e-04
|
||||
Temperature (°C) = 25.00
|
||||
Temperature (°C) = 25.00
|
||||
Electrical balance (eq) = 2.581e-05
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 24.28
|
||||
Iterations = 32
|
||||
@ -230,7 +239,7 @@ Reaction 1.
|
||||
----------------------------Distribution of species----------------------------
|
||||
|
||||
Log Log Log mole V
|
||||
Species Molality Activity Molality Activity Gamma cm³/mol
|
||||
Species Molality Activity Molality Activity Gamma cm³/mol
|
||||
|
||||
H+ 7.406e-04 7.107e-04 -3.130 -3.148 -0.018 0.00
|
||||
OH- 1.488e-11 1.424e-11 -10.827 -10.846 -0.019 -4.10
|
||||
@ -239,38 +248,39 @@ C(-4) 0.000e+00
|
||||
CH4 0.000e+00 0.000e+00 -136.694 -136.693 0.000 35.46
|
||||
C(4) 2.182e-04
|
||||
CO2 2.180e-04 2.181e-04 -3.661 -3.661 0.000 34.43
|
||||
HCO3- 1.425e-07 1.365e-07 -6.846 -6.865 -0.019 24.69
|
||||
(CO2)2 8.730e-10 8.733e-10 -9.059 -9.059 0.000 68.87
|
||||
HCO3- 1.425e-07 1.365e-07 -6.846 -6.865 -0.019 24.56
|
||||
(CO2)2 8.728e-10 8.731e-10 -9.059 -9.059 0.000 68.87
|
||||
CaHCO3+ 2.842e-10 2.723e-10 -9.546 -9.565 -0.019 9.68
|
||||
MgHCO3+ 4.776e-11 4.572e-11 -10.321 -10.340 -0.019 5.48
|
||||
NaHCO3 9.001e-12 9.004e-12 -11.046 -11.046 0.000 1.80
|
||||
CO3-2 1.070e-14 9.007e-15 -13.971 -14.045 -0.075 -5.24
|
||||
MgHCO3+ 4.754e-11 4.551e-11 -10.323 -10.342 -0.019 5.48
|
||||
NaHCO3 1.070e-11 1.071e-11 -10.971 -10.970 0.000 28.00
|
||||
CO3-2 1.070e-14 9.007e-15 -13.971 -14.045 -0.075 -4.04
|
||||
CaCO3 2.365e-15 2.366e-15 -14.626 -14.626 0.000 -14.60
|
||||
MgCO3 2.460e-16 2.460e-16 -15.609 -15.609 0.000 -17.09
|
||||
NaCO3- 2.055e-17 1.967e-17 -16.687 -16.706 -0.019 -1.02
|
||||
MgCO3 2.448e-16 2.449e-16 -15.611 -15.611 0.000 -17.09
|
||||
Ca 1.916e-04
|
||||
Ca+2 1.857e-04 1.564e-04 -3.731 -3.806 -0.075 -18.12
|
||||
CaSO4 5.802e-06 5.804e-06 -5.236 -5.236 0.000 7.50
|
||||
CaHSO4+ 2.832e-08 2.711e-08 -7.548 -7.567 -0.019 (0)
|
||||
CaSO4 5.800e-06 5.802e-06 -5.237 -5.236 0.000 7.50
|
||||
CaHSO4+ 2.831e-08 2.710e-08 -7.548 -7.567 -0.019 (0)
|
||||
CaHCO3+ 2.842e-10 2.723e-10 -9.546 -9.565 -0.019 9.68
|
||||
CaOH+ 3.814e-14 3.651e-14 -13.419 -13.438 -0.019 (0)
|
||||
CaCO3 2.365e-15 2.366e-15 -14.626 -14.626 0.000 -14.60
|
||||
Cl 1.331e-04
|
||||
Cl- 1.331e-04 1.274e-04 -3.876 -3.895 -0.019 18.08
|
||||
HCl 3.113e-08 3.118e-08 -7.507 -7.506 0.001 (0)
|
||||
H(0) 0.000e+00
|
||||
H2 0.000e+00 0.000e+00 -42.506 -42.506 0.000 28.61
|
||||
K 1.841e-05
|
||||
K+ 1.838e-05 1.759e-05 -4.736 -4.755 -0.019 9.02
|
||||
KSO4- 2.693e-08 2.580e-08 -7.570 -7.588 -0.019 34.11
|
||||
K+ 1.839e-05 1.760e-05 -4.735 -4.754 -0.019 9.02
|
||||
KSO4- 1.413e-08 1.350e-08 -7.850 -7.870 -0.020 18.61
|
||||
Mg 3.536e-05
|
||||
Mg+2 3.396e-05 2.863e-05 -4.469 -4.543 -0.074 -21.80
|
||||
MgSO4 1.400e-06 1.401e-06 -5.854 -5.854 0.000 5.84
|
||||
MgHCO3+ 4.776e-11 4.572e-11 -10.321 -10.340 -0.019 5.48
|
||||
MgOH+ 1.526e-13 1.462e-13 -12.817 -12.835 -0.018 (0)
|
||||
MgCO3 2.460e-16 2.460e-16 -15.609 -15.609 0.000 -17.09
|
||||
Mg+2 3.380e-05 2.849e-05 -4.471 -4.545 -0.074 -21.80
|
||||
MgSO4 1.556e-06 1.557e-06 -5.808 -5.808 0.000 -0.83
|
||||
Mg(SO4)2-2 1.266e-09 1.070e-09 -8.898 -8.971 -0.073 35.55
|
||||
MgHCO3+ 4.754e-11 4.551e-11 -10.323 -10.342 -0.019 5.48
|
||||
MgOH+ 1.519e-13 1.456e-13 -12.819 -12.837 -0.018 (0)
|
||||
MgCO3 2.448e-16 2.449e-16 -15.611 -15.611 0.000 -17.09
|
||||
N(-3) 0.000e+00
|
||||
NH4+ 0.000e+00 0.000e+00 -48.437 -48.457 -0.019 17.97
|
||||
NH4SO4- 0.000e+00 0.000e+00 -51.008 -51.027 -0.019 37.62
|
||||
NH4SO4- 0.000e+00 0.000e+00 -51.008 -51.027 -0.019 38.20
|
||||
NH3 0.000e+00 0.000e+00 -54.553 -54.553 0.000 24.42
|
||||
N(0) 4.751e-04
|
||||
N2 2.375e-04 2.376e-04 -3.624 -3.624 0.000 29.29
|
||||
@ -280,25 +290,26 @@ N(5) 1.601e-04
|
||||
NO3- 1.601e-04 1.532e-04 -3.796 -3.815 -0.019 29.50
|
||||
Na 1.226e-04
|
||||
Na+ 1.225e-04 1.173e-04 -3.912 -3.931 -0.019 -1.47
|
||||
NaSO4- 1.281e-07 1.227e-07 -6.892 -6.911 -0.019 13.80
|
||||
NaHCO3 9.001e-12 9.004e-12 -11.046 -11.046 0.000 1.80
|
||||
NaCO3- 2.055e-17 1.967e-17 -16.687 -16.706 -0.019 -1.02
|
||||
NaOH 1.670e-25 1.670e-25 -24.777 -24.777 0.000 (0)
|
||||
NaSO4- 1.001e-07 9.563e-08 -6.999 -7.019 -0.020 14.56
|
||||
NaHCO3 1.070e-11 1.071e-11 -10.971 -10.970 0.000 28.00
|
||||
NaOH 1.670e-25 1.671e-25 -24.777 -24.777 0.000 (0)
|
||||
O(0) 8.552e-08
|
||||
O2 4.276e-08 4.277e-08 -7.369 -7.369 0.000 30.40
|
||||
S(-2) 0.000e+00
|
||||
H2S 0.000e+00 0.000e+00 -126.808 -126.808 0.000 37.16
|
||||
H2S 0.000e+00 0.000e+00 -126.808 -126.808 0.000 36.27
|
||||
HS- 0.000e+00 0.000e+00 -130.582 -130.601 -0.019 20.61
|
||||
S-2 0.000e+00 0.000e+00 -140.296 -140.371 -0.075 (0)
|
||||
(H2S)2 0.000e+00 0.000e+00 -254.894 -254.894 0.000 30.09
|
||||
S(6) 2.706e-04
|
||||
SO4-2 2.481e-04 2.087e-04 -3.605 -3.680 -0.075 14.54
|
||||
HSO4- 1.507e-05 1.442e-05 -4.822 -4.841 -0.019 40.28
|
||||
CaSO4 5.802e-06 5.804e-06 -5.236 -5.236 0.000 7.50
|
||||
MgSO4 1.400e-06 1.401e-06 -5.854 -5.854 0.000 5.84
|
||||
NaSO4- 1.281e-07 1.227e-07 -6.892 -6.911 -0.019 13.80
|
||||
CaHSO4+ 2.832e-08 2.711e-08 -7.548 -7.567 -0.019 (0)
|
||||
KSO4- 2.693e-08 2.580e-08 -7.570 -7.588 -0.019 34.11
|
||||
NH4SO4- 0.000e+00 0.000e+00 -51.008 -51.027 -0.019 37.62
|
||||
SO4-2 2.480e-04 2.086e-04 -3.606 -3.681 -0.075 14.82
|
||||
HSO4- 1.506e-05 1.442e-05 -4.822 -4.841 -0.019 40.28
|
||||
CaSO4 5.800e-06 5.802e-06 -5.237 -5.236 0.000 7.50
|
||||
MgSO4 1.556e-06 1.557e-06 -5.808 -5.808 0.000 -0.83
|
||||
NaSO4- 1.001e-07 9.563e-08 -6.999 -7.019 -0.020 14.56
|
||||
CaHSO4+ 2.831e-08 2.710e-08 -7.548 -7.567 -0.019 (0)
|
||||
KSO4- 1.413e-08 1.350e-08 -7.850 -7.870 -0.020 18.61
|
||||
Mg(SO4)2-2 1.266e-09 1.070e-09 -8.898 -8.971 -0.073 35.55
|
||||
NH4SO4- 0.000e+00 0.000e+00 -51.008 -51.027 -0.019 38.20
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
|
||||
@ -306,20 +317,26 @@ S(6) 2.706e-04
|
||||
|
||||
Anhydrite -3.21 -7.49 -4.28 CaSO4
|
||||
Aragonite -9.52 -17.85 -8.34 CaCO3
|
||||
Arcanite -11.31 -13.19 -1.88 K2SO4
|
||||
Calcite -9.37 -17.85 -8.48 CaCO3
|
||||
CH4(g) -133.89 -136.69 -2.80 CH4
|
||||
CO2(g) -2.19 -3.66 -1.47 CO2
|
||||
Dolomite -19.35 -36.44 -17.09 CaMg(CO3)2
|
||||
Dolomite -19.36 -36.44 -17.08 CaMg(CO3)2
|
||||
Epsomite -6.49 -8.23 -1.74 MgSO4:7H2O
|
||||
Gypsum -2.90 -7.49 -4.58 CaSO4:2H2O
|
||||
H2(g) -39.40 -42.51 -3.10 H2
|
||||
H2O(g) -1.50 -0.00 1.50 H2O
|
||||
H2S(g) -125.76 -133.75 -7.99 H2S
|
||||
H2S(g) -125.81 -133.75 -7.94 H2S
|
||||
Halite -9.40 -7.83 1.57 NaCl
|
||||
Hexahydrite -6.66 -8.23 -1.57 MgSO4:6H2O
|
||||
Kieserite -7.06 -8.23 -1.16 MgSO4:H2O
|
||||
Mirabilite -10.30 -11.54 -1.24 Na2SO4:10H2O
|
||||
N2(g) -0.45 -3.62 -3.18 N2
|
||||
NH3(g) -56.35 -54.55 1.80 NH3
|
||||
O2(g) -4.48 -7.37 -2.89 O2
|
||||
Sulfur -92.33 -87.45 4.88 S
|
||||
Sylvite -9.55 -8.65 0.90 KCl
|
||||
Thenardite -11.24 -11.54 -0.30 Na2SO4
|
||||
|
||||
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
||||
For ideal gases, phi = 1.
|
||||
@ -372,15 +389,16 @@ Mixture 1.
|
||||
|
||||
pH = 3.148 Charge balance
|
||||
pe = 16.529 Adjusted to redox equilibrium
|
||||
Specific Conductance (µS/cm, 25°C) = 345
|
||||
Density (g/cm³) = 0.99709
|
||||
Specific Conductance (µS/cm, 25°C) = 345
|
||||
Density (g/cm³) = 0.99709
|
||||
Volume (L) = 1.00332
|
||||
Viscosity (mPa s) = 0.89045
|
||||
Activity of water = 1.000
|
||||
Ionic strength (mol/kgw) = 1.531e-03
|
||||
Ionic strength (mol/kgw) = 1.530e-03
|
||||
Mass of water (kg) = 1.000e+00
|
||||
Total alkalinity (eq/kg) = -7.555e-04
|
||||
Total CO2 (mol/kg) = 2.182e-04
|
||||
Temperature (°C) = 25.00
|
||||
Temperature (°C) = 25.00
|
||||
Electrical balance (eq) = 5.162e-04
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 24.28
|
||||
Iterations = 0
|
||||
@ -390,7 +408,7 @@ Mixture 1.
|
||||
----------------------------Distribution of species----------------------------
|
||||
|
||||
Log Log Log mole V
|
||||
Species Molality Activity Molality Activity Gamma cm³/mol
|
||||
Species Molality Activity Molality Activity Gamma cm³/mol
|
||||
|
||||
H+ 7.406e-04 7.107e-04 -3.130 -3.148 -0.018 0.00
|
||||
OH- 1.488e-11 1.424e-11 -10.827 -10.846 -0.019 -4.10
|
||||
@ -399,38 +417,39 @@ C(-4) 0.000e+00
|
||||
CH4 0.000e+00 0.000e+00 -136.694 -136.693 0.000 35.46
|
||||
C(4) 2.182e-04
|
||||
CO2 2.180e-04 2.181e-04 -3.661 -3.661 0.000 34.43
|
||||
HCO3- 1.425e-07 1.365e-07 -6.846 -6.865 -0.019 24.69
|
||||
(CO2)2 8.730e-10 8.733e-10 -9.059 -9.059 0.000 68.87
|
||||
HCO3- 1.425e-07 1.365e-07 -6.846 -6.865 -0.019 24.56
|
||||
(CO2)2 8.728e-10 8.731e-10 -9.059 -9.059 0.000 68.87
|
||||
CaHCO3+ 2.842e-10 2.723e-10 -9.546 -9.565 -0.019 9.68
|
||||
MgHCO3+ 4.776e-11 4.572e-11 -10.321 -10.340 -0.019 5.48
|
||||
NaHCO3 9.001e-12 9.004e-12 -11.046 -11.046 0.000 1.80
|
||||
CO3-2 1.070e-14 9.007e-15 -13.971 -14.045 -0.075 -5.24
|
||||
MgHCO3+ 4.754e-11 4.551e-11 -10.323 -10.342 -0.019 5.48
|
||||
NaHCO3 1.070e-11 1.071e-11 -10.971 -10.970 0.000 28.00
|
||||
CO3-2 1.070e-14 9.007e-15 -13.971 -14.045 -0.075 -4.04
|
||||
CaCO3 2.365e-15 2.366e-15 -14.626 -14.626 0.000 -14.60
|
||||
MgCO3 2.460e-16 2.460e-16 -15.609 -15.609 0.000 -17.09
|
||||
NaCO3- 2.055e-17 1.967e-17 -16.687 -16.706 -0.019 -1.02
|
||||
MgCO3 2.448e-16 2.449e-16 -15.611 -15.611 0.000 -17.09
|
||||
Ca 1.916e-04
|
||||
Ca+2 1.857e-04 1.564e-04 -3.731 -3.806 -0.075 -18.12
|
||||
CaSO4 5.802e-06 5.804e-06 -5.236 -5.236 0.000 7.50
|
||||
CaHSO4+ 2.832e-08 2.711e-08 -7.548 -7.567 -0.019 (0)
|
||||
CaSO4 5.800e-06 5.802e-06 -5.237 -5.236 0.000 7.50
|
||||
CaHSO4+ 2.831e-08 2.710e-08 -7.548 -7.567 -0.019 (0)
|
||||
CaHCO3+ 2.842e-10 2.723e-10 -9.546 -9.565 -0.019 9.68
|
||||
CaOH+ 3.814e-14 3.651e-14 -13.419 -13.438 -0.019 (0)
|
||||
CaCO3 2.365e-15 2.366e-15 -14.626 -14.626 0.000 -14.60
|
||||
Cl 1.331e-04
|
||||
Cl- 1.331e-04 1.274e-04 -3.876 -3.895 -0.019 18.08
|
||||
HCl 3.113e-08 3.118e-08 -7.507 -7.506 0.001 (0)
|
||||
H(0) 0.000e+00
|
||||
H2 0.000e+00 0.000e+00 -42.506 -42.506 0.000 28.61
|
||||
K 1.841e-05
|
||||
K+ 1.838e-05 1.759e-05 -4.736 -4.755 -0.019 9.02
|
||||
KSO4- 2.693e-08 2.580e-08 -7.570 -7.588 -0.019 34.11
|
||||
K+ 1.839e-05 1.760e-05 -4.735 -4.754 -0.019 9.02
|
||||
KSO4- 1.413e-08 1.350e-08 -7.850 -7.870 -0.020 18.61
|
||||
Mg 3.536e-05
|
||||
Mg+2 3.396e-05 2.863e-05 -4.469 -4.543 -0.074 -21.80
|
||||
MgSO4 1.400e-06 1.401e-06 -5.854 -5.854 0.000 5.84
|
||||
MgHCO3+ 4.776e-11 4.572e-11 -10.321 -10.340 -0.019 5.48
|
||||
MgOH+ 1.526e-13 1.462e-13 -12.817 -12.835 -0.018 (0)
|
||||
MgCO3 2.460e-16 2.460e-16 -15.609 -15.609 0.000 -17.09
|
||||
Mg+2 3.380e-05 2.849e-05 -4.471 -4.545 -0.074 -21.80
|
||||
MgSO4 1.556e-06 1.557e-06 -5.808 -5.808 0.000 -0.83
|
||||
Mg(SO4)2-2 1.266e-09 1.070e-09 -8.898 -8.971 -0.073 35.55
|
||||
MgHCO3+ 4.754e-11 4.551e-11 -10.323 -10.342 -0.019 5.48
|
||||
MgOH+ 1.519e-13 1.456e-13 -12.819 -12.837 -0.018 (0)
|
||||
MgCO3 2.448e-16 2.449e-16 -15.611 -15.611 0.000 -17.09
|
||||
N(-3) 0.000e+00
|
||||
NH4+ 0.000e+00 0.000e+00 -48.437 -48.457 -0.019 17.97
|
||||
NH4SO4- 0.000e+00 0.000e+00 -51.008 -51.027 -0.019 37.62
|
||||
NH4SO4- 0.000e+00 0.000e+00 -51.008 -51.027 -0.019 38.20
|
||||
NH3 0.000e+00 0.000e+00 -54.553 -54.553 0.000 24.42
|
||||
N(0) 4.751e-04
|
||||
N2 2.375e-04 2.376e-04 -3.624 -3.624 0.000 29.29
|
||||
@ -440,25 +459,26 @@ N(5) 1.601e-04
|
||||
NO3- 1.601e-04 1.532e-04 -3.796 -3.815 -0.019 29.50
|
||||
Na 1.226e-04
|
||||
Na+ 1.225e-04 1.173e-04 -3.912 -3.931 -0.019 -1.47
|
||||
NaSO4- 1.281e-07 1.227e-07 -6.892 -6.911 -0.019 13.80
|
||||
NaHCO3 9.001e-12 9.004e-12 -11.046 -11.046 0.000 1.80
|
||||
NaCO3- 2.055e-17 1.967e-17 -16.687 -16.706 -0.019 -1.02
|
||||
NaOH 1.670e-25 1.670e-25 -24.777 -24.777 0.000 (0)
|
||||
NaSO4- 1.001e-07 9.563e-08 -6.999 -7.019 -0.020 14.56
|
||||
NaHCO3 1.070e-11 1.071e-11 -10.971 -10.970 0.000 28.00
|
||||
NaOH 1.670e-25 1.671e-25 -24.777 -24.777 0.000 (0)
|
||||
O(0) 8.552e-08
|
||||
O2 4.276e-08 4.277e-08 -7.369 -7.369 0.000 30.40
|
||||
S(-2) 0.000e+00
|
||||
H2S 0.000e+00 0.000e+00 -126.808 -126.808 0.000 37.16
|
||||
H2S 0.000e+00 0.000e+00 -126.808 -126.808 0.000 36.27
|
||||
HS- 0.000e+00 0.000e+00 -130.582 -130.601 -0.019 20.61
|
||||
S-2 0.000e+00 0.000e+00 -140.296 -140.371 -0.075 (0)
|
||||
(H2S)2 0.000e+00 0.000e+00 -254.894 -254.894 0.000 30.09
|
||||
S(6) 2.706e-04
|
||||
SO4-2 2.481e-04 2.087e-04 -3.605 -3.680 -0.075 14.54
|
||||
HSO4- 1.507e-05 1.442e-05 -4.822 -4.841 -0.019 40.28
|
||||
CaSO4 5.802e-06 5.804e-06 -5.236 -5.236 0.000 7.50
|
||||
MgSO4 1.400e-06 1.401e-06 -5.854 -5.854 0.000 5.84
|
||||
NaSO4- 1.281e-07 1.227e-07 -6.892 -6.911 -0.019 13.80
|
||||
CaHSO4+ 2.832e-08 2.711e-08 -7.548 -7.567 -0.019 (0)
|
||||
KSO4- 2.693e-08 2.580e-08 -7.570 -7.588 -0.019 34.11
|
||||
NH4SO4- 0.000e+00 0.000e+00 -51.008 -51.027 -0.019 37.62
|
||||
SO4-2 2.480e-04 2.086e-04 -3.606 -3.681 -0.075 14.82
|
||||
HSO4- 1.506e-05 1.442e-05 -4.822 -4.841 -0.019 40.28
|
||||
CaSO4 5.800e-06 5.802e-06 -5.237 -5.236 0.000 7.50
|
||||
MgSO4 1.556e-06 1.557e-06 -5.808 -5.808 0.000 -0.83
|
||||
NaSO4- 1.001e-07 9.563e-08 -6.999 -7.019 -0.020 14.56
|
||||
CaHSO4+ 2.831e-08 2.710e-08 -7.548 -7.567 -0.019 (0)
|
||||
KSO4- 1.413e-08 1.350e-08 -7.850 -7.870 -0.020 18.61
|
||||
Mg(SO4)2-2 1.266e-09 1.070e-09 -8.898 -8.971 -0.073 35.55
|
||||
NH4SO4- 0.000e+00 0.000e+00 -51.008 -51.027 -0.019 38.20
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
|
||||
@ -466,20 +486,26 @@ S(6) 2.706e-04
|
||||
|
||||
Anhydrite -3.21 -7.49 -4.28 CaSO4
|
||||
Aragonite -9.52 -17.85 -8.34 CaCO3
|
||||
Arcanite -11.31 -13.19 -1.88 K2SO4
|
||||
Calcite -9.37 -17.85 -8.48 CaCO3
|
||||
CH4(g) -133.89 -136.69 -2.80 CH4
|
||||
CO2(g) -2.19 -3.66 -1.47 CO2
|
||||
Dolomite -19.35 -36.44 -17.09 CaMg(CO3)2
|
||||
Dolomite -19.36 -36.44 -17.08 CaMg(CO3)2
|
||||
Epsomite -6.49 -8.23 -1.74 MgSO4:7H2O
|
||||
Gypsum -2.90 -7.49 -4.58 CaSO4:2H2O
|
||||
H2(g) -39.40 -42.51 -3.10 H2
|
||||
H2O(g) -1.50 -0.00 1.50 H2O
|
||||
H2S(g) -125.76 -133.75 -7.99 H2S
|
||||
H2S(g) -125.81 -133.75 -7.94 H2S
|
||||
Halite -9.40 -7.83 1.57 NaCl
|
||||
Hexahydrite -6.66 -8.23 -1.57 MgSO4:6H2O
|
||||
Kieserite -7.06 -8.23 -1.16 MgSO4:H2O
|
||||
Mirabilite -10.30 -11.54 -1.24 Na2SO4:10H2O
|
||||
N2(g) -0.45 -3.62 -3.18 N2
|
||||
NH3(g) -56.35 -54.55 1.80 NH3
|
||||
O2(g) -4.48 -7.37 -2.89 O2
|
||||
Sulfur -92.33 -87.45 4.88 S
|
||||
Sylvite -9.55 -8.65 0.90 KCl
|
||||
Thenardite -11.24 -11.54 -0.30 Na2SO4
|
||||
|
||||
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
||||
For ideal gases, phi = 1.
|
||||
@ -492,7 +518,3 @@ End of simulation.
|
||||
Reading input data for simulation 3.
|
||||
------------------------------------
|
||||
|
||||
-------------------------------
|
||||
End of Run after 0.015 Seconds.
|
||||
-------------------------------
|
||||
|
||||
|
||||
File diff suppressed because it is too large
Load Diff
@ -1,8 +1,8 @@
|
||||
sim state soln dist_x time step pH pe Cl pyrite d_pyrite goethite d_goethite calcite d_calcite CO2(g) d_CO2(g) gypsum d_gypsum si_Gypsum
|
||||
1 i_soln 1 -99 -99 -99 7 4 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 -999.9990
|
||||
1 react 1 -99 0 1 8.27921 -4.94286 0.0000e+00 1.0000e+01 -3.1438e-08 1.0000e+01 1.0965e-08 9.9995e+00 -4.9338e-04 9.9995e+00 -4.8692e-04 0.0000e+00 0.0000e+00 -6.1255
|
||||
1 react 1 -99 0 2 8.17031 -4.28563 5.0000e-04 9.9997e+00 -2.6667e-04 1.0000e+01 2.6666e-04 9.9991e+00 -9.2691e-04 1.0000e+01 1.4255e-04 0.0000e+00 0.0000e+00 -2.0131
|
||||
1 react 1 -99 0 3 7.97957 -3.96643 2.5000e-03 9.9987e+00 -1.3333e-03 1.0001e+01 1.3333e-03 9.9971e+00 -2.9360e-03 1.0002e+01 2.3965e-03 0.0000e+00 0.0000e+00 -1.0500
|
||||
1 react 1 -99 0 4 7.8808 -3.81211 5.0001e-03 9.9973e+00 -2.6667e-03 1.0003e+01 2.6666e-03 9.9944e+00 -5.5579e-03 1.0005e+01 5.1069e-03 0.0000e+00 0.0000e+00 -0.6338
|
||||
1 react 1 -99 0 5 7.72516 -3.57332 1.5001e-02 9.9920e+00 -8.0000e-03 1.0008e+01 7.9999e-03 9.9838e+00 -1.6174e-02 1.0016e+01 1.5823e-02 0.0000e+00 0.0000e+00 -0.0118
|
||||
1 react 1 -99 0 6 7.71974 -3.5662 2.5012e-02 9.9867e+00 -1.3333e-02 1.0013e+01 1.3333e-02 9.9732e+00 -2.6842e-02 1.0026e+01 2.6489e-02 9.5906e-03 9.5906e-03 0.0000
|
||||
1 react 1 -99 0 1 8.27917 -4.94281 0.0000e+00 1.0000e+01 -3.1435e-08 1.0000e+01 1.0959e-08 9.9995e+00 -4.9333e-04 9.9995e+00 -4.8687e-04 0.0000e+00 0.0000e+00 -6.1255
|
||||
1 react 1 -99 0 2 8.17027 -4.28555 5.0000e-04 9.9997e+00 -2.6667e-04 1.0000e+01 2.6666e-04 9.9991e+00 -9.2684e-04 1.0000e+01 1.4257e-04 0.0000e+00 0.0000e+00 -2.0130
|
||||
1 react 1 -99 0 3 7.97956 -3.96634 2.5000e-03 9.9987e+00 -1.3333e-03 1.0001e+01 1.3333e-03 9.9971e+00 -2.9359e-03 1.0002e+01 2.3964e-03 0.0000e+00 0.0000e+00 -1.0495
|
||||
1 react 1 -99 0 4 7.88084 -3.81205 5.0001e-03 9.9973e+00 -2.6667e-03 1.0003e+01 2.6666e-03 9.9944e+00 -5.5578e-03 1.0005e+01 5.1067e-03 0.0000e+00 0.0000e+00 -0.6331
|
||||
1 react 1 -99 0 5 7.72534 -3.57335 1.5001e-02 9.9920e+00 -8.0000e-03 1.0008e+01 7.9999e-03 9.9838e+00 -1.6174e-02 1.0016e+01 1.5823e-02 0.0000e+00 0.0000e+00 -0.0108
|
||||
1 react 1 -99 0 6 7.72035 -3.56679 2.5012e-02 9.9867e+00 -1.3333e-02 1.0013e+01 1.3333e-02 9.9732e+00 -2.6842e-02 1.0026e+01 2.6488e-02 9.6305e-03 9.6305e-03 0.0000
|
||||
|
||||
File diff suppressed because it is too large
Load Diff
@ -1,22 +1,22 @@
|
||||
sim state soln dist_x time step pH pe la_K+ la_H+ la_H4SiO4 Gibbsite d_Gibbsite Kaolinite d_Kaolinite K-mica d_K-mica K-feldspar d_K-feldspar si_Gibbsite si_Kaolinite si_K-mica si_K-feldspar
|
||||
1 i_soln 1 -99 -99 -99 6.99738 4 -1.0000e+03 -6.9974e+00 -1.0000e+03 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 -999.9990 -999.9990 -999.9990 -999.9990
|
||||
2 react 1 -99 0 1 7.00369 10.3679 -7.5756e+00 -7.0037e+00 -7.0990e+00 1.0000e+01 -2.6579e-08 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 -0.0000 -3.8080 -10.6919 -14.6949
|
||||
3 react 1 -99 0 1 8.20884 9.16277 -5.6626e+00 -8.2088e+00 -5.1950e+00 1.7849e-06 1.7849e-06 1.0000e+01 -2.1784e-06 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000 0.0000 -1.8618 -5.8648
|
||||
4 react 1 -99 0 1 9.10706 8.26451 -4.6991e+00 -9.1071e+00 -4.4650e+00 0.0000e+00 0.0000e+00 9.7604e-06 9.7604e-06 1.0000e+01 -2.0101e-05 0.0000e+00 0.0000e+00 -0.7300 0.0000 0.0000 -2.5429
|
||||
5 react 1 -99 0 1 9.38811 7.98324 -3.9009e+00 -9.3881e+00 -3.5533e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 6.3616e-05 6.3616e-05 9.9998e+00 -1.9091e-04 -2.0015 -0.7195 0.0000 0.0000
|
||||
3 react 1 -99 0 1 8.20884 9.16278 -5.6626e+00 -8.2088e+00 -5.1950e+00 1.7849e-06 1.7849e-06 1.0000e+01 -2.1784e-06 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 -0.0000 -0.0000 -1.8618 -5.8648
|
||||
4 react 1 -99 0 1 9.10706 8.26456 -4.6991e+00 -9.1071e+00 -4.4650e+00 0.0000e+00 0.0000e+00 9.7604e-06 9.7604e-06 1.0000e+01 -2.0101e-05 0.0000e+00 0.0000e+00 -0.7300 -0.0000 0.0000 -2.5429
|
||||
5 react 1 -99 0 1 9.38811 7.98342 -3.9009e+00 -9.3881e+00 -3.5533e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 6.3616e-05 6.3616e-05 9.9998e+00 -1.9091e-04 -2.0015 -0.7195 0.0000 0.0000
|
||||
6 react 1 -99 0 1 8.35063 9.021 -5.5202e+00 -8.3506e+00 -5.1950e+00 1.0000e+01 -3.0245e-06 1.0000e+00 1.2397e-06 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000 -0.0000 -1.5776 -5.5806
|
||||
7 react 1 -99 0 1 9.06827 -3.25856 -4.6603e+00 -9.0683e+00 -4.2503e+00 0.0000e+00 0.0000e+00 1.0000e+01 -3.2815e-05 1.0000e+00 1.0830e-05 0.0000e+00 0.0000e+00 -0.9448 0.0000 0.0000 -2.1135
|
||||
8 react 1 -99 0 1 7.02917 -1.25493 -7.3981e+00 -7.0292e+00 -6.9215e+00 1.1996e-08 1.1996e-08 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000 -3.4530 -9.9565 -13.9595
|
||||
8 react 1 -99 0 2 7.10321 11.4626 -7.0971e+00 -7.1032e+00 -6.6206e+00 4.7312e-08 4.7312e-08 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000 -2.8512 -8.6787 -12.6817
|
||||
8 react 1 -99 0 3 7.2381 -1.23219 -6.7961e+00 -7.2381e+00 -6.3199e+00 1.1631e-07 1.1631e-07 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000 -2.2497 -7.3406 -11.3436
|
||||
8 react 1 -99 0 4 7.44792 -1.59012 -6.4952e+00 -7.4479e+00 -6.0195e+00 2.5047e-07 2.5047e-07 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000 -1.6490 -5.9288 -9.9318
|
||||
8 react 1 -99 0 5 7.71092 -2.00241 -6.1942e+00 -7.7109e+00 -5.7200e+00 5.1404e-07 5.1404e-07 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000 -1.0500 -4.4663 -8.4693
|
||||
8 react 1 -99 0 5 7.71092 -2.00241 -6.1942e+00 -7.7109e+00 -5.7200e+00 5.1404e-07 5.1404e-07 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 -0.0000 -1.0500 -4.4663 -8.4693
|
||||
8 react 1 -99 0 6 7.89183 9.81356 -6.0005e+00 -7.8918e+00 -5.5278e+00 8.0972e-07 8.0972e-07 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000 -0.6657 -3.5152 -7.5182
|
||||
8 react 1 -99 0 7 8.17443 9.60703 -5.6997e+00 -8.1744e+00 -5.2313e+00 1.6364e-06 1.6364e-06 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000 -0.0727 -2.0422 -6.0452
|
||||
8 react 1 -99 0 8 8.48037 -2.7668 -5.3990e+00 -8.4804e+00 -5.0859e+00 0.0000e+00 0.0000e+00 1.7143e-06 1.7143e-06 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 -0.1091 0.0000 -1.3266 -5.1114
|
||||
8 react 1 -99 0 9 8.77515 8.98491 -5.0983e+00 -8.7752e+00 -4.8164e+00 0.0000e+00 0.0000e+00 3.6971e-06 3.6971e-06 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 -0.3786 -0.0000 -0.7312 -3.9771
|
||||
8 react 1 -99 0 10 9.03134 -3.37462 -4.7979e+00 -9.0313e+00 -4.5510e+00 0.0000e+00 0.0000e+00 7.7032e-06 7.7032e-06 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 -0.6440 -0.0000 -0.1746 -2.8896
|
||||
8 react 1 -99 0 11 9.07064 8.46951 -4.6626e+00 -9.0706e+00 -4.2614e+00 0.0000e+00 0.0000e+00 6.2948e-07 6.2948e-07 1.0136e-05 1.0136e-05 0.0000e+00 0.0000e+00 -0.9336 0.0000 -0.0000 -2.1358
|
||||
8 react 1 -99 0 12 9.22303 8.39578 -4.3726e+00 -9.2230e+00 -3.9885e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 2.1273e-05 2.1273e-05 0.0000e+00 0.0000e+00 -1.3540 -0.2950 -0.0000 -1.2950
|
||||
8 react 1 -99 0 13 9.30283 -3.51487 -4.1800e+00 -9.3028e+00 -3.8123e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 3.3294e-05 3.3294e-05 0.0000e+00 0.0000e+00 -1.6210 -0.4766 0.0000 -0.7610
|
||||
8 react 1 -99 0 14 9.38811 8.43828 -3.9009e+00 -9.3881e+00 -3.5533e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 6.3616e-05 6.3616e-05 9.0932e-06 9.0932e-06 -2.0015 -0.7195 -0.0000 -0.0000
|
||||
8 react 1 -99 0 8 8.48037 -2.7668 -5.3990e+00 -8.4804e+00 -5.0859e+00 0.0000e+00 0.0000e+00 1.7143e-06 1.7143e-06 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 -0.1091 -0.0000 -1.3266 -5.1114
|
||||
8 react 1 -99 0 9 8.77515 8.98491 -5.0983e+00 -8.7752e+00 -4.8164e+00 0.0000e+00 0.0000e+00 3.6971e-06 3.6971e-06 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 -0.3786 0.0000 -0.7312 -3.9771
|
||||
8 react 1 -99 0 10 9.03134 -3.37462 -4.7979e+00 -9.0313e+00 -4.5510e+00 0.0000e+00 0.0000e+00 7.7032e-06 7.7032e-06 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 -0.6440 0.0000 -0.1746 -2.8896
|
||||
8 react 1 -99 0 11 9.07064 8.46954 -4.6626e+00 -9.0706e+00 -4.2614e+00 0.0000e+00 0.0000e+00 6.2948e-07 6.2948e-07 1.0136e-05 1.0136e-05 0.0000e+00 0.0000e+00 -0.9336 -0.0000 -0.0000 -2.1358
|
||||
8 react 1 -99 0 12 9.22303 8.39576 -4.3726e+00 -9.2230e+00 -3.9885e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 2.1273e-05 2.1273e-05 0.0000e+00 0.0000e+00 -1.3540 -0.2950 0.0000 -1.2950
|
||||
8 react 1 -99 0 13 9.30283 -3.51489 -4.1800e+00 -9.3028e+00 -3.8123e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 3.3294e-05 3.3294e-05 0.0000e+00 0.0000e+00 -1.6210 -0.4766 0.0000 -0.7610
|
||||
8 react 1 -99 0 14 9.38811 8.43829 -3.9009e+00 -9.3881e+00 -3.5533e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 6.3616e-05 6.3616e-05 9.0932e-06 9.0932e-06 -2.0015 -0.7195 0.0000 0.0000
|
||||
|
||||
File diff suppressed because it is too large
Load Diff
@ -1,28 +1,28 @@
|
||||
sim state reaction si_CO2(g) si_CH4(g) si_N2(g) si_NH3(g) pressure total mol volume g_CO2(g) g_CH4(g) g_N2(g) g_NH3(g)
|
||||
1 i_soln -99 -999.9990 -999.9990 -999.9990 -999.9990 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00
|
||||
1 react -99 -1.5001 -21.5495 -999.9990 -999.9990 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00
|
||||
2 react 1.0000e-03 -1.3543 -0.4983 -3.9804 -8.3808 1.1000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00
|
||||
2 react 2.0000e-03 -1.2453 -0.1973 -3.7280 -8.1826 1.1000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00
|
||||
2 react 3.0000e-03 -1.1581 -0.0212 -3.6048 -8.0877 1.1000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00
|
||||
2 react 4.0000e-03 -1.0912 -0.0069 -3.4390 -8.0245 1.1000e+00 5.0204e-04 1.1135e-02 3.7205e-05 4.5026e-04 1.6609e-07 0.0000e+00
|
||||
2 react 8.0000e-03 -0.9096 -0.0263 -3.0144 -7.8876 1.1000e+00 2.9375e-03 6.5147e-02 3.3072e-04 2.5199e-03 2.5831e-06 0.0000e+00
|
||||
2 react 1.6000e-02 -0.7175 -0.0600 -2.5773 -7.7537 1.1000e+00 8.3727e-03 1.8565e-01 1.4671e-03 6.6450e-03 2.0140e-05 0.0000e+00
|
||||
2 react 3.2000e-02 -0.5497 -0.1105 -2.1264 -7.6102 1.1000e+00 2.1074e-02 4.6715e-01 5.4354e-03 1.4890e-02 1.4316e-04 0.0000e+00
|
||||
2 react 6.4000e-02 -0.4347 -0.1674 -1.7740 -7.4984 1.1000e+00 5.0854e-02 1.1270e+00 1.7094e-02 3.1521e-02 7.7760e-04 0.0000e+00
|
||||
2 react 1.2500e-01 -0.3738 -0.2103 -1.5956 -7.4482 1.1000e+00 1.1310e-01 2.5060e+00 4.3740e-02 6.3498e-02 2.6073e-03 0.0000e+00
|
||||
2 react 2.5000e-01 -0.3427 -0.2371 -1.5130 -7.4286 1.1000e+00 2.4479e-01 5.4234e+00 1.0170e-01 1.2922e-01 6.8256e-03 0.0000e+00
|
||||
2 react 5.0000e-01 -0.3277 -0.2513 -1.4759 -7.4210 1.1000e+00 5.1045e-01 1.1309e+01 2.1951e-01 2.6076e-01 1.5502e-02 0.0000e+00
|
||||
2 react 1.0000e+00 -0.3204 -0.2586 -1.4585 -7.4178 1.1000e+00 1.0429e+00 2.3104e+01 4.5607e-01 5.2387e-01 3.2966e-02 0.0000e+00
|
||||
3 i_gas -99 -1.5001 -21.5495 -999.9990 -999.9990 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00
|
||||
3 react 1.0000e-03 -1.4939 -3.2574 -4.4528 -9.5993 6.4111e-02 6.0800e-02 2.3190e+01 3.0424e-02 5.2421e-04 3.3422e-05 0.0000e+00
|
||||
3 react 2.0000e-03 -1.4874 -2.9563 -4.1503 -9.3376 6.5179e-02 6.1814e-02 2.3190e+01 3.0880e-02 1.0486e-03 6.7073e-05 0.0000e+00
|
||||
3 react 3.0000e-03 -1.4811 -2.7802 -3.9735 -9.1855 6.6249e-02 6.2829e-02 2.3190e+01 3.1336e-02 1.5730e-03 1.0078e-04 0.0000e+00
|
||||
1 react -99 -1.5001 -21.5524 -999.9990 -999.9990 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00
|
||||
2 react 1.0000e-03 -1.3544 -0.4983 -3.9804 -8.3808 1.1000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00
|
||||
2 react 2.0000e-03 -1.2454 -0.1973 -3.7279 -8.1825 1.1000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00
|
||||
2 react 3.0000e-03 -1.1582 -0.0212 -3.6047 -8.0876 1.1000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00
|
||||
2 react 4.0000e-03 -1.0914 -0.0069 -3.4389 -8.0244 1.1000e+00 5.0197e-04 1.1134e-02 3.7187e-05 4.5021e-04 1.6610e-07 0.0000e+00
|
||||
2 react 8.0000e-03 -0.9098 -0.0262 -3.0143 -7.8874 1.1000e+00 2.9373e-03 6.5142e-02 3.3055e-04 2.5198e-03 2.5836e-06 0.0000e+00
|
||||
2 react 1.6000e-02 -0.7177 -0.0600 -2.5772 -7.7536 1.1000e+00 8.3718e-03 1.8563e-01 1.4663e-03 6.6449e-03 2.0143e-05 0.0000e+00
|
||||
2 react 3.2000e-02 -0.5499 -0.1104 -2.1263 -7.6101 1.1000e+00 2.1071e-02 4.6708e-01 5.4326e-03 1.4890e-02 1.4316e-04 0.0000e+00
|
||||
2 react 6.4000e-02 -0.4348 -0.1673 -1.7739 -7.4984 1.1000e+00 5.0847e-02 1.1268e+00 1.7087e-02 3.1521e-02 7.7758e-04 0.0000e+00
|
||||
2 react 1.2500e-01 -0.3738 -0.2103 -1.5956 -7.4482 1.1000e+00 1.1309e-01 2.5057e+00 4.3730e-02 6.3498e-02 2.6073e-03 0.0000e+00
|
||||
2 react 2.5000e-01 -0.3427 -0.2370 -1.5130 -7.4286 1.1000e+00 2.4478e-01 5.4231e+00 1.0169e-01 1.2922e-01 6.8255e-03 0.0000e+00
|
||||
2 react 5.0000e-01 -0.3277 -0.2513 -1.4759 -7.4210 1.1000e+00 5.1044e-01 1.1308e+01 2.1949e-01 2.6076e-01 1.5502e-02 0.0000e+00
|
||||
2 react 1.0000e+00 -0.3204 -0.2586 -1.4585 -7.4178 1.1000e+00 1.0429e+00 2.3104e+01 4.5605e-01 5.2387e-01 3.2966e-02 0.0000e+00
|
||||
3 i_gas -99 -1.5001 -21.5524 -999.9990 -999.9990 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00
|
||||
3 react 1.0000e-03 -1.4939 -3.2574 -4.4528 -9.5993 6.4109e-02 6.0800e-02 2.3190e+01 3.0424e-02 5.2421e-04 3.3422e-05 0.0000e+00
|
||||
3 react 2.0000e-03 -1.4874 -2.9563 -4.1503 -9.3376 6.5180e-02 6.1814e-02 2.3190e+01 3.0880e-02 1.0486e-03 6.7072e-05 0.0000e+00
|
||||
3 react 3.0000e-03 -1.4811 -2.7802 -3.9735 -9.1855 6.6249e-02 6.2828e-02 2.3190e+01 3.1336e-02 1.5730e-03 1.0078e-04 0.0000e+00
|
||||
3 react 4.0000e-03 -1.4748 -2.6552 -3.8480 -9.0783 6.7318e-02 6.3843e-02 2.3190e+01 3.1792e-02 2.0975e-03 1.3452e-04 0.0000e+00
|
||||
3 react 8.0000e-03 -1.4506 -2.3542 -3.5461 -8.8235 7.1596e-02 6.7900e-02 2.3190e+01 3.3615e-02 4.1954e-03 2.6960e-04 0.0000e+00
|
||||
3 react 1.6000e-02 -1.4059 -2.0531 -3.2447 -8.5767 8.0152e-02 7.6015e-02 2.3190e+01 3.7262e-02 8.3911e-03 5.3973e-04 0.0000e+00
|
||||
3 react 3.2000e-02 -1.3283 -1.7522 -2.9439 -8.3425 9.7259e-02 9.2242e-02 2.3190e+01 4.4554e-02 1.6782e-02 1.0788e-03 0.0000e+00
|
||||
3 react 6.4000e-02 -1.2055 -1.4513 -2.6441 -8.1258 1.3145e-01 1.2468e-01 2.3190e+01 5.9134e-02 3.3559e-02 2.1518e-03 0.0000e+00
|
||||
3 react 1.2500e-01 -1.0385 -1.1608 -2.3556 -7.9353 1.9656e-01 1.8648e-01 2.3190e+01 8.6910e-02 6.5530e-02 4.1820e-03 0.0000e+00
|
||||
3 react 2.5000e-01 -0.8204 -0.8602 -2.0577 -7.7555 3.2979e-01 3.1301e-01 2.3190e+01 1.4379e-01 1.3102e-01 8.3071e-03 0.0000e+00
|
||||
3 react 5.0000e-01 -0.5684 -0.5600 -1.7598 -7.5884 5.9574e-01 5.6594e-01 2.3190e+01 2.5751e-01 2.6196e-01 1.6510e-02 0.0000e+00
|
||||
3 react 1.0000e+00 -0.2954 -0.2603 -1.4608 -7.4290 1.1262e+00 1.0719e+00 2.3190e+01 4.8500e-01 5.2384e-01 3.2919e-02 0.0000e+00
|
||||
3 react 3.2000e-02 -1.3283 -1.7522 -2.9439 -8.3425 9.7257e-02 9.2242e-02 2.3190e+01 4.4554e-02 1.6782e-02 1.0788e-03 0.0000e+00
|
||||
3 react 6.4000e-02 -1.2055 -1.4513 -2.6441 -8.1258 1.3145e-01 1.2468e-01 2.3190e+01 5.9133e-02 3.3559e-02 2.1518e-03 0.0000e+00
|
||||
3 react 1.2500e-01 -1.0385 -1.1608 -2.3556 -7.9353 1.9656e-01 1.8648e-01 2.3190e+01 8.6909e-02 6.5530e-02 4.1820e-03 0.0000e+00
|
||||
3 react 2.5000e-01 -0.8204 -0.8602 -2.0577 -7.7555 3.2979e-01 3.1300e-01 2.3190e+01 1.4379e-01 1.3102e-01 8.3071e-03 0.0000e+00
|
||||
3 react 5.0000e-01 -0.5684 -0.5600 -1.7598 -7.5884 5.9573e-01 5.6594e-01 2.3190e+01 2.5750e-01 2.6196e-01 1.6510e-02 0.0000e+00
|
||||
3 react 1.0000e+00 -0.2955 -0.2603 -1.4608 -7.4290 1.1262e+00 1.0719e+00 2.3190e+01 4.8499e-01 5.2384e-01 3.2919e-02 0.0000e+00
|
||||
|
||||
File diff suppressed because it is too large
Load Diff
@ -12,11 +12,11 @@
|
||||
15 react 1 -99 0 1 7.5 12.2374 -99 25.000 3.80557e-07 0.0999953 1 -1.01328e-05 -0.00506665 1.1918e-09 4.0447e-09 9.4738e-08
|
||||
16 react 1 -99 0 1 7.75 11.9517 -99 25.000 7.23295e-07 0.0999982 1 -4.96214e-06 -0.00248112 4.2167e-10 4.0771e-09 9.5483e-08
|
||||
17 react 1 -99 0 1 8 11.666 -99 25.000 1.3124e-06 0.100001 1 -1.7871e-08 -8.9354e-06 1.4817e-10 4.0887e-09 9.5749e-08
|
||||
20 react 2 -99 0 1 5 15.0946 -99 25.000 -1.21096e-05 0.100042 0.999998 -0.000112354 -0.0562096 9.9686e-05 1.3167e-08 2.9577e-07
|
||||
20 react 2 -99 0 1 5 15.0945 -99 25.000 -1.21096e-05 0.100042 0.999998 -0.000112354 -0.0562096 9.9686e-05 1.3167e-08 2.9577e-07
|
||||
21 react 2 -99 0 1 5.25 14.8088 -99 25.000 -6.80176e-06 0.10005 0.999998 -9.68903e-05 -0.0484692 9.9221e-05 3.6026e-08 7.3398e-07
|
||||
22 react 2 -99 0 1 5.5 14.5231 -99 25.000 -3.81085e-06 0.100056 0.999998 -8.25933e-05 -0.041314 9.8302e-05 9.7147e-08 1.5849e-06
|
||||
23 react 2 -99 0 1 5.75 14.2374 -99 25.000 -2.1182e-06 0.100062 0.999999 -6.96993e-05 -0.034862 9.6949e-05 2.5852e-07 2.7639e-06
|
||||
24 react 2 -99 0 1 6 13.9517 -99 25.000 -1.14729e-06 0.100066 0.999999 -5.82072e-05 -0.0291122 9.5439e-05 6.8198e-07 3.8284e-06
|
||||
24 react 2 -99 0 1 6 13.9517 -99 25.000 -1.14729e-06 0.100066 0.999999 -5.82071e-05 -0.0291122 9.5439e-05 6.8198e-07 3.8284e-06
|
||||
25 react 2 -99 0 1 6.25 13.666 -99 25.000 -5.67452e-07 0.100069 0.999999 -4.8109e-05 -0.0240603 9.3655e-05 1.7788e-06 4.4775e-06
|
||||
26 react 2 -99 0 1 6.5 13.3802 -99 25.000 -1.82222e-07 0.100071 1 -3.95664e-05 -0.0197871 9.0590e-05 4.4736e-06 4.7812e-06
|
||||
27 react 2 -99 0 1 6.75 13.0945 -99 25.000 1.33839e-07 0.100068 1 -3.28749e-05 -0.0164401 8.4578e-05 1.0254e-05 4.9050e-06
|
||||
|
||||
File diff suppressed because it is too large
Load Diff
@ -1,13 +1,13 @@
|
||||
Days Fe(2) Fe(3) pH si_goethite
|
||||
0.0000e+00 1.0000e+02 0.0000e+00 7.0000e+00 -9.9990e+01
|
||||
1.1574e-03 9.8934e+01 1.0659e+00 6.0444e+00 6.6428e+00
|
||||
5.7870e-03 9.8192e+01 1.8075e+00 5.8065e+00 6.6545e+00
|
||||
4.1667e-02 9.6567e+01 3.4332e+00 5.5216e+00 6.6603e+00
|
||||
1.6667e-01 9.4600e+01 5.4003e+00 5.3238e+00 6.6621e+00
|
||||
4.1667e-01 9.2711e+01 7.2889e+00 5.1945e+00 6.6628e+00
|
||||
1.0000e+00 9.0288e+01 9.7124e+00 5.0720e+00 6.6633e+00
|
||||
2.0000e+00 8.7808e+01 1.2192e+01 4.9760e+00 6.6635e+00
|
||||
4.0000e+00 8.4698e+01 1.5302e+01 4.8811e+00 6.6638e+00
|
||||
6.0000e+00 8.2526e+01 1.7474e+01 4.8262e+00 6.6639e+00
|
||||
8.0000e+00 8.0803e+01 1.9197e+01 4.7875e+00 6.6640e+00
|
||||
1.0000e+01 7.9352e+01 2.0648e+01 4.7577e+00 6.6640e+00
|
||||
1.1574e-03 9.8933e+01 1.0673e+00 6.0448e+00 6.6437e+00
|
||||
5.7870e-03 9.8190e+01 1.8102e+00 5.8069e+00 6.6555e+00
|
||||
4.1667e-02 9.6561e+01 3.4389e+00 5.5220e+00 6.6614e+00
|
||||
1.6667e-01 9.4590e+01 5.4095e+00 5.3242e+00 6.6632e+00
|
||||
4.1667e-01 9.2698e+01 7.3016e+00 5.1949e+00 6.6640e+00
|
||||
1.0000e+00 9.0271e+01 9.7294e+00 5.0724e+00 6.6644e+00
|
||||
2.0000e+00 8.7787e+01 1.2213e+01 4.9764e+00 6.6647e+00
|
||||
4.0000e+00 8.4672e+01 1.5328e+01 4.8815e+00 6.6650e+00
|
||||
6.0000e+00 8.2496e+01 1.7504e+01 4.8266e+00 6.6651e+00
|
||||
8.0000e+00 8.0770e+01 1.9230e+01 4.7879e+00 6.6652e+00
|
||||
1.0000e+01 7.9317e+01 2.0683e+01 4.7581e+00 6.6653e+00
|
||||
|
||||
Loading…
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Reference in New Issue
Block a user