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added explanation for SI**, many changes.

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git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@7915 1feff8c3-07ed-0310-ac33-dd36852eb9cd
This commit is contained in:
David L Parkhurst 2013-08-12 17:42:09 +00:00
parent 73e845d629
commit f47adf21f2
31 changed files with 1657 additions and 573 deletions
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4
ex1.out
View File

@ -282,7 +282,7 @@ U(6) 1.437e-08
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
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
@ -316,6 +316,8 @@ U(6) 1.437e-08
Talc 6.03 27.43 21.40 Mg3Si4O10(OH)2
Uraninite -12.65 -16.14 -3.49 UO2
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
------------------
End of simulation.

14
ex10.out
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@ -162,7 +162,7 @@ O(0) 1.243e-38
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Aragonite 1.17 -7.17 -8.34 CaCO3
Calcite 1.31 -7.17 -8.48 CaCO3
@ -172,6 +172,8 @@ O(0) 1.243e-38
H2O(g) -1.50 -0.00 1.50 H2O
O2(g) -35.31 -38.21 -2.89 O2
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
-----------------------------------------
Beginning of batch-reaction calculations.
@ -244,7 +246,7 @@ O(0) 1.485e-14
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Aragonite 0.00 -8.34 -8.34 CaCO3
Calcite 0.14 -8.34 -8.48 CaCO3
@ -254,6 +256,8 @@ O(0) 1.485e-14
H2O(g) -1.50 -0.00 1.50 H2O
O2(g) -11.23 -14.13 -2.89 O2
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
------------------
End of simulation.
@ -8412,7 +8416,7 @@ XSr: 9.5754e-01
Misc 1: 4.8032e-03
Misc 2: 8.5786e-01
------------------------------
End of Run after 0.42 Seconds.
------------------------------
-----------------------------
End of Run after 0.4 Seconds.
-----------------------------

10
ex11.out
View File

@ -95,12 +95,14 @@ O(0) 5.351e-04
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
H2(g) -41.30 -44.40 -3.10 H2
H2O(g) -1.50 -0.00 1.50 H2O
O2(g) -0.68 -3.57 -2.89 O2 Pressure 0.2 atm, phi 1.000
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Initial solution 1. Initial solution for column
@ -154,12 +156,14 @@ O(0) 5.351e-04
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
H2(g) -41.30 -44.40 -3.10 H2
H2O(g) -1.50 -0.00 1.50 H2O
O2(g) -0.68 -3.57 -2.89 O2 Pressure 0.2 atm, phi 1.000
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
------------------
End of simulation.
@ -208,6 +212,6 @@ Reading input data for simulation 3.
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 3.95 Seconds.
End of Run after 3.96 Seconds.
------------------------------

2
ex12.out
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@ -53,6 +53,6 @@ Reading input data for simulation 1.
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 1.43 Seconds.
End of Run after 1.42 Seconds.
------------------------------

18
ex13a.out
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@ -92,13 +92,15 @@ O(0) 5.110e-04
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
H2(g) -41.29 -44.39 -3.10 H2
H2O(g) -1.50 -0.00 1.50 H2O
Halite -7.61 -6.04 1.57 NaCl
O2(g) -0.70 -3.59 -2.89 O2 Pressure 0.2 atm, phi 1.000
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
------------------
End of simulation.
@ -174,12 +176,14 @@ O(0) 5.111e-04
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
H2(g) -41.29 -44.39 -3.10 H2
H2O(g) -1.50 -0.00 1.50 H2O
O2(g) -0.70 -3.59 -2.89 O2 Pressure 0.2 atm, phi 1.000
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
-------------------------------------------------------
Beginning of initial exchange-composition calculations.
@ -266,7 +270,7 @@ O(0) 5.111e-04
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
H2(g) -41.29 -44.39 -3.10 H2
H2O(g) -1.50 -0.00 1.50 H2O
@ -274,6 +278,8 @@ O(0) 5.111e-04
NH3(g) -66.95 -65.16 1.80 NH3
O2(g) -0.70 -3.59 -2.89 O2
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
------------------
End of simulation.
@ -330,7 +336,7 @@ 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 0.2 Seconds.
-----------------------------
------------------------------
End of Run after 0.19 Seconds.
------------------------------

12
ex13ac.out
View File

@ -92,13 +92,15 @@ O(0) 5.110e-04
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
H2(g) -41.29 -44.39 -3.10 H2
H2O(g) -1.50 -0.00 1.50 H2O
Halite -7.61 -6.04 1.57 NaCl
O2(g) -0.70 -3.59 -2.89 O2 Pressure 0.2 atm, phi 1.000
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
------------------
End of simulation.
@ -174,12 +176,14 @@ O(0) 5.111e-04
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
H2(g) -41.29 -44.39 -3.10 H2
H2O(g) -1.50 -0.00 1.50 H2O
O2(g) -0.70 -3.59 -2.89 O2 Pressure 0.2 atm, phi 1.000
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
-------------------------------------------------------
Beginning of initial exchange-composition calculations.
@ -266,7 +270,7 @@ O(0) 5.111e-04
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
H2(g) -41.29 -44.39 -3.10 H2
H2O(g) -1.50 -0.00 1.50 H2O
@ -274,6 +278,8 @@ O(0) 5.111e-04
NH3(g) -66.95 -65.16 1.80 NH3
O2(g) -0.70 -3.59 -2.89 O2
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
------------------
End of simulation.

18
ex13b.out
View File

@ -92,13 +92,15 @@ O(0) 5.110e-04
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
H2(g) -41.29 -44.39 -3.10 H2
H2O(g) -1.50 -0.00 1.50 H2O
Halite -7.61 -6.04 1.57 NaCl
O2(g) -0.70 -3.59 -2.89 O2 Pressure 0.2 atm, phi 1.000
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
------------------
End of simulation.
@ -174,12 +176,14 @@ O(0) 5.111e-04
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
H2(g) -41.29 -44.39 -3.10 H2
H2O(g) -1.50 -0.00 1.50 H2O
O2(g) -0.70 -3.59 -2.89 O2 Pressure 0.2 atm, phi 1.000
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
-------------------------------------------------------
Beginning of initial exchange-composition calculations.
@ -266,7 +270,7 @@ O(0) 5.111e-04
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
H2(g) -41.29 -44.39 -3.10 H2
H2O(g) -1.50 -0.00 1.50 H2O
@ -274,6 +278,8 @@ O(0) 5.111e-04
NH3(g) -66.95 -65.16 1.80 NH3
O2(g) -0.70 -3.59 -2.89 O2
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
------------------
End of simulation.
@ -450,7 +456,7 @@ 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 0.2 Seconds.
-----------------------------
------------------------------
End of Run after 0.19 Seconds.
------------------------------

14
ex13c.out
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@ -92,13 +92,15 @@ O(0) 5.110e-04
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
H2(g) -41.29 -44.39 -3.10 H2
H2O(g) -1.50 -0.00 1.50 H2O
Halite -7.61 -6.04 1.57 NaCl
O2(g) -0.70 -3.59 -2.89 O2 Pressure 0.2 atm, phi 1.000
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
------------------
End of simulation.
@ -174,12 +176,14 @@ O(0) 5.111e-04
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
H2(g) -41.29 -44.39 -3.10 H2
H2O(g) -1.50 -0.00 1.50 H2O
O2(g) -0.70 -3.59 -2.89 O2 Pressure 0.2 atm, phi 1.000
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
-------------------------------------------------------
Beginning of initial exchange-composition calculations.
@ -266,7 +270,7 @@ O(0) 5.111e-04
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
H2(g) -41.29 -44.39 -3.10 H2
H2O(g) -1.50 -0.00 1.50 H2O
@ -274,6 +278,8 @@ O(0) 5.111e-04
NH3(g) -66.95 -65.16 1.80 NH3
O2(g) -0.70 -3.59 -2.89 O2
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
------------------
End of simulation.
@ -771,6 +777,6 @@ WARNING: Dispersivities were read for 1 cells. Last value is used till cell 20.
-end
END
------------------------------
End of Run after 0.39 Seconds.
End of Run after 0.38 Seconds.
------------------------------

22
ex14.out
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@ -166,7 +166,7 @@ S(6) 4.725e-03
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Anhydrite -0.40 -4.68 -4.28 CaSO4
Aragonite -0.32 -8.66 -8.34 CaCO3
@ -182,6 +182,8 @@ S(6) 4.725e-03
O2(g) -0.70 -3.59 -2.89 O2 Pressure 0.2 atm, phi 1.000
Sulfur -103.87 -98.99 4.88 S
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
------------------
End of simulation.
@ -316,7 +318,7 @@ S(6) 4.725e-03
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Anhydrite -0.40 -4.68 -4.28 CaSO4
Aragonite -0.14 -8.48 -8.34 CaCO3
@ -332,6 +334,8 @@ S(6) 4.725e-03
O2(g) -0.70 -3.59 -2.89 O2
Sulfur -104.22 -99.33 4.88 S
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
------------------
End of simulation.
@ -513,7 +517,7 @@ S(6) 2.351e-04
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Anhydrite -3.22 -7.50 -4.28 CaSO4
Aragonite -7.91 -16.24 -8.34 CaCO3
@ -529,6 +533,8 @@ S(6) 2.351e-04
O2(g) -0.70 -3.59 -2.89 O2 Pressure 0.2 atm, phi 1.000
Sulfur -100.93 -96.05 4.88 S
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
-----------------------------------------
Beginning of batch-reaction calculations.
@ -637,7 +643,7 @@ S(6) 2.351e-04
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Anhydrite -2.56 -6.83 -4.28 CaSO4
Aragonite -0.14 -8.48 -8.34 CaCO3
@ -653,6 +659,8 @@ S(6) 2.351e-04
O2(g) -0.70 -3.59 -2.89 O2
Sulfur -106.02 -101.14 4.88 S
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
------------------
End of simulation.
@ -1029,7 +1037,7 @@ S(6) 2.351e-04
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Anhydrite -2.56 -6.84 -4.28 CaSO4
Aragonite -0.15 -8.48 -8.34 CaCO3
@ -1045,6 +1053,8 @@ S(6) 2.351e-04
O2(g) -0.70 -3.59 -2.89 O2
Sulfur -106.02 -101.14 4.88 S
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
------------------
End of simulation.
@ -1055,6 +1065,6 @@ Reading input data for simulation 6.
------------------------------------
------------------------------
End of Run after 0.23 Seconds.
End of Run after 0.24 Seconds.
------------------------------

2
ex15.out
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@ -213,6 +213,6 @@ WARNING: USER_PUNCH: Headings count does not match number of calls to PUNCH.
shifts 110
END
-------------------------------
End of Run after 11.32 Seconds.
End of Run after 11.36 Seconds.
-------------------------------

2
ex15a.out
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@ -190,6 +190,6 @@ WARNING: USER_PUNCH: Headings count does not match number of calls to PUNCH.
shifts 110
END
-------------------------------
End of Run after 11.37 Seconds.
End of Run after 11.39 Seconds.
-------------------------------

2
ex15b.out
View File

@ -187,6 +187,6 @@ WARNING: Dispersivities were read for 1 cells. Last value is used till cell 20.
shifts 110
END
-------------------------------
End of Run after 11.33 Seconds.
End of Run after 11.41 Seconds.
-------------------------------

10
ex16.out
View File

@ -154,7 +154,7 @@ Si 2.730e-04
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Anhydrite -4.93 -9.20 -4.28 CaSO4
Aragonite -3.44 -11.78 -8.34 CaCO3
@ -175,6 +175,8 @@ Si 2.730e-04
Sylvite -10.33 -9.43 0.90 KCl
Talc -12.20 9.20 21.40 Mg3Si4O10(OH)2
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Initial solution 2.
@ -271,7 +273,7 @@ Si 4.100e-04
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Anhydrite -4.07 -8.35 -4.28 CaSO4
Aragonite -1.92 -10.26 -8.34 CaCO3
@ -292,6 +294,8 @@ Si 4.100e-04
Sylvite -9.86 -8.96 0.90 KCl
Talc -6.82 14.58 21.40 Mg3Si4O10(OH)2
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
---------------------------------------------
Beginning of inverse modeling 1 calculations.
@ -438,6 +442,6 @@ Reading input data for simulation 2.
------------------------------------
------------------------------
End of Run after 0.04 Seconds.
End of Run after 0.03 Seconds.
------------------------------

10
ex17.out
View File

@ -142,7 +142,7 @@ S(6) 1.527e-02
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Anhydrite -1.28 -5.50 -4.22 CaSO4
Aragonite -0.26 -8.48 -8.22 CaCO3
@ -185,6 +185,8 @@ S(6) 1.527e-02
Thenardite -3.79 -4.14 -0.35 Na2SO4
Trona -10.12 -21.51 -11.38 Na3H(CO3)2:2H2O
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Initial solution 2. Composition during halite precipitation
@ -254,7 +256,7 @@ S(6) 8.986e-01
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Arcanite -1.50 -3.28 -1.78 K2SO4
Bischofite -2.44 2.02 4.46 MgCl2:6H2O
@ -285,6 +287,8 @@ S(6) 8.986e-01
Thenardite -0.41 -0.76 -0.35 Na2SO4
Trona -14.75 -26.14 -11.38 Na3H(CO3)2:2H2O
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
---------------------------------------------
Beginning of inverse modeling 1 calculations.
@ -356,6 +360,6 @@ Reading input data for simulation 2.
------------------------------------
------------------------------
End of Run after 0.04 Seconds.
End of Run after 0.03 Seconds.
------------------------------

96
ex17b.out
View File

@ -144,7 +144,7 @@ S(6) 1.527e-02
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Anhydrite -1.28 -5.50 -4.22 CaSO4
Aragonite -0.26 -8.48 -8.22 CaCO3
@ -187,6 +187,8 @@ S(6) 1.527e-02
Thenardite -3.79 -4.14 -0.35 Na2SO4
Trona -10.12 -21.51 -11.38 Na3H(CO3)2:2H2O
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
-----------------------------------------
Beginning of batch-reaction calculations.
@ -299,7 +301,7 @@ S(6) 1.527e-02
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Anhydrite -1.28 -5.50 -4.22 CaSO4
Aragonite -0.26 -8.48 -8.22 CaCO3
@ -342,6 +344,8 @@ S(6) 1.527e-02
Thenardite -3.79 -4.14 -0.35 Na2SO4
Trona -10.12 -21.51 -11.38 Na3H(CO3)2:2H2O
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 2.
@ -450,7 +454,7 @@ S(6) 4.345e-02
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Anhydrite -0.78 -5.00 -4.22 CaSO4
Aragonite -0.19 -8.41 -8.22 CaCO3
@ -493,6 +497,8 @@ S(6) 4.345e-02
Thenardite -2.79 -3.14 -0.35 Na2SO4
Trona -9.29 -20.67 -11.38 Na3H(CO3)2:2H2O
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 3.
@ -601,7 +607,7 @@ S(6) 5.466e-02
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Anhydrite -0.66 -4.88 -4.22 CaSO4
Aragonite -0.19 -8.41 -8.22 CaCO3
@ -644,6 +650,8 @@ S(6) 5.466e-02
Thenardite -2.57 -2.92 -0.35 Na2SO4
Trona -9.15 -20.53 -11.38 Na3H(CO3)2:2H2O
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 4.
@ -752,7 +760,7 @@ S(6) 7.366e-02
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Anhydrite -0.49 -4.71 -4.22 CaSO4
Aragonite -0.19 -8.41 -8.22 CaCO3
@ -795,6 +803,8 @@ S(6) 7.366e-02
Thenardite -2.29 -2.64 -0.35 Na2SO4
Trona -8.98 -20.37 -11.38 Na3H(CO3)2:2H2O
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 5.
@ -903,7 +913,7 @@ S(6) 1.071e-01
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Anhydrite -0.29 -4.51 -4.22 CaSO4
Aragonite -0.19 -8.41 -8.22 CaCO3
@ -946,6 +956,8 @@ S(6) 1.071e-01
Thenardite -1.87 -2.22 -0.35 Na2SO4
Trona -8.70 -20.08 -11.38 Na3H(CO3)2:2H2O
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 6.
@ -1054,7 +1066,7 @@ S(6) 1.166e-01
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Anhydrite -0.27 -4.50 -4.22 CaSO4
Aragonite -0.19 -8.41 -8.22 CaCO3
@ -1097,6 +1109,8 @@ S(6) 1.166e-01
Thenardite -1.74 -2.09 -0.35 Na2SO4
Trona -8.53 -19.92 -11.38 Na3H(CO3)2:2H2O
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 7.
@ -1205,7 +1219,7 @@ S(6) 1.291e-01
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Anhydrite -0.25 -4.48 -4.22 CaSO4
Aragonite -0.19 -8.41 -8.22 CaCO3
@ -1248,6 +1262,8 @@ S(6) 1.291e-01
Thenardite -1.57 -1.92 -0.35 Na2SO4
Trona -8.33 -19.72 -11.38 Na3H(CO3)2:2H2O
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 8.
@ -1356,7 +1372,7 @@ S(6) 1.466e-01
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Anhydrite -0.23 -4.45 -4.22 CaSO4
Aragonite -0.19 -8.41 -8.22 CaCO3
@ -1399,6 +1415,8 @@ S(6) 1.466e-01
Thenardite -1.35 -1.70 -0.35 Na2SO4
Trona -8.08 -19.46 -11.38 Na3H(CO3)2:2H2O
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 9.
@ -1507,7 +1525,7 @@ S(6) 1.743e-01
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Anhydrite -0.17 -4.40 -4.22 CaSO4
Aragonite -0.19 -8.41 -8.22 CaCO3
@ -1550,6 +1568,8 @@ S(6) 1.743e-01
Thenardite -1.02 -1.37 -0.35 Na2SO4
Trona -7.73 -19.12 -11.38 Na3H(CO3)2:2H2O
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 10.
@ -1658,7 +1678,7 @@ S(6) 2.289e-01
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Anhydrite -0.09 -4.32 -4.22 CaSO4
Aragonite -0.19 -8.41 -8.22 CaCO3
@ -1701,6 +1721,8 @@ S(6) 2.289e-01
Thenardite -0.60 -0.95 -0.35 Na2SO4
Trona -7.31 -18.69 -11.38 Na3H(CO3)2:2H2O
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 11.
@ -1809,7 +1831,7 @@ S(6) 2.948e-01
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Anhydrite -0.08 -4.31 -4.22 CaSO4
Aragonite -0.19 -8.41 -8.22 CaCO3
@ -1852,6 +1874,8 @@ S(6) 2.948e-01
Thenardite -0.59 -0.94 -0.35 Na2SO4
Trona -7.33 -18.71 -11.38 Na3H(CO3)2:2H2O
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 12.
@ -1960,7 +1984,7 @@ S(6) 3.282e-01
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Anhydrite -0.08 -4.30 -4.22 CaSO4
Aragonite -0.19 -8.41 -8.22 CaCO3
@ -2003,6 +2027,8 @@ S(6) 3.282e-01
Thenardite -0.59 -0.94 -0.35 Na2SO4
Trona -7.36 -18.74 -11.38 Na3H(CO3)2:2H2O
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 13.
@ -2111,7 +2137,7 @@ S(6) 3.869e-01
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Anhydrite -0.07 -4.29 -4.22 CaSO4
Aragonite -0.19 -8.41 -8.22 CaCO3
@ -2154,6 +2180,8 @@ S(6) 3.869e-01
Thenardite -0.60 -0.95 -0.35 Na2SO4
Trona -7.41 -18.79 -11.38 Na3H(CO3)2:2H2O
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 14.
@ -2262,7 +2290,7 @@ S(6) 4.638e-01
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Anhydrite -0.05 -4.28 -4.22 CaSO4
Aragonite -0.19 -8.41 -8.22 CaCO3
@ -2305,6 +2333,8 @@ S(6) 4.638e-01
Thenardite -0.62 -0.97 -0.35 Na2SO4
Trona -7.47 -18.85 -11.38 Na3H(CO3)2:2H2O
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 15.
@ -2413,7 +2443,7 @@ S(6) 4.965e-01
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Anhydrite -0.05 -4.27 -4.22 CaSO4
Aragonite -0.19 -8.41 -8.22 CaCO3
@ -2456,6 +2486,8 @@ S(6) 4.965e-01
Thenardite -0.62 -0.97 -0.35 Na2SO4
Trona -7.49 -18.88 -11.38 Na3H(CO3)2:2H2O
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 16.
@ -2564,7 +2596,7 @@ S(6) 5.312e-01
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Anhydrite -0.04 -4.26 -4.22 CaSO4
Aragonite -0.19 -8.41 -8.22 CaCO3
@ -2607,6 +2639,8 @@ S(6) 5.312e-01
Thenardite -0.63 -0.98 -0.35 Na2SO4
Trona -7.52 -18.90 -11.38 Na3H(CO3)2:2H2O
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 17.
@ -2715,7 +2749,7 @@ S(6) 5.641e-01
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Anhydrite -0.03 -4.26 -4.22 CaSO4
Aragonite -0.19 -8.41 -8.22 CaCO3
@ -2758,6 +2792,8 @@ S(6) 5.641e-01
Thenardite -0.64 -0.99 -0.35 Na2SO4
Trona -7.54 -18.92 -11.38 Na3H(CO3)2:2H2O
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 18.
@ -2866,7 +2902,7 @@ S(6) 6.065e-01
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Anhydrite -0.03 -4.25 -4.22 CaSO4
Aragonite -0.19 -8.41 -8.22 CaCO3
@ -2909,6 +2945,8 @@ S(6) 6.065e-01
Thenardite -0.64 -0.99 -0.35 Na2SO4
Trona -7.57 -18.95 -11.38 Na3H(CO3)2:2H2O
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 19.
@ -3017,7 +3055,7 @@ S(6) 6.383e-01
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Anhydrite -0.02 -4.25 -4.22 CaSO4
Aragonite -0.19 -8.41 -8.22 CaCO3
@ -3060,6 +3098,8 @@ S(6) 6.383e-01
Thenardite -0.65 -1.00 -0.35 Na2SO4
Trona -7.59 -18.97 -11.38 Na3H(CO3)2:2H2O
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 20.
@ -3168,7 +3208,7 @@ S(6) 6.763e-01
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Anhydrite -0.02 -4.24 -4.22 CaSO4
Aragonite -0.19 -8.41 -8.22 CaCO3
@ -3211,6 +3251,8 @@ S(6) 6.763e-01
Thenardite -0.65 -1.00 -0.35 Na2SO4
Trona -7.61 -19.00 -11.38 Na3H(CO3)2:2H2O
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 21.
@ -3319,7 +3361,7 @@ S(6) 7.101e-01
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Anhydrite -0.01 -4.23 -4.22 CaSO4
Aragonite -0.19 -8.41 -8.22 CaCO3
@ -3362,6 +3404,8 @@ S(6) 7.101e-01
Thenardite -0.67 -1.02 -0.35 Na2SO4
Trona -7.66 -19.04 -11.38 Na3H(CO3)2:2H2O
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 22.
@ -3476,7 +3520,7 @@ S(6) 7.195e-01
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Anhydrite 0.00 -4.22 -4.22 CaSO4
Aragonite -0.19 -8.41 -8.22 CaCO3
@ -3519,6 +3563,8 @@ S(6) 7.195e-01
Thenardite -0.71 -1.06 -0.35 Na2SO4
Trona -7.75 -19.13 -11.38 Na3H(CO3)2:2H2O
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 23.
@ -3627,7 +3673,7 @@ S(6) 7.346e-01
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Anhydrite 0.00 -4.22 -4.22 CaSO4
Aragonite -0.19 -8.41 -8.22 CaCO3
@ -3670,6 +3716,8 @@ S(6) 7.346e-01
Thenardite -0.76 -1.11 -0.35 Na2SO4
Trona -7.83 -19.22 -11.38 Na3H(CO3)2:2H2O
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
------------------
End of simulation.

10
ex18.out
View File

@ -204,7 +204,7 @@ S(6) 1.600e-04
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(283 K, 1 atm)
Phase SI** log IAP log K(283 K, 1 atm)
Anhydrite -2.97 -7.09 -4.12 CaSO4
Aragonite -0.20 -8.46 -8.25 CaCO3
@ -221,6 +221,8 @@ S(6) 1.600e-04
Siderite -0.86 -11.66 -10.79 FeCO3
Sylvite -9.47 -9.47 0.00 KCl
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Initial solution 2. Mysse
@ -343,7 +345,7 @@ S(6) 1.986e-02
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(336 K, 1 atm)
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
@ -365,6 +367,8 @@ S(6) 1.986e-02
Sulfur -2.12 1.98 4.09 S
Sylvite -4.59 -4.59 0.00 KCl
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
---------------------------------------------
Beginning of inverse modeling 1 calculations.
@ -555,6 +559,6 @@ Reading input data for simulation 2.
------------------------------------
------------------------------
End of Run after 0.08 Seconds.
End of Run after 0.07 Seconds.
------------------------------

2
ex19.out
View File

@ -69,6 +69,6 @@ Reading input data for simulation 1.
PRINT
reset false
------------------------------
End of Run after 0.03 Seconds.
End of Run after 0.02 Seconds.
------------------------------

2
ex19b.out
View File

@ -23,6 +23,6 @@ Reading input data for simulation 1.
PRINT
reset false
------------------------------
End of Run after 0.13 Seconds.
End of Run after 0.12 Seconds.
------------------------------

210
ex2.out
View File

@ -99,12 +99,14 @@ O(0) 0.000e+00
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
H2(g) -22.05 -25.15 -3.10 H2
H2O(g) -1.50 0.00 1.50 H2O
O2(g) -39.19 -42.08 -2.89 O2
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
-----------------------------------------
Beginning of batch-reaction calculations.
@ -180,7 +182,7 @@ S(6) 1.508e-02
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Anhydrite -0.30 -4.58 -4.28 CaSO4
Gypsum 0.00 -4.58 -4.58 CaSO4:2H2O
@ -190,6 +192,8 @@ S(6) 1.508e-02
O2(g) -11.95 -14.84 -2.89 O2
Sulfur -87.58 -82.70 4.88 S
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 2.
@ -261,7 +265,7 @@ S(6) 1.513e-02
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(299 K, 1 atm)
Phase SI** log IAP log K(299 K, 1 atm)
Anhydrite -0.29 -4.58 -4.29 CaSO4
Gypsum 0.00 -4.58 -4.58 CaSO4:2H2O
@ -271,6 +275,8 @@ S(6) 1.513e-02
O2(g) -11.94 -14.84 -2.90 O2
Sulfur -87.20 -82.34 4.86 S
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 3.
@ -342,7 +348,7 @@ S(6) 1.517e-02
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(300 K, 1 atm)
Phase SI** log IAP log K(300 K, 1 atm)
Anhydrite -0.28 -4.58 -4.30 CaSO4
Gypsum 0.00 -4.58 -4.58 CaSO4:2H2O
@ -352,6 +358,8 @@ S(6) 1.517e-02
O2(g) -11.93 -14.84 -2.91 O2
Sulfur -86.81 -81.98 4.84 S
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 4.
@ -423,7 +431,7 @@ S(6) 1.520e-02
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(301 K, 1 atm)
Phase SI** log IAP log K(301 K, 1 atm)
Anhydrite -0.27 -4.58 -4.31 CaSO4
Gypsum 0.00 -4.58 -4.58 CaSO4:2H2O
@ -433,6 +441,8 @@ S(6) 1.520e-02
O2(g) -11.93 -14.84 -2.91 O2
Sulfur -86.43 -81.62 4.81 S
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 5.
@ -504,7 +514,7 @@ S(6) 1.524e-02
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(302 K, 1 atm)
Phase SI** log IAP log K(302 K, 1 atm)
Anhydrite -0.26 -4.58 -4.32 CaSO4
Gypsum 0.00 -4.58 -4.58 CaSO4:2H2O
@ -514,6 +524,8 @@ S(6) 1.524e-02
O2(g) -11.92 -14.84 -2.92 O2
Sulfur -86.05 -81.26 4.79 S
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 6.
@ -585,7 +597,7 @@ S(6) 1.527e-02
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(303 K, 1 atm)
Phase SI** log IAP log K(303 K, 1 atm)
Anhydrite -0.25 -4.58 -4.33 CaSO4
Gypsum 0.00 -4.58 -4.58 CaSO4:2H2O
@ -595,6 +607,8 @@ S(6) 1.527e-02
O2(g) -11.91 -14.84 -2.93 O2
Sulfur -85.68 -80.91 4.77 S
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 7.
@ -666,7 +680,7 @@ S(6) 1.529e-02
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(304 K, 1 atm)
Phase SI** log IAP log K(304 K, 1 atm)
Anhydrite -0.24 -4.58 -4.35 CaSO4
Gypsum 0.00 -4.58 -4.58 CaSO4:2H2O
@ -676,6 +690,8 @@ S(6) 1.529e-02
O2(g) -11.90 -14.84 -2.93 O2
Sulfur -85.31 -80.56 4.74 S
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 8.
@ -747,7 +763,7 @@ S(6) 1.532e-02
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(305 K, 1 atm)
Phase SI** log IAP log K(305 K, 1 atm)
Anhydrite -0.23 -4.59 -4.36 CaSO4
Gypsum 0.00 -4.59 -4.59 CaSO4:2H2O
@ -757,6 +773,8 @@ S(6) 1.532e-02
O2(g) -11.90 -14.84 -2.94 O2
Sulfur -84.94 -80.21 4.72 S
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 9.
@ -828,7 +846,7 @@ S(6) 1.534e-02
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(306 K, 1 atm)
Phase SI** log IAP log K(306 K, 1 atm)
Anhydrite -0.22 -4.59 -4.37 CaSO4
Gypsum 0.00 -4.59 -4.59 CaSO4:2H2O
@ -838,6 +856,8 @@ S(6) 1.534e-02
O2(g) -11.89 -14.84 -2.95 O2
Sulfur -84.56 -79.86 4.70 S
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 10.
@ -909,7 +929,7 @@ S(6) 1.536e-02
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(307 K, 1 atm)
Phase SI** log IAP log K(307 K, 1 atm)
Anhydrite -0.21 -4.59 -4.38 CaSO4
Gypsum 0.00 -4.59 -4.59 CaSO4:2H2O
@ -919,6 +939,8 @@ S(6) 1.536e-02
O2(g) -11.89 -14.84 -2.95 O2
Sulfur -84.20 -79.52 4.68 S
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 11.
@ -990,7 +1012,7 @@ S(6) 1.537e-02
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(308 K, 1 atm)
Phase SI** log IAP log K(308 K, 1 atm)
Anhydrite -0.20 -4.59 -4.39 CaSO4
Gypsum 0.00 -4.59 -4.59 CaSO4:2H2O
@ -1000,6 +1022,8 @@ S(6) 1.537e-02
O2(g) -11.88 -14.84 -2.96 O2
Sulfur -83.84 -79.18 4.66 S
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 12.
@ -1071,7 +1095,7 @@ S(6) 1.538e-02
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(309 K, 1 atm)
Phase SI** log IAP log K(309 K, 1 atm)
Anhydrite -0.19 -4.59 -4.40 CaSO4
Gypsum 0.00 -4.59 -4.59 CaSO4:2H2O
@ -1081,6 +1105,8 @@ S(6) 1.538e-02
O2(g) -11.87 -14.84 -2.96 O2
Sulfur -83.48 -78.84 4.63 S
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 13.
@ -1152,7 +1178,7 @@ S(6) 1.539e-02
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(310 K, 1 atm)
Phase SI** log IAP log K(310 K, 1 atm)
Anhydrite -0.18 -4.59 -4.42 CaSO4
Gypsum 0.00 -4.59 -4.59 CaSO4:2H2O
@ -1162,6 +1188,8 @@ S(6) 1.539e-02
O2(g) -11.87 -14.84 -2.97 O2
Sulfur -83.11 -78.50 4.61 S
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 14.
@ -1233,7 +1261,7 @@ S(6) 1.540e-02
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(311 K, 1 atm)
Phase SI** log IAP log K(311 K, 1 atm)
Anhydrite -0.17 -4.59 -4.43 CaSO4
Gypsum 0.00 -4.59 -4.59 CaSO4:2H2O
@ -1243,6 +1271,8 @@ S(6) 1.540e-02
O2(g) -11.87 -14.84 -2.97 O2
Sulfur -82.75 -78.16 4.59 S
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 15.
@ -1314,7 +1344,7 @@ S(6) 1.540e-02
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(312 K, 1 atm)
Phase SI** log IAP log K(312 K, 1 atm)
Anhydrite -0.16 -4.60 -4.44 CaSO4
Gypsum 0.00 -4.60 -4.60 CaSO4:2H2O
@ -1324,6 +1354,8 @@ S(6) 1.540e-02
O2(g) -11.73 -14.71 -2.98 O2
Sulfur -82.60 -78.03 4.57 S
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 16.
@ -1395,7 +1427,7 @@ S(6) 1.540e-02
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(313 K, 1 atm)
Phase SI** log IAP log K(313 K, 1 atm)
Anhydrite -0.15 -4.60 -4.45 CaSO4
Gypsum 0.00 -4.60 -4.60 CaSO4:2H2O
@ -1405,6 +1437,8 @@ S(6) 1.540e-02
O2(g) -11.82 -14.81 -2.98 O2
Sulfur -82.09 -77.55 4.55 S
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 17.
@ -1476,7 +1510,7 @@ S(6) 1.540e-02
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(314 K, 1 atm)
Phase SI** log IAP log K(314 K, 1 atm)
Anhydrite -0.14 -4.60 -4.46 CaSO4
Gypsum 0.00 -4.60 -4.60 CaSO4:2H2O
@ -1486,6 +1520,8 @@ S(6) 1.540e-02
O2(g) -11.85 -14.84 -2.99 O2
Sulfur -81.70 -77.17 4.53 S
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 18.
@ -1557,7 +1593,7 @@ S(6) 1.540e-02
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(315 K, 1 atm)
Phase SI** log IAP log K(315 K, 1 atm)
Anhydrite -0.13 -4.60 -4.48 CaSO4
Gypsum 0.00 -4.60 -4.60 CaSO4:2H2O
@ -1567,6 +1603,8 @@ S(6) 1.540e-02
O2(g) -11.84 -14.84 -2.99 O2
Sulfur -81.35 -76.85 4.51 S
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 19.
@ -1638,7 +1676,7 @@ S(6) 1.539e-02
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(316 K, 1 atm)
Phase SI** log IAP log K(316 K, 1 atm)
Anhydrite -0.12 -4.60 -4.49 CaSO4
Gypsum 0.00 -4.60 -4.60 CaSO4:2H2O
@ -1648,6 +1686,8 @@ S(6) 1.539e-02
O2(g) -11.84 -14.84 -3.00 O2
Sulfur -81.01 -76.52 4.49 S
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 20.
@ -1719,7 +1759,7 @@ S(6) 1.538e-02
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(317 K, 1 atm)
Phase SI** log IAP log K(317 K, 1 atm)
Anhydrite -0.11 -4.61 -4.50 CaSO4
Gypsum 0.00 -4.61 -4.61 CaSO4:2H2O
@ -1729,6 +1769,8 @@ S(6) 1.538e-02
O2(g) -11.83 -14.84 -3.00 O2
Sulfur -80.66 -76.20 4.46 S
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 21.
@ -1800,7 +1842,7 @@ S(6) 1.537e-02
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(318 K, 1 atm)
Phase SI** log IAP log K(318 K, 1 atm)
Anhydrite -0.10 -4.61 -4.51 CaSO4
Gypsum 0.00 -4.61 -4.61 CaSO4:2H2O
@ -1810,6 +1852,8 @@ S(6) 1.537e-02
O2(g) -11.83 -14.84 -3.01 O2
Sulfur -80.33 -75.88 4.44 S
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 22.
@ -1881,7 +1925,7 @@ S(6) 1.535e-02
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(319 K, 1 atm)
Phase SI** log IAP log K(319 K, 1 atm)
Anhydrite -0.09 -4.61 -4.53 CaSO4
Gypsum 0.00 -4.61 -4.61 CaSO4:2H2O
@ -1891,6 +1935,8 @@ S(6) 1.535e-02
O2(g) -11.83 -14.84 -3.01 O2
Sulfur -79.98 -75.56 4.42 S
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 23.
@ -1962,7 +2008,7 @@ S(6) 1.533e-02
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(320 K, 1 atm)
Phase SI** log IAP log K(320 K, 1 atm)
Anhydrite -0.08 -4.61 -4.54 CaSO4
Gypsum 0.00 -4.61 -4.61 CaSO4:2H2O
@ -1972,6 +2018,8 @@ S(6) 1.533e-02
O2(g) -11.70 -14.72 -3.02 O2
Sulfur -79.83 -75.43 4.40 S
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 24.
@ -2043,7 +2091,7 @@ S(6) 1.531e-02
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(321 K, 1 atm)
Phase SI** log IAP log K(321 K, 1 atm)
Anhydrite -0.07 -4.62 -4.55 CaSO4
Gypsum 0.00 -4.62 -4.62 CaSO4:2H2O
@ -2053,6 +2101,8 @@ S(6) 1.531e-02
O2(g) -11.81 -14.84 -3.02 O2
Sulfur -79.32 -74.93 4.38 S
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 25.
@ -2124,7 +2174,7 @@ S(6) 1.529e-02
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(322 K, 1 atm)
Phase SI** log IAP log K(322 K, 1 atm)
Anhydrite -0.06 -4.62 -4.56 CaSO4
Gypsum 0.00 -4.62 -4.62 CaSO4:2H2O
@ -2134,6 +2184,8 @@ S(6) 1.529e-02
O2(g) -11.81 -14.83 -3.03 O2
Sulfur -78.99 -74.62 4.36 S
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 26.
@ -2205,7 +2257,7 @@ S(6) 1.526e-02
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(323 K, 1 atm)
Phase SI** log IAP log K(323 K, 1 atm)
Anhydrite -0.05 -4.62 -4.58 CaSO4
Gypsum 0.00 -4.62 -4.62 CaSO4:2H2O
@ -2215,6 +2267,8 @@ S(6) 1.526e-02
O2(g) -11.81 -14.84 -3.03 O2
Sulfur -78.65 -74.31 4.34 S
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 27.
@ -2286,7 +2340,7 @@ S(6) 1.524e-02
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(324 K, 1 atm)
Phase SI** log IAP log K(324 K, 1 atm)
Anhydrite -0.04 -4.62 -4.59 CaSO4
Gypsum 0.00 -4.62 -4.62 CaSO4:2H2O
@ -2296,6 +2350,8 @@ S(6) 1.524e-02
O2(g) -54.70 -57.73 -3.03 O2
Sulfur -13.98 -9.66 4.32 S
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 28.
@ -2367,7 +2423,7 @@ S(6) 1.521e-02
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(325 K, 1 atm)
Phase SI** log IAP log K(325 K, 1 atm)
Anhydrite -0.03 -4.63 -4.60 CaSO4
Gypsum 0.00 -4.63 -4.63 CaSO4:2H2O
@ -2377,6 +2433,8 @@ S(6) 1.521e-02
O2(g) -11.80 -14.84 -3.04 O2
Sulfur -78.00 -73.69 4.30 S
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 29.
@ -2448,7 +2506,7 @@ S(6) 1.517e-02
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(326 K, 1 atm)
Phase SI** log IAP log K(326 K, 1 atm)
Anhydrite -0.02 -4.63 -4.61 CaSO4
Gypsum 0.00 -4.63 -4.63 CaSO4:2H2O
@ -2458,6 +2516,8 @@ S(6) 1.517e-02
O2(g) -54.15 -57.19 -3.04 O2
Sulfur -14.15 -9.86 4.28 S
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 30.
@ -2529,7 +2589,7 @@ S(6) 1.514e-02
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(327 K, 1 atm)
Phase SI** log IAP log K(327 K, 1 atm)
Anhydrite -0.01 -4.63 -4.63 CaSO4
Gypsum 0.00 -4.63 -4.63 CaSO4:2H2O
@ -2539,6 +2599,8 @@ S(6) 1.514e-02
O2(g) -53.88 -56.92 -3.05 O2
Sulfur -14.23 -9.96 4.26 S
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 31.
@ -2610,7 +2672,7 @@ S(6) 1.500e-02
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(328 K, 1 atm)
Phase SI** log IAP log K(328 K, 1 atm)
Anhydrite 0.00 -4.64 -4.64 CaSO4
Gypsum -0.00 -4.64 -4.64 CaSO4:2H2O
@ -2620,6 +2682,8 @@ S(6) 1.500e-02
O2(g) -11.83 -14.87 -3.05 O2
Sulfur -76.98 -72.74 4.25 S
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 32.
@ -2691,7 +2755,7 @@ S(6) 1.470e-02
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(329 K, 1 atm)
Phase SI** log IAP log K(329 K, 1 atm)
Anhydrite 0.00 -4.65 -4.65 CaSO4
Gypsum -0.01 -4.65 -4.64 CaSO4:2H2O
@ -2701,6 +2765,8 @@ S(6) 1.470e-02
O2(g) -11.82 -14.87 -3.05 O2
Sulfur -76.66 -72.44 4.23 S
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 33.
@ -2772,7 +2838,7 @@ S(6) 1.441e-02
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(330 K, 1 atm)
Phase SI** log IAP log K(330 K, 1 atm)
Anhydrite 0.00 -4.67 -4.67 CaSO4
Gypsum -0.02 -4.67 -4.64 CaSO4:2H2O
@ -2782,6 +2848,8 @@ S(6) 1.441e-02
O2(g) -11.82 -14.87 -3.06 O2
Sulfur -76.35 -72.15 4.21 S
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 34.
@ -2853,7 +2921,7 @@ S(6) 1.412e-02
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(331 K, 1 atm)
Phase SI** log IAP log K(331 K, 1 atm)
Anhydrite 0.00 -4.68 -4.68 CaSO4
Gypsum -0.03 -4.68 -4.65 CaSO4:2H2O
@ -2863,6 +2931,8 @@ S(6) 1.412e-02
O2(g) -11.81 -14.87 -3.06 O2
Sulfur -76.04 -71.85 4.19 S
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 35.
@ -2934,7 +3004,7 @@ S(6) 1.383e-02
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(332 K, 1 atm)
Phase SI** log IAP log K(332 K, 1 atm)
Anhydrite 0.00 -4.69 -4.69 CaSO4
Gypsum -0.04 -4.69 -4.65 CaSO4:2H2O
@ -2944,6 +3014,8 @@ S(6) 1.383e-02
O2(g) -11.81 -14.87 -3.06 O2
Sulfur -75.73 -71.56 4.17 S
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 36.
@ -3015,7 +3087,7 @@ S(6) 1.355e-02
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(333 K, 1 atm)
Phase SI** log IAP log K(333 K, 1 atm)
Anhydrite 0.00 -4.71 -4.71 CaSO4
Gypsum -0.05 -4.71 -4.65 CaSO4:2H2O
@ -3025,6 +3097,8 @@ S(6) 1.355e-02
O2(g) -11.68 -14.75 -3.06 O2
Sulfur -75.61 -71.46 4.15 S
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 37.
@ -3096,7 +3170,7 @@ S(6) 1.328e-02
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(334 K, 1 atm)
Phase SI** log IAP log K(334 K, 1 atm)
Anhydrite 0.00 -4.72 -4.72 CaSO4
Gypsum -0.06 -4.72 -4.66 CaSO4:2H2O
@ -3106,6 +3180,8 @@ S(6) 1.328e-02
O2(g) -11.81 -14.88 -3.07 O2
Sulfur -75.11 -70.98 4.13 S
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 38.
@ -3177,7 +3253,7 @@ S(6) 1.300e-02
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(335 K, 1 atm)
Phase SI** log IAP log K(335 K, 1 atm)
Anhydrite 0.00 -4.73 -4.73 CaSO4
Gypsum -0.07 -4.73 -4.66 CaSO4:2H2O
@ -3187,6 +3263,8 @@ S(6) 1.300e-02
O2(g) -11.80 -14.87 -3.07 O2
Sulfur -74.81 -70.70 4.11 S
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 39.
@ -3258,7 +3336,7 @@ S(6) 1.274e-02
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(336 K, 1 atm)
Phase SI** log IAP log K(336 K, 1 atm)
Anhydrite 0.00 -4.75 -4.75 CaSO4
Gypsum -0.08 -4.75 -4.67 CaSO4:2H2O
@ -3268,6 +3346,8 @@ S(6) 1.274e-02
O2(g) -11.80 -14.87 -3.07 O2
Sulfur -74.52 -70.42 4.09 S
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 40.
@ -3339,7 +3419,7 @@ S(6) 1.247e-02
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(337 K, 1 atm)
Phase SI** log IAP log K(337 K, 1 atm)
Anhydrite 0.00 -4.76 -4.76 CaSO4
Gypsum -0.09 -4.76 -4.67 CaSO4:2H2O
@ -3349,6 +3429,8 @@ S(6) 1.247e-02
O2(g) -11.79 -14.87 -3.08 O2
Sulfur -74.22 -70.14 4.08 S
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 41.
@ -3420,7 +3502,7 @@ S(6) 1.222e-02
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(338 K, 1 atm)
Phase SI** log IAP log K(338 K, 1 atm)
Anhydrite 0.00 -4.77 -4.77 CaSO4
Gypsum -0.10 -4.77 -4.67 CaSO4:2H2O
@ -3430,6 +3512,8 @@ S(6) 1.222e-02
O2(g) -11.79 -14.87 -3.08 O2
Sulfur -73.92 -69.86 4.06 S
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 42.
@ -3501,7 +3585,7 @@ S(6) 1.196e-02
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(339 K, 1 atm)
Phase SI** log IAP log K(339 K, 1 atm)
Anhydrite 0.00 -4.79 -4.79 CaSO4
Gypsum -0.11 -4.79 -4.68 CaSO4:2H2O
@ -3511,6 +3595,8 @@ S(6) 1.196e-02
O2(g) -11.79 -14.87 -3.08 O2
Sulfur -73.62 -69.58 4.04 S
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 43.
@ -3582,7 +3668,7 @@ S(6) 1.171e-02
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(340 K, 1 atm)
Phase SI** log IAP log K(340 K, 1 atm)
Anhydrite 0.00 -4.80 -4.80 CaSO4
Gypsum -0.12 -4.80 -4.68 CaSO4:2H2O
@ -3592,6 +3678,8 @@ S(6) 1.171e-02
O2(g) -11.79 -14.87 -3.08 O2
Sulfur -73.33 -69.31 4.02 S
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 44.
@ -3663,7 +3751,7 @@ S(6) 1.147e-02
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(341 K, 1 atm)
Phase SI** log IAP log K(341 K, 1 atm)
Anhydrite 0.00 -4.81 -4.81 CaSO4
Gypsum -0.13 -4.81 -4.69 CaSO4:2H2O
@ -3673,6 +3761,8 @@ S(6) 1.147e-02
O2(g) -11.79 -14.87 -3.08 O2
Sulfur -73.03 -69.03 4.00 S
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 45.
@ -3744,7 +3834,7 @@ S(6) 1.123e-02
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(342 K, 1 atm)
Phase SI** log IAP log K(342 K, 1 atm)
Anhydrite 0.00 -4.83 -4.83 CaSO4
Gypsum -0.14 -4.83 -4.69 CaSO4:2H2O
@ -3754,6 +3844,8 @@ S(6) 1.123e-02
O2(g) -11.78 -14.87 -3.09 O2
Sulfur -72.74 -68.75 3.99 S
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 46.
@ -3825,7 +3917,7 @@ S(6) 1.099e-02
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(343 K, 1 atm)
Phase SI** log IAP log K(343 K, 1 atm)
Anhydrite 0.00 -4.84 -4.84 CaSO4
Gypsum -0.15 -4.84 -4.69 CaSO4:2H2O
@ -3835,6 +3927,8 @@ S(6) 1.099e-02
O2(g) -11.78 -14.87 -3.09 O2
Sulfur -72.45 -68.48 3.97 S
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 47.
@ -3906,7 +4000,7 @@ S(6) 1.076e-02
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(344 K, 1 atm)
Phase SI** log IAP log K(344 K, 1 atm)
Anhydrite 0.00 -4.85 -4.85 CaSO4
Gypsum -0.15 -4.85 -4.70 CaSO4:2H2O
@ -3916,6 +4010,8 @@ S(6) 1.076e-02
O2(g) -11.78 -14.87 -3.09 O2
Sulfur -72.16 -68.21 3.95 S
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 48.
@ -3987,7 +4083,7 @@ S(6) 1.054e-02
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(345 K, 1 atm)
Phase SI** log IAP log K(345 K, 1 atm)
Anhydrite 0.00 -4.87 -4.87 CaSO4
Gypsum -0.16 -4.87 -4.70 CaSO4:2H2O
@ -3997,6 +4093,8 @@ S(6) 1.054e-02
O2(g) -11.78 -14.87 -3.09 O2
Sulfur -71.87 -67.94 3.93 S
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 49.
@ -4068,7 +4166,7 @@ S(6) 1.031e-02
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(346 K, 1 atm)
Phase SI** log IAP log K(346 K, 1 atm)
Anhydrite 0.00 -4.88 -4.88 CaSO4
Gypsum -0.17 -4.88 -4.71 CaSO4:2H2O
@ -4078,6 +4176,8 @@ S(6) 1.031e-02
O2(g) -11.78 -14.88 -3.09 O2
Sulfur -71.58 -67.67 3.92 S
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 50.
@ -4149,7 +4249,7 @@ S(6) 1.010e-02
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(347 K, 1 atm)
Phase SI** log IAP log K(347 K, 1 atm)
Anhydrite 0.00 -4.89 -4.89 CaSO4
Gypsum -0.18 -4.89 -4.71 CaSO4:2H2O
@ -4159,6 +4259,8 @@ S(6) 1.010e-02
O2(g) -11.78 -14.87 -3.10 O2
Sulfur -71.30 -67.41 3.90 S
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 51.
@ -4230,7 +4332,7 @@ S(6) 9.882e-03
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(348 K, 1 atm)
Phase SI** log IAP log K(348 K, 1 atm)
Anhydrite 0.00 -4.91 -4.91 CaSO4
Gypsum -0.19 -4.91 -4.72 CaSO4:2H2O
@ -4240,6 +4342,8 @@ S(6) 9.882e-03
O2(g) -11.78 -14.87 -3.10 O2
Sulfur -71.02 -67.14 3.88 S
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
------------------
End of simulation.
@ -4250,6 +4354,6 @@ Reading input data for simulation 2.
------------------------------------
------------------------------
End of Run after 0.05 Seconds.
End of Run after 0.04 Seconds.
------------------------------

8
ex20a.out
View File

@ -123,7 +123,7 @@ O(0) 1.049e-37
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Calcite -0.00 -8.48 -8.48 CaCO3
CH4(g) -74.93 -77.79 -2.86 CH4
@ -132,6 +132,8 @@ O(0) 1.049e-37
H2O(g) -1.51 -0.00 1.51 H2O
O2(g) -34.39 -37.28 -2.89 O2
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
------------------
End of simulation.
@ -398,7 +400,7 @@ O(0) 0.000e+00
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
[13C][18O]2(g) -10.43 -11.94 -1.50 [13C][18O]2
[13C]D4(g) -40.88 -43.74 -2.86 [13C]D4
@ -437,6 +439,8 @@ O(0) 0.000e+00
O2(g) -60.01 -62.90 -2.89 O2
O[18O](g) -62.71 -65.60 -2.89 O[18O]
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
------------------
End of simulation.

808
ex20b.out
View File

File diff suppressed because it is too large Load Diff

10
ex21.out
View File

@ -143,13 +143,15 @@ O(0) 0.000e+00
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
H2(g) -22.05 -25.15 -3.10 H2
H2O(g) -1.50 -0.00 1.50 H2O
Halite -7.60 -6.03 1.57 NaCl
O2(g) -39.19 -42.08 -2.89 O2
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
------------------
End of simulation.
@ -516,7 +518,7 @@ Sr 5.050e-04
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(296 K, 1 atm)
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
@ -532,6 +534,8 @@ Sr 5.050e-04
Strontianite -0.94 -10.21 -9.27 SrCO3
Sylvite -4.55 -3.67 0.88 KCl
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
------------------
End of simulation.
@ -957,6 +961,6 @@ WARNING: No dispersivities were read; disp = 0 assumed.
END
END
-------------------------------
End of Run after 20.92 Seconds.
End of Run after 20.93 Seconds.
-------------------------------

454
ex22.out
View File

File diff suppressed because it is too large Load Diff

2
ex2b.out
View File

@ -24,6 +24,6 @@ Reading input data for simulation 1.
PRINT
reset false
------------------------------
End of Run after 0.04 Seconds.
End of Run after 0.03 Seconds.
------------------------------

26
ex3.out
View File

@ -81,12 +81,14 @@ O(0) 0.000e+00
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
H2(g) -22.05 -25.15 -3.10 H2
H2O(g) -1.50 0.00 1.50 H2O
O2(g) -39.19 -42.08 -2.89 O2
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
-----------------------------------------
Beginning of batch-reaction calculations.
@ -159,7 +161,7 @@ O(0) 0.000e+00
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Aragonite -0.14 -8.48 -8.34 CaCO3
Calcite 0.00 -8.48 -8.48 CaCO3
@ -169,6 +171,8 @@ O(0) 0.000e+00
H2O(g) -1.50 -0.00 1.50 H2O
O2(g) -60.30 -63.19 -2.89 O2
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
------------------
End of simulation.
@ -299,7 +303,7 @@ Si 7.382e-05
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
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
@ -320,6 +324,8 @@ Si 7.382e-05
Sylvite -3.54 -2.64 0.90 KCl
Talc 6.03 27.43 21.40 Mg3Si4O10(OH)2
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
------------------
End of simulation.
@ -453,7 +459,7 @@ Si 2.215e-05
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Anhydrite -1.42 -5.70 -4.28 CaSO4
Aragonite -0.25 -8.59 -8.34 CaCO3
@ -477,6 +483,8 @@ Si 2.215e-05
Sylvite -4.47 -3.57 0.90 KCl
Talc -2.79 18.61 21.40 Mg3Si4O10(OH)2
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
------------------
End of simulation.
@ -614,7 +622,7 @@ Si 2.215e-05
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Anhydrite -0.97 -5.25 -4.28 CaSO4
Aragonite -0.14 -8.48 -8.34 CaCO3
@ -638,6 +646,8 @@ Si 2.215e-05
Sylvite -4.47 -3.57 0.90 KCl
Talc -5.37 16.03 21.40 Mg3Si4O10(OH)2
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
------------------
End of simulation.
@ -773,7 +783,7 @@ Si 2.215e-05
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Anhydrite -1.42 -5.70 -4.28 CaSO4
Aragonite -0.14 -8.48 -8.34 CaCO3
@ -797,6 +807,8 @@ Si 2.215e-05
Sylvite -4.47 -3.57 0.90 KCl
Talc -2.23 19.17 21.40 Mg3Si4O10(OH)2
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
------------------
End of simulation.
@ -807,6 +819,6 @@ Reading input data for simulation 6.
------------------------------------
------------------------------
End of Run after 0.02 Seconds.
End of Run after 0.01 Seconds.
------------------------------

14
ex4.out
View File

@ -153,7 +153,7 @@ S(6) 1.353e-05
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Anhydrite -5.65 -9.93 -4.28 CaSO4
Aragonite -9.34 -17.68 -8.34 CaCO3
@ -168,6 +168,8 @@ S(6) 1.353e-05
O2(g) -49.19 -52.08 -2.89 O2
Sylvite -12.12 -11.22 0.90 KCl
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
-----------------------------------------
Beginning of batch-reaction calculations.
@ -298,7 +300,7 @@ S(6) 2.706e-04
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Anhydrite -3.21 -7.49 -4.28 CaSO4
Aragonite -9.51 -17.84 -8.34 CaCO3
@ -317,6 +319,8 @@ S(6) 2.706e-04
Sulfur -92.33 -87.45 4.88 S
Sylvite -9.55 -8.65 0.90 KCl
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
------------------
End of simulation.
@ -455,7 +459,7 @@ S(6) 2.706e-04
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Anhydrite -3.21 -7.49 -4.28 CaSO4
Aragonite -9.51 -17.84 -8.34 CaCO3
@ -474,6 +478,8 @@ S(6) 2.706e-04
Sulfur -92.33 -87.45 4.88 S
Sylvite -9.55 -8.65 0.90 KCl
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
------------------
End of simulation.
@ -484,6 +490,6 @@ Reading input data for simulation 3.
------------------------------------
------------------------------
End of Run after 0.02 Seconds.
End of Run after 0.01 Seconds.
------------------------------

30
ex5.out
View File

@ -103,12 +103,14 @@ O(0) 0.000e+00
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
H2(g) -22.05 -25.15 -3.10 H2
H2O(g) -1.50 0.00 1.50 H2O
O2(g) -39.19 -42.08 -2.89 O2
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
-----------------------------------------
Beginning of batch-reaction calculations.
@ -245,7 +247,7 @@ S(6) 6.024e-08
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Anhydrite -6.43 -10.71 -4.28 CaSO4
Aragonite -0.14 -8.48 -8.34 CaCO3
@ -267,6 +269,8 @@ S(6) 6.024e-08
Siderite -2.07 -12.96 -10.89 FeCO3
Sulfur -8.18 -3.30 4.88 S
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 2.
@ -420,7 +424,7 @@ S(6) 5.333e-04
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Anhydrite -2.32 -6.59 -4.28 CaSO4
Aragonite -0.14 -8.48 -8.34 CaCO3
@ -443,6 +447,8 @@ S(6) 5.333e-04
Siderite -2.62 -13.51 -10.89 FeCO3
Sulfur -7.36 -2.48 4.88 S
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 3.
@ -596,7 +602,7 @@ S(6) 2.667e-03
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Anhydrite -1.35 -5.63 -4.28 CaSO4
Aragonite -0.14 -8.48 -8.34 CaCO3
@ -619,6 +625,8 @@ S(6) 2.667e-03
Siderite -2.75 -13.64 -10.89 FeCO3
Sulfur -7.17 -2.29 4.88 S
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 4.
@ -772,7 +780,7 @@ S(6) 5.333e-03
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Anhydrite -0.94 -5.22 -4.28 CaSO4
Aragonite -0.14 -8.48 -8.34 CaCO3
@ -795,6 +803,8 @@ S(6) 5.333e-03
Siderite -2.80 -13.69 -10.89 FeCO3
Sulfur -7.09 -2.20 4.88 S
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 5.
@ -948,7 +958,7 @@ S(6) 1.600e-02
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Anhydrite -0.32 -4.59 -4.28 CaSO4
Aragonite -0.14 -8.48 -8.34 CaCO3
@ -971,6 +981,8 @@ S(6) 1.600e-02
Siderite -2.88 -13.77 -10.89 FeCO3
Sulfur -6.96 -2.08 4.88 S
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 6.
@ -1124,7 +1136,7 @@ S(6) 1.713e-02
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Anhydrite -0.30 -4.58 -4.28 CaSO4
Aragonite -0.14 -8.48 -8.34 CaCO3
@ -1147,6 +1159,8 @@ S(6) 1.713e-02
Siderite -2.89 -13.78 -10.89 FeCO3
Sulfur -6.96 -2.08 4.88 S
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
------------------
End of simulation.
@ -1157,6 +1171,6 @@ Reading input data for simulation 2.
------------------------------------
------------------------------
End of Run after 0.03 Seconds.
End of Run after 0.02 Seconds.
------------------------------

150
ex6.out
View File

@ -99,12 +99,14 @@ O(0) 0.000e+00
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
H2(g) -22.04 -25.14 -3.10 H2
H2O(g) -1.50 -0.00 1.50 H2O
O2(g) -39.20 -42.09 -2.89 O2
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
------------------
End of simulation.
@ -212,7 +214,7 @@ Si 7.974e-08
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Al(OH)3(a) -2.75 8.05 10.80 Al(OH)3
Chalcedony -3.55 -7.10 -3.55 SiO2
@ -226,6 +228,8 @@ Si 7.974e-08
Quartz -3.12 -7.10 -3.98 SiO2
SiO2(a) -4.39 -7.10 -2.71 SiO2
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
------------------
End of simulation.
@ -326,7 +330,7 @@ Si 6.535e-06
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Al(OH)3(a) -2.75 8.05 10.80 Al(OH)3
Chalcedony -1.64 -5.20 -3.55 SiO2
@ -340,6 +344,8 @@ Si 6.535e-06
Quartz -1.21 -5.20 -3.98 SiO2
SiO2(a) -2.48 -5.20 -2.71 SiO2
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
------------------
End of simulation.
@ -440,7 +446,7 @@ Si 4.078e-05
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Al(OH)3(a) -3.48 7.32 10.80 Al(OH)3
Chalcedony -0.91 -4.46 -3.55 SiO2
@ -454,6 +460,8 @@ Si 4.078e-05
Quartz -0.48 -4.46 -3.98 SiO2
SiO2(a) -1.75 -4.46 -2.71 SiO2
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
------------------
End of simulation.
@ -554,7 +562,7 @@ Si 3.819e-04
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Al(OH)3(a) -4.75 6.05 10.80 Al(OH)3
Chalcedony -0.00 -3.55 -3.55 SiO2
@ -568,6 +576,8 @@ Si 3.819e-04
Quartz 0.43 -3.55 -3.98 SiO2
SiO2(a) -0.84 -3.55 -2.71 SiO2
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
------------------
End of simulation.
@ -664,7 +674,7 @@ Si 6.594e-06
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Al(OH)3(a) -2.75 8.05 10.80 Al(OH)3
Chalcedony -1.64 -5.20 -3.55 SiO2
@ -678,6 +688,8 @@ Si 6.594e-06
Quartz -1.21 -5.20 -3.98 SiO2
SiO2(a) -2.48 -5.20 -2.71 SiO2
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
------------------
End of simulation.
@ -774,7 +786,7 @@ Si 6.595e-05
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Al(OH)3(a) -3.70 7.10 10.80 Al(OH)3
Chalcedony -0.70 -4.25 -3.55 SiO2
@ -788,6 +800,8 @@ Si 6.595e-05
Quartz -0.27 -4.25 -3.98 SiO2
SiO2(a) -1.54 -4.25 -2.71 SiO2
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
------------------
End of simulation.
@ -909,7 +923,7 @@ Si 1.200e-07
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Al(OH)3(a) -2.75 8.05 10.80 Al(OH)3
Chalcedony -3.37 -6.92 -3.55 SiO2
@ -923,6 +937,8 @@ Si 1.200e-07
Quartz -2.94 -6.92 -3.98 SiO2
SiO2(a) -4.21 -6.92 -2.71 SiO2
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 2.
@ -1011,7 +1027,7 @@ Si 2.400e-07
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Al(OH)3(a) -2.75 8.05 10.80 Al(OH)3
Chalcedony -3.07 -6.62 -3.55 SiO2
@ -1025,6 +1041,8 @@ Si 2.400e-07
Quartz -2.64 -6.62 -3.98 SiO2
SiO2(a) -3.91 -6.62 -2.71 SiO2
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 3.
@ -1113,7 +1131,7 @@ Si 4.800e-07
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Al(OH)3(a) -2.75 8.05 10.80 Al(OH)3
Chalcedony -2.77 -6.32 -3.55 SiO2
@ -1127,6 +1145,8 @@ Si 4.800e-07
Quartz -2.34 -6.32 -3.98 SiO2
SiO2(a) -3.61 -6.32 -2.71 SiO2
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 4.
@ -1215,7 +1235,7 @@ Si 9.600e-07
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Al(OH)3(a) -2.75 8.05 10.80 Al(OH)3
Chalcedony -2.47 -6.02 -3.55 SiO2
@ -1229,6 +1249,8 @@ Si 9.600e-07
Quartz -2.04 -6.02 -3.98 SiO2
SiO2(a) -3.31 -6.02 -2.71 SiO2
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 5.
@ -1317,7 +1339,7 @@ Si 1.920e-06
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Al(OH)3(a) -2.75 8.05 10.80 Al(OH)3
Chalcedony -2.17 -5.72 -3.55 SiO2
@ -1331,6 +1353,8 @@ Si 1.920e-06
Quartz -1.74 -5.72 -3.98 SiO2
SiO2(a) -3.01 -5.72 -2.71 SiO2
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 6.
@ -1419,7 +1443,7 @@ Si 3.000e-06
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Al(OH)3(a) -2.75 8.05 10.80 Al(OH)3
Chalcedony -1.98 -5.53 -3.55 SiO2
@ -1433,6 +1457,8 @@ Si 3.000e-06
Quartz -1.55 -5.53 -3.98 SiO2
SiO2(a) -2.82 -5.53 -2.71 SiO2
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 7.
@ -1521,7 +1547,7 @@ Si 6.000e-06
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Al(OH)3(a) -2.75 8.05 10.80 Al(OH)3
Chalcedony -1.68 -5.23 -3.55 SiO2
@ -1535,6 +1561,8 @@ Si 6.000e-06
Quartz -1.25 -5.23 -3.98 SiO2
SiO2(a) -2.52 -5.23 -2.71 SiO2
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 8.
@ -1623,7 +1651,7 @@ Si 8.571e-06
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Al(OH)3(a) -2.86 7.94 10.80 Al(OH)3
Chalcedony -1.53 -5.09 -3.55 SiO2
@ -1637,6 +1665,8 @@ Si 8.571e-06
Quartz -1.11 -5.09 -3.98 SiO2
SiO2(a) -2.37 -5.09 -2.71 SiO2
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 9.
@ -1725,7 +1755,7 @@ Si 1.661e-05
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Al(OH)3(a) -3.13 7.67 10.80 Al(OH)3
Chalcedony -1.27 -4.82 -3.55 SiO2
@ -1739,6 +1769,8 @@ Si 1.661e-05
Quartz -0.84 -4.82 -3.98 SiO2
SiO2(a) -2.10 -4.82 -2.71 SiO2
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 10.
@ -1827,7 +1859,7 @@ Si 3.259e-05
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Al(OH)3(a) -3.39 7.41 10.80 Al(OH)3
Chalcedony -1.00 -4.55 -3.55 SiO2
@ -1841,6 +1873,8 @@ Si 3.259e-05
Quartz -0.57 -4.55 -3.98 SiO2
SiO2(a) -1.84 -4.55 -2.71 SiO2
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 11.
@ -1929,7 +1963,7 @@ Si 6.433e-05
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Al(OH)3(a) -3.68 7.12 10.80 Al(OH)3
Chalcedony -0.71 -4.26 -3.55 SiO2
@ -1943,6 +1977,8 @@ Si 6.433e-05
Quartz -0.28 -4.26 -3.98 SiO2
SiO2(a) -1.55 -4.26 -2.71 SiO2
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 12.
@ -2031,7 +2067,7 @@ Si 1.282e-04
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Al(OH)3(a) -4.10 6.70 10.80 Al(OH)3
Chalcedony -0.44 -3.99 -3.55 SiO2
@ -2045,6 +2081,8 @@ Si 1.282e-04
Quartz -0.01 -3.99 -3.98 SiO2
SiO2(a) -1.28 -3.99 -2.71 SiO2
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 13.
@ -2133,7 +2171,7 @@ Si 2.001e-04
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Al(OH)3(a) -4.37 6.43 10.80 Al(OH)3
Chalcedony -0.26 -3.81 -3.55 SiO2
@ -2147,6 +2185,8 @@ Si 2.001e-04
Quartz 0.17 -3.81 -3.98 SiO2
SiO2(a) -1.10 -3.81 -2.71 SiO2
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 14.
@ -2235,7 +2275,7 @@ Si 3.819e-04
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Al(OH)3(a) -4.75 6.05 10.80 Al(OH)3
Chalcedony -0.00 -3.55 -3.55 SiO2
@ -2249,6 +2289,8 @@ Si 3.819e-04
Quartz 0.43 -3.55 -3.98 SiO2
SiO2(a) -0.84 -3.55 -2.71 SiO2
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
------------------
End of simulation.
@ -2411,7 +2453,7 @@ Si 3.000e-13
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Al(OH)3(a) -8.17 2.63 10.80 Al(OH)3
Chalcedony -8.97 -12.52 -3.55 SiO2
@ -2425,6 +2467,8 @@ Si 3.000e-13
Quartz -8.54 -12.52 -3.98 SiO2
SiO2(a) -9.81 -12.52 -2.71 SiO2
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
-----------------------------------------
Beginning of batch-reaction calculations.
@ -2514,7 +2558,7 @@ Si 3.797e-09
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Al(OH)3(a) -4.07 6.73 10.80 Al(OH)3
Chalcedony -4.87 -8.42 -3.55 SiO2
@ -2528,6 +2572,8 @@ Si 3.797e-09
Quartz -4.44 -8.42 -3.98 SiO2
SiO2(a) -5.71 -8.42 -2.71 SiO2
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 2.
@ -2613,7 +2659,7 @@ Si 4.176e-08
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Al(OH)3(a) -3.03 7.77 10.80 Al(OH)3
Chalcedony -3.83 -7.38 -3.55 SiO2
@ -2627,6 +2673,8 @@ Si 4.176e-08
Quartz -3.40 -7.38 -3.98 SiO2
SiO2(a) -4.67 -7.38 -2.71 SiO2
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 3.
@ -2713,7 +2761,7 @@ Si 4.214e-07
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Al(OH)3(a) -2.75 8.05 10.80 Al(OH)3
Chalcedony -2.82 -6.38 -3.55 SiO2
@ -2727,6 +2775,8 @@ Si 4.214e-07
Quartz -2.40 -6.38 -3.98 SiO2
SiO2(a) -3.66 -6.38 -2.71 SiO2
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 4.
@ -2813,7 +2863,7 @@ Si 4.218e-06
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Al(OH)3(a) -2.75 8.05 10.80 Al(OH)3
Chalcedony -1.83 -5.38 -3.55 SiO2
@ -2827,6 +2877,8 @@ Si 4.218e-06
Quartz -1.40 -5.38 -3.98 SiO2
SiO2(a) -2.67 -5.38 -2.71 SiO2
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 5.
@ -2915,7 +2967,7 @@ Si 2.872e-05
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Al(OH)3(a) -3.35 7.45 10.80 Al(OH)3
Chalcedony -1.05 -4.60 -3.55 SiO2
@ -2929,6 +2981,8 @@ Si 2.872e-05
Quartz -0.62 -4.60 -3.98 SiO2
SiO2(a) -1.89 -4.60 -2.71 SiO2
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 6.
@ -3019,7 +3073,7 @@ Si 2.534e-04
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Al(OH)3(a) -4.51 6.29 10.80 Al(OH)3
Chalcedony -0.17 -3.72 -3.55 SiO2
@ -3033,6 +3087,8 @@ Si 2.534e-04
Quartz 0.26 -3.72 -3.98 SiO2
SiO2(a) -1.01 -3.72 -2.71 SiO2
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 7.
@ -3124,7 +3180,7 @@ Si 3.819e-04
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Al(OH)3(a) -4.75 6.05 10.80 Al(OH)3
Chalcedony -0.00 -3.55 -3.55 SiO2
@ -3138,6 +3194,8 @@ Si 3.819e-04
Quartz 0.43 -3.55 -3.98 SiO2
SiO2(a) -0.84 -3.55 -2.71 SiO2
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
------------------
End of simulation.
@ -3238,7 +3296,7 @@ Si 6.661e-06
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Al(OH)3(a) -2.75 8.05 10.80 Al(OH)3
Chalcedony -2.84 -6.39 -3.55 SiO2
@ -3253,6 +3311,8 @@ Si 6.661e-06
Quartz -2.41 -6.39 -3.98 SiO2
SiO2(a) -3.68 -6.39 -2.71 SiO2
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Initial solution 2.
@ -3311,7 +3371,7 @@ Si 6.390e-06
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Al(OH)3(a) -2.75 8.05 10.80 Al(OH)3
Chalcedony -1.64 -5.20 -3.55 SiO2
@ -3326,6 +3386,8 @@ Si 6.390e-06
Quartz -1.21 -5.20 -3.98 SiO2
SiO2(a) -2.48 -5.20 -2.71 SiO2
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Initial solution 3.
@ -3384,7 +3446,7 @@ Si 6.412e-04
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Al(OH)3(a) -4.75 6.05 10.80 Al(OH)3
Chalcedony 0.36 -3.19 -3.55 SiO2
@ -3399,6 +3461,8 @@ Si 6.412e-04
Quartz 0.79 -3.19 -3.98 SiO2
SiO2(a) -0.48 -3.19 -2.71 SiO2
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Initial solution 4.
@ -3457,7 +3521,7 @@ Si 3.205e-01
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Al(OH)3(a) -7.46 3.34 10.80 Al(OH)3
Chalcedony 3.06 -0.49 -3.55 SiO2
@ -3472,6 +3536,8 @@ Si 3.205e-01
Quartz 3.49 -0.49 -3.98 SiO2
SiO2(a) 2.22 -0.49 -2.71 SiO2
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
------------------
End of simulation.
@ -3565,7 +3631,7 @@ Si 6.703e-04
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Al(OH)3(a) -4.75 6.05 10.80 Al(OH)3
Chalcedony -0.84 -4.39 -3.55 SiO2
@ -3580,6 +3646,8 @@ Si 6.703e-04
Quartz -0.41 -4.39 -3.98 SiO2
SiO2(a) -1.68 -4.39 -2.71 SiO2
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Initial solution 2.
@ -3638,7 +3706,7 @@ Si 6.412e-04
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Al(OH)3(a) -4.75 6.05 10.80 Al(OH)3
Chalcedony 0.36 -3.19 -3.55 SiO2
@ -3653,6 +3721,8 @@ Si 6.412e-04
Quartz 0.79 -3.19 -3.98 SiO2
SiO2(a) -0.48 -3.19 -2.71 SiO2
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Initial solution 3.
@ -3711,7 +3781,7 @@ Si 6.390e-06
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Al(OH)3(a) -2.75 8.05 10.80 Al(OH)3
Chalcedony -1.64 -5.20 -3.55 SiO2
@ -3726,6 +3796,8 @@ Si 6.390e-06
Quartz -1.21 -5.20 -3.98 SiO2
SiO2(a) -2.48 -5.20 -2.71 SiO2
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Initial solution 4.
@ -3784,7 +3856,7 @@ Si 6.392e-06
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Al(OH)3(a) -2.75 8.05 10.80 Al(OH)3
Chalcedony -1.64 -5.20 -3.55 SiO2
@ -3799,6 +3871,8 @@ Si 6.392e-06
Quartz -1.21 -5.20 -3.98 SiO2
SiO2(a) -2.48 -5.20 -2.71 SiO2
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
------------------
End of simulation.
@ -3809,6 +3883,6 @@ Reading input data for simulation 12.
-------------------------------------
------------------------------
End of Run after 0.49 Seconds.
End of Run after 0.48 Seconds.
------------------------------

106
ex7.out
View File

@ -105,12 +105,14 @@ O(0) 0.000e+00
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
H2(g) -22.05 -25.15 -3.10 H2
H2O(g) -1.50 0.00 1.50 H2O
O2(g) -39.19 -42.08 -2.89 O2
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
-----------------------------------------
Beginning of batch-reaction calculations.
@ -183,7 +185,7 @@ O(0) 0.000e+00
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Aragonite -0.14 -8.48 -8.34 CaCO3
Calcite 0.00 -8.48 -8.48 CaCO3
@ -193,6 +195,8 @@ O(0) 0.000e+00
H2O(g) -1.50 -0.00 1.50 H2O
O2(g) -60.30 -63.19 -2.89 O2
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
------------------
End of simulation.
@ -341,7 +345,7 @@ O(0) 0.000e+00
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Aragonite -0.28 -8.61 -8.34 CaCO3
Calcite -0.13 -8.61 -8.48 CaCO3
@ -353,6 +357,8 @@ O(0) 0.000e+00
NH3(g) -8.38 -6.61 1.77 NH3
O2(g) -70.75 -73.64 -2.89 O2
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 2.
@ -443,7 +449,7 @@ O(0) 0.000e+00
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Aragonite -0.37 -8.71 -8.34 CaCO3
Calcite -0.23 -8.71 -8.48 CaCO3
@ -455,6 +461,8 @@ O(0) 0.000e+00
NH3(g) -8.18 -6.41 1.77 NH3
O2(g) -70.85 -73.74 -2.89 O2
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 3.
@ -559,7 +567,7 @@ O(0) 0.000e+00
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Aragonite -0.45 -8.78 -8.34 CaCO3
Calcite -0.30 -8.78 -8.48 CaCO3
@ -571,6 +579,8 @@ O(0) 0.000e+00
NH3(g) -8.09 -6.32 1.77 NH3
O2(g) -70.88 -73.77 -2.89 O2
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 4.
@ -675,7 +685,7 @@ O(0) 0.000e+00
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Aragonite -0.50 -8.84 -8.34 CaCO3
Calcite -0.36 -8.84 -8.48 CaCO3
@ -687,6 +697,8 @@ O(0) 0.000e+00
NH3(g) -8.02 -6.25 1.77 NH3
O2(g) -70.85 -73.74 -2.89 O2
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 5.
@ -791,7 +803,7 @@ O(0) 0.000e+00
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Aragonite -0.64 -8.98 -8.34 CaCO3
Calcite -0.50 -8.98 -8.48 CaCO3
@ -803,6 +815,8 @@ O(0) 0.000e+00
NH3(g) -7.89 -6.12 1.77 NH3
O2(g) -70.75 -73.64 -2.89 O2
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 6.
@ -907,7 +921,7 @@ O(0) 0.000e+00
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Aragonite -0.77 -9.10 -8.34 CaCO3
Calcite -0.62 -9.10 -8.48 CaCO3
@ -919,6 +933,8 @@ O(0) 0.000e+00
NH3(g) -7.75 -5.98 1.77 NH3
O2(g) -70.63 -73.53 -2.89 O2
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 7.
@ -1023,7 +1039,7 @@ O(0) 0.000e+00
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Aragonite -0.83 -9.17 -8.34 CaCO3
Calcite -0.69 -9.17 -8.48 CaCO3
@ -1035,6 +1051,8 @@ O(0) 0.000e+00
NH3(g) -7.62 -5.85 1.77 NH3
O2(g) -70.52 -73.42 -2.89 O2
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 8.
@ -1139,7 +1157,7 @@ O(0) 0.000e+00
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Aragonite -0.85 -9.19 -8.34 CaCO3
Calcite -0.71 -9.19 -8.48 CaCO3
@ -1151,6 +1169,8 @@ O(0) 0.000e+00
NH3(g) -7.51 -5.74 1.77 NH3
O2(g) -70.44 -73.33 -2.89 O2
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 9.
@ -1255,7 +1275,7 @@ O(0) 0.000e+00
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Aragonite -0.86 -9.20 -8.34 CaCO3
Calcite -0.72 -9.20 -8.48 CaCO3
@ -1267,6 +1287,8 @@ O(0) 0.000e+00
NH3(g) -7.46 -5.69 1.77 NH3
O2(g) -70.38 -73.28 -2.89 O2
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 10.
@ -1371,7 +1393,7 @@ O(0) 0.000e+00
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Aragonite -0.87 -9.20 -8.34 CaCO3
Calcite -0.72 -9.20 -8.48 CaCO3
@ -1383,6 +1405,8 @@ O(0) 0.000e+00
NH3(g) -7.45 -5.68 1.77 NH3
O2(g) -70.36 -73.25 -2.89 O2
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 11.
@ -1487,7 +1511,7 @@ O(0) 0.000e+00
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Aragonite -0.87 -9.21 -8.34 CaCO3
Calcite -0.73 -9.21 -8.48 CaCO3
@ -1499,6 +1523,8 @@ O(0) 0.000e+00
NH3(g) -7.44 -5.67 1.77 NH3
O2(g) -70.34 -73.23 -2.89 O2
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 12.
@ -1603,7 +1629,7 @@ O(0) 0.000e+00
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Aragonite -0.87 -9.21 -8.34 CaCO3
Calcite -0.73 -9.21 -8.48 CaCO3
@ -1615,6 +1641,8 @@ O(0) 0.000e+00
NH3(g) -7.44 -5.67 1.77 NH3
O2(g) -70.33 -73.23 -2.89 O2
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
------------------
End of simulation.
@ -1785,7 +1813,7 @@ O(0) 0.000e+00
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 0 atm)
Phase SI** log IAP log K(298 K, 0 atm)
Aragonite -0.15 -8.49 -8.34 CaCO3
Calcite -0.01 -8.49 -8.48 CaCO3
@ -1797,6 +1825,8 @@ O(0) 0.000e+00
NH3(g) -9.62 -7.85 1.77 NH3
O2(g) -69.42 -72.31 -2.89 O2
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 2.
@ -1901,7 +1931,7 @@ O(0) 0.000e+00
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 0 atm)
Phase SI** log IAP log K(298 K, 0 atm)
Aragonite -0.16 -8.49 -8.34 CaCO3
Calcite -0.01 -8.49 -8.48 CaCO3
@ -1913,6 +1943,8 @@ O(0) 0.000e+00
NH3(g) -9.36 -7.59 1.77 NH3
O2(g) -69.57 -72.46 -2.89 O2
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 3.
@ -2017,7 +2049,7 @@ O(0) 0.000e+00
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 0 atm)
Phase SI** log IAP log K(298 K, 0 atm)
Aragonite -0.16 -8.50 -8.34 CaCO3
Calcite -0.02 -8.50 -8.48 CaCO3
@ -2029,6 +2061,8 @@ O(0) 0.000e+00
NH3(g) -9.20 -7.43 1.77 NH3
O2(g) -69.65 -72.54 -2.89 O2
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 4.
@ -2133,7 +2167,7 @@ O(0) 0.000e+00
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 0 atm)
Phase SI** log IAP log K(298 K, 0 atm)
Aragonite -0.17 -8.50 -8.34 CaCO3
Calcite -0.02 -8.50 -8.48 CaCO3
@ -2145,6 +2179,8 @@ O(0) 0.000e+00
NH3(g) -9.10 -7.33 1.77 NH3
O2(g) -69.71 -72.60 -2.89 O2
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 5.
@ -2249,7 +2285,7 @@ O(0) 0.000e+00
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 0 atm)
Phase SI** log IAP log K(298 K, 0 atm)
Aragonite -0.19 -8.53 -8.34 CaCO3
Calcite -0.05 -8.53 -8.48 CaCO3
@ -2261,6 +2297,8 @@ O(0) 0.000e+00
NH3(g) -8.84 -7.07 1.77 NH3
O2(g) -69.85 -72.74 -2.89 O2
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 6.
@ -2365,7 +2403,7 @@ O(0) 0.000e+00
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 0 atm)
Phase SI** log IAP log K(298 K, 0 atm)
Aragonite -0.23 -8.57 -8.34 CaCO3
Calcite -0.09 -8.57 -8.48 CaCO3
@ -2377,6 +2415,8 @@ O(0) 0.000e+00
NH3(g) -8.59 -6.82 1.77 NH3
O2(g) -69.98 -72.87 -2.89 O2
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 7.
@ -2481,7 +2521,7 @@ O(0) 0.000e+00
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 0 atm)
Phase SI** log IAP log K(298 K, 0 atm)
Aragonite -0.30 -8.64 -8.34 CaCO3
Calcite -0.16 -8.64 -8.48 CaCO3
@ -2493,6 +2533,8 @@ O(0) 0.000e+00
NH3(g) -8.36 -6.59 1.77 NH3
O2(g) -70.09 -72.98 -2.89 O2
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 8.
@ -2597,7 +2639,7 @@ O(0) 0.000e+00
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 0 atm)
Phase SI** log IAP log K(298 K, 0 atm)
Aragonite -0.41 -8.75 -8.34 CaCO3
Calcite -0.27 -8.75 -8.48 CaCO3
@ -2609,6 +2651,8 @@ O(0) 0.000e+00
NH3(g) -8.14 -6.37 1.77 NH3
O2(g) -70.18 -73.07 -2.89 O2
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 9.
@ -2713,7 +2757,7 @@ O(0) 0.000e+00
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 0 atm)
Phase SI** log IAP log K(298 K, 0 atm)
Aragonite -0.55 -8.88 -8.34 CaCO3
Calcite -0.40 -8.88 -8.48 CaCO3
@ -2725,6 +2769,8 @@ O(0) 0.000e+00
NH3(g) -7.95 -6.18 1.77 NH3
O2(g) -70.24 -73.13 -2.89 O2
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 10.
@ -2829,7 +2875,7 @@ O(0) 0.000e+00
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 0 atm)
Phase SI** log IAP log K(298 K, 0 atm)
Aragonite -0.70 -9.03 -8.34 CaCO3
Calcite -0.55 -9.03 -8.48 CaCO3
@ -2841,6 +2887,8 @@ O(0) 0.000e+00
NH3(g) -7.77 -6.00 1.77 NH3
O2(g) -70.28 -73.17 -2.89 O2
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 11.
@ -2945,7 +2993,7 @@ O(0) 0.000e+00
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Aragonite -0.82 -9.16 -8.34 CaCO3
Calcite -0.68 -9.16 -8.48 CaCO3
@ -2957,6 +3005,8 @@ O(0) 0.000e+00
NH3(g) -7.61 -5.84 1.77 NH3
O2(g) -70.31 -73.20 -2.89 O2
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 12.
@ -3061,7 +3111,7 @@ O(0) 0.000e+00
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Aragonite -0.89 -9.23 -8.34 CaCO3
Calcite -0.75 -9.23 -8.48 CaCO3
@ -3073,6 +3123,8 @@ O(0) 0.000e+00
NH3(g) -7.45 -5.68 1.77 NH3
O2(g) -70.32 -73.21 -2.89 O2
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
------------------
End of simulation.
@ -3083,6 +3135,6 @@ Reading input data for simulation 4.
------------------------------------
------------------------------
End of Run after 0.05 Seconds.
End of Run after 0.04 Seconds.
------------------------------

114
ex8.out
View File

@ -131,13 +131,15 @@ Zn 1.000e-07
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
H2(g) -24.05 -27.15 -3.10 H2
H2O(g) -1.50 -0.00 1.50 H2O
O2(g) -35.19 -38.08 -2.89 O2
Zn(OH)2(e) -2.97 8.53 11.50 Zn(OH)2
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
------------------
End of simulation.
@ -225,13 +227,15 @@ Zn 1.000e-04
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
H2(g) -24.05 -27.15 -3.10 H2
H2O(g) -1.50 -0.00 1.50 H2O
O2(g) -35.19 -38.08 -2.89 O2
Zn(OH)2(e) 0.03 11.53 11.50 Zn(OH)2
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
------------------
End of simulation.
@ -388,7 +392,7 @@ Zn 9.967e-08
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Fix_H+ -5.00 -5.00 0.00 H+
H2(g) -40.24 -43.34 -3.10 H2
@ -398,6 +402,8 @@ Zn 9.967e-08
O2(g) -2.81 -5.70 -2.89 O2
Zn(OH)2(e) -8.93 2.57 11.50 Zn(OH)2
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
------------------
End of simulation.
@ -523,7 +529,7 @@ Zn 9.910e-08
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Fix_H+ -5.25 -5.25 0.00 H+
H2(g) -40.17 -43.27 -3.10 H2
@ -533,6 +539,8 @@ Zn 9.910e-08
O2(g) -2.96 -5.85 -2.89 O2
Zn(OH)2(e) -8.43 3.07 11.50 Zn(OH)2
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
------------------
End of simulation.
@ -658,7 +666,7 @@ Zn 9.759e-08
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Fix_H+ -5.50 -5.50 0.00 H+
H2(g) -40.10 -43.20 -3.10 H2
@ -668,6 +676,8 @@ Zn 9.759e-08
O2(g) -3.10 -5.99 -2.89 O2
Zn(OH)2(e) -7.94 3.56 11.50 Zn(OH)2
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
------------------
End of simulation.
@ -793,7 +803,7 @@ Zn 9.369e-08
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Fix_H+ -5.75 -5.75 0.00 H+
H2(g) -40.02 -43.12 -3.10 H2
@ -803,6 +813,8 @@ Zn 9.369e-08
O2(g) -3.24 -6.13 -2.89 O2
Zn(OH)2(e) -7.46 4.04 11.50 Zn(OH)2
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
------------------
End of simulation.
@ -928,7 +940,7 @@ Zn 8.454e-08
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Fix_H+ -6.00 -6.00 0.00 H+
H2(g) -39.95 -43.05 -3.10 H2
@ -938,6 +950,8 @@ Zn 8.454e-08
O2(g) -3.38 -6.28 -2.89 O2
Zn(OH)2(e) -7.00 4.50 11.50 Zn(OH)2
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
------------------
End of simulation.
@ -1063,7 +1077,7 @@ Zn 6.679e-08
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Fix_H+ -6.25 -6.25 0.00 H+
H2(g) -39.88 -42.98 -3.10 H2
@ -1073,6 +1087,8 @@ Zn 6.679e-08
O2(g) -3.53 -6.42 -2.89 O2
Zn(OH)2(e) -6.60 4.90 11.50 Zn(OH)2
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
------------------
End of simulation.
@ -1198,7 +1214,7 @@ Zn 4.243e-08
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Fix_H+ -6.50 -6.50 0.00 H+
H2(g) -39.81 -42.91 -3.10 H2
@ -1208,6 +1224,8 @@ Zn 4.243e-08
O2(g) -3.67 -6.56 -2.89 O2
Zn(OH)2(e) -6.30 5.20 11.50 Zn(OH)2
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
------------------
End of simulation.
@ -1333,7 +1351,7 @@ Zn 2.114e-08
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Fix_H+ -6.75 -6.75 0.00 H+
H2(g) -39.74 -42.84 -3.10 H2
@ -1343,6 +1361,8 @@ Zn 2.114e-08
O2(g) -3.81 -6.70 -2.89 O2
Zn(OH)2(e) -6.10 5.40 11.50 Zn(OH)2
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
------------------
End of simulation.
@ -1468,7 +1488,7 @@ Zn 8.811e-09
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Fix_H+ -7.00 -7.00 0.00 H+
H2(g) -39.67 -42.77 -3.10 H2
@ -1478,6 +1498,8 @@ Zn 8.811e-09
O2(g) -3.96 -6.85 -2.89 O2
Zn(OH)2(e) -5.99 5.51 11.50 Zn(OH)2
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
------------------
End of simulation.
@ -1603,7 +1625,7 @@ Zn 3.340e-09
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Fix_H+ -7.25 -7.25 0.00 H+
H2(g) -39.60 -42.70 -3.10 H2
@ -1613,6 +1635,8 @@ Zn 3.340e-09
O2(g) -4.10 -6.99 -2.89 O2
Zn(OH)2(e) -5.91 5.59 11.50 Zn(OH)2
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
------------------
End of simulation.
@ -1738,7 +1762,7 @@ Zn 1.217e-09
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Fix_H+ -7.50 -7.50 0.00 H+
H2(g) -39.52 -42.62 -3.10 H2
@ -1748,6 +1772,8 @@ Zn 1.217e-09
O2(g) -4.24 -7.13 -2.89 O2
Zn(OH)2(e) -5.85 5.65 11.50 Zn(OH)2
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
------------------
End of simulation.
@ -1873,7 +1899,7 @@ Zn 4.403e-10
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Fix_H+ -7.75 -7.75 0.00 H+
H2(g) -39.45 -42.55 -3.10 H2
@ -1883,6 +1909,8 @@ Zn 4.403e-10
O2(g) -4.38 -7.28 -2.89 O2
Zn(OH)2(e) -5.80 5.70 11.50 Zn(OH)2
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
------------------
End of simulation.
@ -2008,7 +2036,7 @@ Zn 1.628e-10
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Fix_H+ -8.00 -8.00 0.00 H+
H2(g) -39.38 -42.48 -3.10 H2
@ -2018,6 +2046,8 @@ Zn 1.628e-10
O2(g) -4.53 -7.42 -2.89 O2
Zn(OH)2(e) -5.76 5.74 11.50 Zn(OH)2
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
------------------
End of simulation.
@ -2175,7 +2205,7 @@ Zn 9.969e-05
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Fix_H+ -5.00 -5.00 0.00 H+
H2(g) -40.24 -43.34 -3.10 H2
@ -2185,6 +2215,8 @@ Zn 9.969e-05
O2(g) -2.81 -5.70 -2.89 O2
Zn(OH)2(e) -5.93 5.57 11.50 Zn(OH)2
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
------------------
End of simulation.
@ -2310,7 +2342,7 @@ Zn 9.923e-05
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Fix_H+ -5.25 -5.25 0.00 H+
H2(g) -40.17 -43.27 -3.10 H2
@ -2320,6 +2352,8 @@ Zn 9.923e-05
O2(g) -2.96 -5.85 -2.89 O2
Zn(OH)2(e) -5.43 6.07 11.50 Zn(OH)2
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
------------------
End of simulation.
@ -2445,7 +2479,7 @@ Zn 9.832e-05
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Fix_H+ -5.50 -5.50 0.00 H+
H2(g) -40.10 -43.20 -3.10 H2
@ -2455,6 +2489,8 @@ Zn 9.832e-05
O2(g) -3.10 -5.99 -2.89 O2
Zn(OH)2(e) -4.94 6.56 11.50 Zn(OH)2
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
------------------
End of simulation.
@ -2580,7 +2616,7 @@ Zn 9.698e-05
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Fix_H+ -5.75 -5.75 0.00 H+
H2(g) -40.02 -43.12 -3.10 H2
@ -2590,6 +2626,8 @@ Zn 9.698e-05
O2(g) -3.24 -6.13 -2.89 O2
Zn(OH)2(e) -4.44 7.06 11.50 Zn(OH)2
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
------------------
End of simulation.
@ -2715,7 +2753,7 @@ Zn 9.549e-05
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Fix_H+ -6.00 -6.00 0.00 H+
H2(g) -39.95 -43.05 -3.10 H2
@ -2725,6 +2763,8 @@ Zn 9.549e-05
O2(g) -3.38 -6.28 -2.89 O2
Zn(OH)2(e) -3.95 7.55 11.50 Zn(OH)2
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
------------------
End of simulation.
@ -2850,7 +2890,7 @@ Zn 9.374e-05
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Fix_H+ -6.25 -6.25 0.00 H+
H2(g) -39.88 -42.98 -3.10 H2
@ -2860,6 +2900,8 @@ Zn 9.374e-05
O2(g) -3.53 -6.42 -2.89 O2
Zn(OH)2(e) -3.46 8.04 11.50 Zn(OH)2
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
------------------
End of simulation.
@ -2985,7 +3027,7 @@ Zn 9.075e-05
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Fix_H+ -6.50 -6.50 0.00 H+
H2(g) -39.81 -42.91 -3.10 H2
@ -2995,6 +3037,8 @@ Zn 9.075e-05
O2(g) -3.67 -6.56 -2.89 O2
Zn(OH)2(e) -2.97 8.53 11.50 Zn(OH)2
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
------------------
End of simulation.
@ -3120,7 +3164,7 @@ Zn 8.484e-05
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Fix_H+ -6.75 -6.75 0.00 H+
H2(g) -39.74 -42.84 -3.10 H2
@ -3130,6 +3174,8 @@ Zn 8.484e-05
O2(g) -3.81 -6.71 -2.89 O2
Zn(OH)2(e) -2.50 9.00 11.50 Zn(OH)2
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
------------------
End of simulation.
@ -3255,7 +3301,7 @@ Zn 7.503e-05
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Fix_H+ -7.00 -7.00 0.00 H+
H2(g) -39.67 -42.77 -3.10 H2
@ -3265,6 +3311,8 @@ Zn 7.503e-05
O2(g) -3.96 -6.85 -2.89 O2
Zn(OH)2(e) -2.05 9.45 11.50 Zn(OH)2
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
------------------
End of simulation.
@ -3390,7 +3438,7 @@ Zn 6.248e-05
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Fix_H+ -7.25 -7.25 0.00 H+
H2(g) -39.60 -42.70 -3.10 H2
@ -3400,6 +3448,8 @@ Zn 6.248e-05
O2(g) -4.10 -6.99 -2.89 O2
Zn(OH)2(e) -1.64 9.86 11.50 Zn(OH)2
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
------------------
End of simulation.
@ -3525,7 +3575,7 @@ Zn 4.944e-05
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Fix_H+ -7.50 -7.50 0.00 H+
H2(g) -39.52 -42.62 -3.10 H2
@ -3535,6 +3585,8 @@ Zn 4.944e-05
O2(g) -4.24 -7.13 -2.89 O2
Zn(OH)2(e) -1.24 10.26 11.50 Zn(OH)2
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
------------------
End of simulation.
@ -3660,7 +3712,7 @@ Zn 3.752e-05
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Fix_H+ -7.75 -7.75 0.00 H+
H2(g) -39.45 -42.55 -3.10 H2
@ -3670,6 +3722,8 @@ Zn 3.752e-05
O2(g) -4.38 -7.28 -2.89 O2
Zn(OH)2(e) -0.87 10.63 11.50 Zn(OH)2
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
------------------
End of simulation.
@ -3795,7 +3849,7 @@ Zn 2.762e-05
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Fix_H+ -8.00 -8.00 0.00 H+
H2(g) -39.38 -42.48 -3.10 H2
@ -3805,6 +3859,8 @@ Zn 2.762e-05
O2(g) -4.53 -7.42 -2.89 O2
Zn(OH)2(e) -0.53 10.97 11.50 Zn(OH)2
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
------------------
End of simulation.
@ -3824,6 +3880,6 @@ Reading input data for simulation 34.
-------------------------------------
------------------------------
End of Run after 0.06 Seconds.
End of Run after 0.05 Seconds.
------------------------------

48
ex9.out
View File

@ -219,13 +219,15 @@ O(0) 5.465e-04
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
H2(g) -41.31 -44.41 -3.10 H2
H2O(g) -1.50 -0.00 1.50 H2O
Halite -5.65 -4.08 1.57 NaCl
O2(g) -0.67 -3.56 -2.89 O2 Pressure 0.2 atm, phi 1.000
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
-----------------------------------------
Beginning of batch-reaction calculations.
@ -323,7 +325,7 @@ O(0) 5.465e-04
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Goethite 6.64 5.64 -1.00 Fe_triOOH
H2(g) -41.31 -44.41 -3.10 H2
@ -331,6 +333,8 @@ O(0) 5.465e-04
Halite -5.65 -4.08 1.57 NaCl
O2(g) -0.67 -3.56 -2.89 O2 Pressure 0.2 atm, phi 1.000
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 2.
@ -422,7 +426,7 @@ O(0) 5.465e-04
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Goethite 6.65 5.65 -1.00 Fe_triOOH
H2(g) -41.31 -44.41 -3.10 H2
@ -430,6 +434,8 @@ O(0) 5.465e-04
Halite -5.65 -4.08 1.57 NaCl
O2(g) -0.67 -3.56 -2.89 O2 Pressure 0.2 atm, phi 1.000
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 3.
@ -521,7 +527,7 @@ O(0) 5.465e-04
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Goethite 6.66 5.66 -1.00 Fe_triOOH
H2(g) -41.31 -44.41 -3.10 H2
@ -529,6 +535,8 @@ O(0) 5.465e-04
Halite -5.65 -4.08 1.57 NaCl
O2(g) -0.67 -3.56 -2.89 O2 Pressure 0.2 atm, phi 1.000
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 4.
@ -620,7 +628,7 @@ O(0) 5.465e-04
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Goethite 6.66 5.66 -1.00 Fe_triOOH
H2(g) -41.31 -44.41 -3.10 H2
@ -628,6 +636,8 @@ O(0) 5.465e-04
Halite -5.65 -4.08 1.57 NaCl
O2(g) -0.67 -3.56 -2.89 O2 Pressure 0.2 atm, phi 1.000
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 5.
@ -719,7 +729,7 @@ O(0) 5.465e-04
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Goethite 6.66 5.66 -1.00 Fe_triOOH
H2(g) -41.31 -44.41 -3.10 H2
@ -727,6 +737,8 @@ O(0) 5.465e-04
Halite -5.65 -4.08 1.57 NaCl
O2(g) -0.67 -3.56 -2.89 O2 Pressure 0.2 atm, phi 1.000
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 6.
@ -818,7 +830,7 @@ O(0) 5.465e-04
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Goethite 6.66 5.66 -1.00 Fe_triOOH
H2(g) -41.31 -44.41 -3.10 H2
@ -826,6 +838,8 @@ O(0) 5.465e-04
Halite -5.65 -4.08 1.57 NaCl
O2(g) -0.67 -3.56 -2.89 O2 Pressure 0.2 atm, phi 1.000
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 7.
@ -917,7 +931,7 @@ O(0) 5.465e-04
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Goethite 6.66 5.66 -1.00 Fe_triOOH
H2(g) -41.31 -44.41 -3.10 H2
@ -925,6 +939,8 @@ O(0) 5.465e-04
Halite -5.65 -4.08 1.57 NaCl
O2(g) -0.67 -3.56 -2.89 O2 Pressure 0.2 atm, phi 1.000
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 8.
@ -1016,7 +1032,7 @@ O(0) 5.465e-04
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Goethite 6.66 5.66 -1.00 Fe_triOOH
H2(g) -41.31 -44.41 -3.10 H2
@ -1024,6 +1040,8 @@ O(0) 5.465e-04
Halite -5.65 -4.08 1.57 NaCl
O2(g) -0.67 -3.56 -2.89 O2 Pressure 0.2 atm, phi 1.000
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 9.
@ -1115,7 +1133,7 @@ O(0) 5.465e-04
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Goethite 6.66 5.66 -1.00 Fe_triOOH
H2(g) -41.31 -44.41 -3.10 H2
@ -1123,6 +1141,8 @@ O(0) 5.465e-04
Halite -5.65 -4.08 1.57 NaCl
O2(g) -0.67 -3.56 -2.89 O2 Pressure 0.2 atm, phi 1.000
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 10.
@ -1214,7 +1234,7 @@ O(0) 5.465e-04
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Goethite 6.66 5.66 -1.00 Fe_triOOH
H2(g) -41.31 -44.41 -3.10 H2
@ -1222,6 +1242,8 @@ O(0) 5.465e-04
Halite -5.65 -4.08 1.57 NaCl
O2(g) -0.67 -3.56 -2.89 O2 Pressure 0.2 atm, phi 1.000
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
Reaction step 11.
@ -1313,7 +1335,7 @@ O(0) 5.465e-04
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Phase SI** log IAP log K(298 K, 1 atm)
Goethite 6.66 5.66 -1.00 Fe_triOOH
H2(g) -41.31 -44.41 -3.10 H2
@ -1321,6 +1343,8 @@ O(0) 5.465e-04
Halite -5.65 -4.08 1.57 NaCl
O2(g) -0.67 -3.56 -2.89 O2 Pressure 0.2 atm, phi 1.000
**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm.
For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm
------------------
End of simulation.