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ex2b and ex22 examples, co2.dat for ex22
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@6571 1feff8c3-07ed-0310-ac33-dd36852eb9cd
This commit is contained in:
David L Parkhurst
parent
436985c42a
commit
f3cc5aacf4
8
Makefile
8
Makefile
@ -26,6 +26,10 @@ ex1.out: $(INPUT)/ex1 $(PHREEQC) $(PHREEQCDAT)
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ex2.out: $(INPUT)/ex2 $(PHREEQC) $(PHREEQCDAT)
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$(PHREEQC) $(INPUT)/ex2 ex2.out $(PHREEQCDAT)
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mv phreeqc.log ex2.log
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ex2b.out: $(INPUT)/ex2b $(PHREEQC) $(PHREEQCDAT)
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$(PHREEQC) $(INPUT)/ex2b ex2b.out $(PHREEQCDAT)
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mv phreeqc.log ex2b.log
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ex3.out: $(INPUT)/ex3 $(PHREEQC) $(PHREEQCDAT)
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$(PHREEQC) $(INPUT)/ex3 ex3.out $(PHREEQCDAT)
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@ -130,6 +134,10 @@ ex20b.out: $(INPUT)/ex20b $(PHREEQC) ../database/iso.dat
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ex21_radial.out: $(INPUT)/ex21_radial $(PHREEQC) $(PHREEQCDAT)
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$(PHREEQC) $(INPUT)/ex21_radial ex21_radial.out $(PHREEQCDAT)
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mv phreeqc.log ex21_radial.log
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ex22.out: $(INPUT)/ex22 $(PHREEQC) $(PHREEQCDAT)
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$(PHREEQC) $(INPUT)/ex22 ex22.out $(PHREEQCDAT)
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mv phreeqc.log ex22.log
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diff:
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svn diff --diff-cmd diff -x -bw
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84
co2.dat
Normal file
84
co2.dat
Normal file
@ -0,0 +1,84 @@
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P 25.oC 50.oC 75.oC 100oC
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10.7 0.3000
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26.3 0.7068
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35.8 0.9356
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50.1 1.2051
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50.1 1.2203
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75.2 1.3932
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100.2 1.4186
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101.4 1.4339
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136.0 1.4695
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150.4 1.4695
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151.6 1.4898
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176.6 1.5254
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200.5 1.5203
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202.9 1.5610
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249.4 1.5763
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299.5 1.6220
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399.8 1.7237
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9.5 0.1831
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25.3 0.433
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40.5 0.612
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50.6 0.771
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50.7 0.769
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60.6 0.908
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68.2 0.932
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70.8 0.994
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75.3 0.989
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76.0 1.005
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80.8 1.075
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87.2 0.999
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90.9 1.133
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100.9 1.162
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101 1.176
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101.3 1.180
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101.3 1.143
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101.3 1.121
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111.0 1.191
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121.0 1.214
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122.1 1.188
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126.7 1.194
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141.1 1.231
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147.5 1.257
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147.5 1.253
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152.0 1.234
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152.0 1.191
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176.8 1.285
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200 1.307
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201 1.334
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202.7 1.300
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301 1.431
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304.0 1.398
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405.3 1.485
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500 1.599
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608 1.639
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709.3 1.710
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8.4 0.0864
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25.1 0.3051
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51.3 0.5695
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75.2 0.7576
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101.4 0.9153
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150.4 1.0983
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199.3 1.1898
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201.7 1.1898
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299.5 1.3119
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399.8 1.4237
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699.3 1.6729
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3.2 0.025
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5.9 0.054
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9.1 0.088
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11.8 0.116
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14.3 0.145
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17.9 0.183
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22.8 0.231
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25.0 0.239
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50.0 0.454
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75.0 0.637
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100.0 0.788
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150.0 1.014
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197.4 1.133
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200.0 1.146
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300.0 1.317
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400.0 1.445
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493.5 1.599
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700.0 1.718
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56
ex22
Normal file
56
ex22
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@ -0,0 +1,56 @@
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TITLE Compare experimental CO2 solubilities at high CO2 pressure with
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Peng-Robinson calc'ns with fixed-volume gas_phase, 25, 50, 75, 100 oC.
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SOLUTION 1
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GAS_PHASE 1
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-fixed_volume
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CO2(g) 0
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H2O(g) 0
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REACTION
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CO2 1; 0 27*1
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INCREMENTAL_REACTIONS true
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USER_GRAPH 1 Example 22, CO2 solubility at high pressures, 25 - 100 oC
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-plot_csv_file co2.dat
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-axis_titles "Pressure / atm" "CO2 / (mol/kgw)"
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-axis_scale x_axis 0 500
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-axis_scale y_axis 0 2
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-connect_simulations false
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10 graph_x PR_P("CO2(g)")
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20 graph_y TOT("C(4)")
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-end
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USER_GRAPH 2 Example 22, P-Vm of CO2 gas, 25 - 100 oC
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-headings 25.oC
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-axis_titles "molar volume of CO2 gas / (L/mol)" "CO2 pressure / atm"
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-axis_scale x_axis 0 1
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-axis_scale y_axis 0 500
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-connect_simulations false
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10 plot_xy gas_vm, gas_p symbol = None
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-end
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END
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USE solution 1
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USE gas_phase 1
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USE reaction 1
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REACTION_TEMPERATURE 2
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50
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USER_GRAPH 2
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-headings 50.oC
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END
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USE solution 1
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USE gas_phase 1
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USE reaction 1
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REACTION_TEMPERATURE 3
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75
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USER_GRAPH 2
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-headings 75.oC
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END
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USE solution 1
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USE gas_phase 1
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USE reaction 1
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REACTION_TEMPERATURE 4
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100
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USER_GRAPH 2
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-headings 100oC
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END
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60
ex2b
Normal file
60
ex2b
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@ -0,0 +1,60 @@
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TITLE Calculate gypsum/anhydrite transitions, 30 - 170 oC, 1 - 1000 atm
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Data in ex2b.dat from Blount and Dickson, 1973, Am. Mineral. 58, 323, fig. 2.
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SOLUTION 1
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EQUILIBRIUM_PHASES
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Gypsum
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REACTION_TEMPERATURE
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30 90 in 10
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USER_GRAPH 1 Example 2b, (P, T)-dependent solubilities of Gypsum and Anhydrite
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-plot_csv_file ex2b.dat
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-axis_titles "temperature / oC" "Solubility / (mol/kgw)"
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-axis_scale x_axis 30 170
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-axis_scale y_axis 1e-3 0.05 auto auto log
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10 plot_xy tc, tot("Ca"), color = Red, symbol = None
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-end
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END
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USE solution 1
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USE equilibrium_phases 1
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USE reaction_temperature 1
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REACTION_PRESSURE 2
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493
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USER_GRAPH
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10 plot_xy tc, tot("Ca"), color = Red, symbol = None
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END
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USE solution 1
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USE equilibrium_phases 1
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USE reaction_temperature 1
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REACTION_PRESSURE 3
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987
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USER_GRAPH
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20 plot_xy tc, tot("Ca"), color = Red, symbol = None
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END
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USE solution 1
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EQUILIBRIUM_PHASES 4
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Anhydrite
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REACTION_TEMPERATURE 4
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50 170 in 10
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USER_GRAPH
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10 plot_xy tc, tot("Ca"), color = Green, symbol = None
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END
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USE solution 1
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USE equilibrium_phases 4
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USE reaction_temperature 4
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USE reaction_pressure 2
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USER_GRAPH
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10 plot_xy tc, tot("Ca"), color = Green, symbol = None
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-end
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END
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USE solution 1
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USE equilibrium_phases 4
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USE reaction_temperature 4
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USE reaction_pressure 3
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USER_GRAPH
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10 plot_xy tc, tot("Ca"), color = Green, symbol = None
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-end
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END
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88
ex2b.dat
Normal file
88
ex2b.dat
Normal file
@ -0,0 +1,88 @@
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t/oC Gypsum P=500.bar P=1000.bar Anhydrite P=500.bar P=1000.bar
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Color Red Red Red Green Green Green
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symbol Square Star Triangle Square Star Triangle
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30 1.626e-02
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30 1.782e-02
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35 1.781e-02
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35 1.701e-02
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37 1.709e-02
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37 1.608e-02
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36 1.536e-02
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37 1.544e-02
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40 1.489e-02
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40 1.607e-02
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45 1.534e-02
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45 1.458e-02
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48 1.465e-02
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48 1.518e-02
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50 1.406e-02
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50 1.510e-02
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50 1.605e-02
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55 1.486e-02
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61 1.462e-02
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65 1.454e-02
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70 1.417e-02
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70 1.483e-02
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72 1.453e-02
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75 1.394e-02
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79 1.372e-02
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85 1.392e-02
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89 1.302e-02
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90 1.263e-02
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92 1.282e-02
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40 2.502e-02
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50 2.338e-02
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61 2.276e-02
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67 2.263e-02
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79 2.082e-02
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50 3.288e-02
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50 3.477e-02
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67 3.382e-02
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79 3.128e-02
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83 3.048e-02
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60 1.078e-02
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65 1.045e-02
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65 9.980e-03
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72 1.002e-02
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75 8.341e-03
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85 7.639e-03
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85 7.151e-03
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92 6.227e-03
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93 5.917e-03
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96 5.737e-03
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100 6.188e-03
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100 5.505e-03
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99 4.923e-03
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101 4.823e-03
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100 4.584e-03
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105 4.995e-03
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108 3.991e-03
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121 4.322e-03
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129 2.845e-03
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130 2.663e-03
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126 2.456e-03
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140 2.741e-03
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146 2.376e-03
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151 2.303e-03
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160 1.652e-03
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157 1.508e-03
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154 1.532e-03
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154 1.456e-03
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149 1.357e-03
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147 1.195e-03
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150 1.549e-03
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141 1.640e-03
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99 9.251e-03
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101 8.970e-03
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102 8.923e-03
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105 8.391e-03
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107 8.347e-03
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124 5.404e-03
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124 5.543e-03
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131 4.541e-03
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157 2.639e-03
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98 1.477e-02
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106 1.374e-02
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125 9.124e-03
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131 7.668e-03
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156 4.811e-03
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