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https://git.gfz-potsdam.de/naaice/iphreeqc.git
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source 7663
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@7664 1feff8c3-07ed-0310-ac33-dd36852eb9cd
This commit is contained in:
David L Parkhurst
parent
4cd1f689f1
commit
3c88e50ce0
2
ex11.out
2
ex11.out
@ -208,6 +208,6 @@ Reading input data for simulation 3.
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WARNING: Cell-lengths were read for 1 cells. Last value is used till cell 40.
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WARNING: Dispersivities were read for 1 cells. Last value is used till cell 40.
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------------------------------
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End of Run after 4.12 Seconds.
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End of Run after 4.07 Seconds.
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------------------------------
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2
ex12.out
2
ex12.out
@ -53,6 +53,6 @@ Reading input data for simulation 1.
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WARNING: Cell-lengths were read for 1 cells. Last value is used till cell 60.
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WARNING: Dispersivities were read for 1 cells. Last value is used till cell 60.
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------------------------------
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End of Run after 1.48 Seconds.
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End of Run after 1.46 Seconds.
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------------------------------
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@ -165,7 +165,7 @@ WARNING: No dispersivities were read; disp = 0 assumed.
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7.5000e+00 1.0547e-05 1.2626e-06 -3.9008e-08 -2.6645e-09
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8.5000e+00 3.8231e-06 2.9867e-07 -2.2212e-09 -8.8983e-11
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-----------------------------
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End of Run after 1.3 Seconds.
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-----------------------------
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------------------------------
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End of Run after 1.29 Seconds.
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------------------------------
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@ -841,7 +841,7 @@ WARNING: Dispersivities were read for 1 cells. Last value is used till cell 20.
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30 plot_xy dist, TOT("Cl")*1000, color = Green, symbol = Plus
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-end
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END
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-----------------------------
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End of Run after 0.6 Seconds.
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-----------------------------
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------------------------------
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End of Run after 0.59 Seconds.
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------------------------------
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@ -770,7 +770,7 @@ WARNING: Dispersivities were read for 1 cells. Last value is used till cell 20.
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20 GRAPH_Y TOT("Na")*1000 TOT("Cl")*1000
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-end
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END
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-----------------------------
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End of Run after 0.4 Seconds.
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-----------------------------
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------------------------------
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End of Run after 0.39 Seconds.
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------------------------------
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4
ex15.out
4
ex15.out
@ -207,12 +207,12 @@ WARNING: Dispersivities were read for 1 cells. Last value is used till cell 10.
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WARNING: Cell-lengths were read for 1 cells. Last value is used till cell 20.
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WARNING: Dispersivities were read for 1 cells. Last value is used till cell 20.
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END
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WARNING: USER_PUNCH: Headings count doesn't match number of calls to PUNCH.
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WARNING: USER_PUNCH: Headings count does not match number of calls to PUNCH.
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TRANSPORT Last 55 hours with background infilling solution
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shifts 110
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END
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-------------------------------
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End of Run after 10.97 Seconds.
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End of Run after 10.98 Seconds.
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-------------------------------
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@ -184,12 +184,12 @@ WARNING: Dispersivities were read for 1 cells. Last value is used till cell 10.
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WARNING: Cell-lengths were read for 1 cells. Last value is used till cell 20.
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WARNING: Dispersivities were read for 1 cells. Last value is used till cell 20.
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END
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WARNING: USER_PUNCH: Headings count doesn't match number of calls to PUNCH.
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WARNING: USER_PUNCH: Headings count does not match number of calls to PUNCH.
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TRANSPORT Last 55 hours with background infilling solution
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shifts 110
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END
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----------------------------
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End of Run after 11 Seconds.
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----------------------------
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-------------------------------
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End of Run after 10.96 Seconds.
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-------------------------------
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@ -187,6 +187,6 @@ WARNING: Dispersivities were read for 1 cells. Last value is used till cell 20.
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shifts 110
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END
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-------------------------------
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End of Run after 10.96 Seconds.
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End of Run after 10.99 Seconds.
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-------------------------------
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78
ex17.out
78
ex17.out
@ -78,7 +78,7 @@ Initial solution 1. Black Sea water
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Elements Molality Moles
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Br 4.401e-04 4.401e-04
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C 8.453e-04 8.453e-04 Equilibrium with CO2(g)
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C 8.430e-04 8.430e-04 Equilibrium with CO2(g)
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Ca 5.841e-03 5.841e-03
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Cl 2.930e-01 2.930e-01
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K 4.960e-03 4.960e-03
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@ -90,23 +90,23 @@ Initial solution 1. Black Sea water
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pH = 8.000
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pe = 4.000
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Specific Conductance (uS/cm, 25 oC) = 31362
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Specific Conductance (uS/cm, 25 oC) = 31361
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Density (g/cm3) = 1.01094
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Volume (L) = 1.00889
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Activity of water = 0.990
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Ionic strength = 3.752e-01
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Mass of water (kg) = 1.000e+00
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Total alkalinity (eq/kg) = 8.684e-04
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Total CO2 (mol/kg) = 8.453e-04
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Total alkalinity (eq/kg) = 8.660e-04
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Total CO2 (mol/kg) = 8.430e-04
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Temperature (deg C) = 25.00
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Electrical balance (eq) = 2.250e-03
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Electrical balance (eq) = 2.253e-03
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Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.35
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Iterations = 9
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Gamma iterations = 3
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Osmotic coefficient = 0.89851
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Density of water = 0.99704
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Total H = 1.110132e+02
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Total O = 5.556983e+01
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Total O = 5.556982e+01
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----------------------------Distribution of species----------------------------
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@ -114,16 +114,16 @@ Initial solution 1. Black Sea water
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MacInnes Log Log Log mole V
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Species Molality Activity Molality Activity Gamma cm3/mol
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OH- 1.663e-06 9.977e-07 -5.779 -6.001 -0.222 -2.99
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OH- 1.671e-06 1.002e-06 -5.777 -5.999 -0.222 -3.15
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H+ 1.290e-08 1.000e-08 -7.889 -8.000 -0.111 0.00
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H2O 5.551e+01 9.903e-01 1.744 -0.004 0.000 18.07
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Br 4.401e-04
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Br- 4.401e-04 3.004e-04 -3.356 -3.522 -0.166 25.36
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C(4) 8.453e-04
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HCO3- 8.044e-04 4.944e-04 -3.095 -3.306 -0.211 25.95
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CO3-2 1.612e-05 2.264e-06 -4.793 -5.645 -0.853 -1.27
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MgCO3 1.441e-05 1.441e-05 -4.841 -4.841 0.000 -17.09
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CO2 1.036e-05 1.096e-05 -4.985 -4.960 0.024 30.26
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C(4) 8.430e-04
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HCO3- 8.022e-04 4.931e-04 -3.096 -3.307 -0.211 25.95
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CO3-2 1.608e-05 2.258e-06 -4.794 -5.646 -0.853 -1.27
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MgCO3 1.437e-05 1.437e-05 -4.843 -4.843 0.000 -17.09
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CO2 1.033e-05 1.093e-05 -4.986 -4.961 0.024 29.09
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Ca 5.841e-03
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Ca+2 5.841e-03 1.473e-03 -2.233 -2.832 -0.598 -16.97
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Cl 2.930e-01
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@ -132,7 +132,7 @@ K 4.960e-03
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K+ 4.960e-03 3.418e-03 -2.305 -2.466 -0.162 9.48
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Mg 2.807e-02
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Mg+2 2.805e-02 7.511e-03 -1.552 -2.124 -0.572 -20.69
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MgCO3 1.441e-05 1.441e-05 -4.841 -4.841 0.000 -17.09
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MgCO3 1.437e-05 1.437e-05 -4.843 -4.843 0.000 -17.09
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MgOH+ 1.244e-06 1.155e-06 -5.905 -5.938 -0.032 (0)
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Na 2.544e-01
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Na+ 2.544e-01 1.836e-01 -0.595 -0.736 -0.142 -0.79
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@ -149,14 +149,14 @@ S(6) 1.527e-02
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Arcanite -5.83 -7.61 -1.78 K2SO4
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Bischofite -8.02 -3.57 4.46 MgCl2:6H2O
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Bloedite -6.62 -8.96 -2.35 Na2Mg(SO4)2:4H2O
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Brucite -3.25 -14.13 -10.88 Mg(OH)2
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Brucite -3.24 -14.12 -10.88 Mg(OH)2
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Burkeite -14.64 -15.41 -0.77 Na6CO3(SO4)2
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Calcite -0.07 -8.48 -8.41 CaCO3
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Carnallite -11.07 -6.74 4.33 KMgCl3:6H2O
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CO2(g) -3.50 -4.96 -1.46 CO2 Pressure 0.0 atm, phi 1.000.
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Dolomite 0.84 -16.25 -17.08 CaMg(CO3)2
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Dolomite 0.83 -16.25 -17.08 CaMg(CO3)2
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Epsomite -2.95 -4.83 -1.88 MgSO4:7H2O
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Gaylussite -6.19 -15.62 -9.42 CaNa2(CO3)2:5H2O
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Gaylussite -6.20 -15.62 -9.42 CaNa2(CO3)2:5H2O
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Glaserite -9.68 -13.48 -3.80 NaK3(SO4)2
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Glauberite -4.41 -9.65 -5.25 Na2Ca(SO4)2
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Gypsum -0.93 -5.51 -4.58 CaSO4:2H2O
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@ -176,13 +176,14 @@ S(6) 1.527e-02
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Natron -6.34 -7.16 -0.82 Na2CO3:10H2O
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Nesquehonite -2.62 -7.78 -5.17 MgCO3:3H2O
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Pentahydrite -3.53 -4.82 -1.28 MgSO4:5H2O
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Pirssonite -6.37 -15.60 -9.23 Na2Ca(CO3)2:2H2O
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Pirssonite -6.37 -15.61 -9.23 Na2Ca(CO3)2:2H2O
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Polyhalite -9.68 -23.43 -13.74 K2MgCa2(SO4)4:2H2O
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Portlandite -9.64 -14.83 -5.19 Ca(OH)2
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Schoenite -8.10 -12.43 -4.33 K2Mg(SO4)2:6H2O
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Sylvite -4.07 -3.17 0.90 KCl
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Syngenite -5.67 -13.12 -7.45 K2Ca(SO4)2:H2O
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Trona -10.12 -21.51 -11.38 Na3H(CO3)2:2H2O
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Thenardite -3.80 -4.15 -0.35 Na2SO4
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Trona -10.13 -21.51 -11.38 Na3H(CO3)2:2H2O
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Initial solution 2. Composition during halite precipitation
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@ -192,7 +193,7 @@ Initial solution 2. Composition during halite precipitation
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Elements Molality Moles
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Br 3.785e-02 3.785e-02
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C 7.206e-06 7.206e-06 Equilibrium with CO2(g)
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C 7.187e-06 7.187e-06 Equilibrium with CO2(g)
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Cl 6.004e+00 6.004e+00
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K 4.578e-01 4.578e-01
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Mg 2.354e+00 2.354e+00
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@ -209,8 +210,8 @@ Initial solution 2. Composition during halite precipitation
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Activity of water = 0.681
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Ionic strength = 1.111e+01
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Mass of water (kg) = 1.000e+00
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Total alkalinity (eq/kg) = 7.758e-06
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Total CO2 (mol/kg) = 7.206e-06
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Total alkalinity (eq/kg) = 7.746e-06
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Total CO2 (mol/kg) = 7.187e-06
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Temperature (deg C) = 25.00
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Electrical balance (eq) = 4.629e-02
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Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.29
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@ -228,15 +229,15 @@ Initial solution 2. Composition during halite precipitation
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Species Molality Activity Molality Activity Gamma cm3/mol
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H+ 5.602e-07 1.000e-05 -6.252 -5.000 1.252 0.00
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OH- 1.205e-08 6.857e-10 -7.919 -9.164 -1.245 9.31
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OH- 1.211e-08 6.889e-10 -7.917 -9.162 -1.245 11.12
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H2O 5.551e+01 6.806e-01 1.744 -0.167 0.000 18.07
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Br 3.785e-02
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Br- 3.785e-02 4.950e-02 -1.422 -1.305 0.116 27.92
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C(4) 7.206e-06
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HCO3- 4.558e-06 3.398e-07 -5.341 -6.469 -1.128 47.51
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CO2 2.575e-06 1.096e-05 -5.589 -4.960 0.629 30.26
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MgCO3 6.713e-08 6.713e-08 -7.173 -7.173 0.000 -17.09
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CO3-2 5.877e-09 1.556e-12 -8.231 -11.808 -3.577 14.84
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C(4) 7.187e-06
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HCO3- 4.546e-06 3.389e-07 -5.342 -6.470 -1.128 47.51
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CO2 2.568e-06 1.093e-05 -5.590 -4.961 0.629 29.09
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MgCO3 6.694e-08 6.694e-08 -7.174 -7.174 0.000 -17.09
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CO3-2 5.861e-09 1.552e-12 -8.232 -11.809 -3.577 14.84
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Cl 6.004e+00
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Cl- 6.004e+00 4.512e+00 0.778 0.654 -0.124 20.71
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K 4.578e-01
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@ -244,7 +245,7 @@ K 4.578e-01
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Mg 2.354e+00
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Mg+2 2.354e+00 5.091e+01 0.372 1.707 1.335 -15.59
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MgOH+ 6.271e-06 5.379e-06 -5.203 -5.269 -0.067 (0)
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MgCO3 6.713e-08 6.713e-08 -7.173 -7.173 0.000 -17.09
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MgCO3 6.694e-08 6.694e-08 -7.174 -7.174 0.000 -17.09
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Na 2.720e+00
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Na+ 2.720e+00 8.671e+00 0.435 0.938 0.503 2.74
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S(6) 8.986e-01
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@ -281,6 +282,7 @@ S(6) 8.986e-01
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Pentahydrite -0.49 -1.77 -1.28 MgSO4:5H2O
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Schoenite -0.90 -5.23 -4.33 K2Mg(SO4)2:6H2O
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Sylvite -0.57 0.33 0.90 KCl
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Thenardite -0.42 -0.77 -0.35 Na2SO4
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Trona -14.75 -26.14 -11.38 Na3H(CO3)2:2H2O
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@ -294,23 +296,23 @@ Solution 1: Black Sea water
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Input Delta Input+Delta
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pH 8.000e+00 + 0.000e+00 = 8.000e+00
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Alkalinity 8.684e-04 + 0.000e+00 = 8.684e-04
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Alkalinity 8.660e-04 + 0.000e+00 = 8.660e-04
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Br 4.401e-04 + 0.000e+00 = 4.401e-04
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C(4) 8.453e-04 + 0.000e+00 = 8.453e-04
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C(4) 8.430e-04 + 0.000e+00 = 8.430e-04
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Ca 5.841e-03 + 0.000e+00 = 5.841e-03
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Cl 2.930e-01 + 8.006e-04 = 2.938e-01
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K 4.960e-03 + 1.034e-04 = 5.063e-03
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Mg 2.807e-02 + -7.018e-04 = 2.737e-02
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Na 2.544e-01 + 0.000e+00 = 2.544e-01
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S(6) 1.527e-02 + 7.486e-05 = 1.535e-02
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S(6) 1.527e-02 + 7.603e-05 = 1.535e-02
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Solution 2: Composition during halite precipitation
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Input Delta Input+Delta
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pH 5.000e+00 + 0.000e+00 = 5.000e+00
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Alkalinity 7.758e-06 + -1.940e-07 = 7.564e-06
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Alkalinity 7.746e-06 + -1.936e-07 = 7.552e-06
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Br 3.785e-02 + 9.440e-04 = 3.880e-02
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C(4) 7.206e-06 + 1.802e-07 = 7.387e-06
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C(4) 7.187e-06 + 1.797e-07 = 7.367e-06
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Ca 0.000e+00 + 0.000e+00 = 0.000e+00
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Cl 6.004e+00 + 1.501e-01 = 6.154e+00
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K 4.578e-01 + -1.144e-02 = 4.464e-01
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@ -324,15 +326,15 @@ Solution fractions: Minimum Maximum
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Phase mole transfers: Minimum Maximum
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H2O(g) -4.837e+03 -4.817e+03 -4.817e+03 H2O
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Calcite -3.827e-02 -3.923e-02 -3.716e-02 CaCO3
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CO2(g) -3.624e-02 -3.906e-02 -3.328e-02 CO2
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Gypsum -4.767e-01 -4.905e-01 -4.609e-01 CaSO4:2H2O
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Calcite -3.817e-02 -3.912e-02 -3.706e-02 CaCO3
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CO2(g) -3.614e-02 -3.895e-02 -3.319e-02 CO2
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Gypsum -4.768e-01 -4.906e-01 -4.611e-01 CaSO4:2H2O
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Halite -1.975e+01 -2.033e+01 -1.901e+01 NaCl
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Redox mole transfers:
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Sum of residuals (epsilons in documentation): 1.923e+02
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Sum of delta/uncertainty limit: 9.820e+00
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Sum of residuals (epsilons in documentation): 1.926e+02
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Sum of delta/uncertainty limit: 9.823e+00
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Maximum fractional error in element concentration: 2.500e-02
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Model contains minimum number of phases.
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@ -170,7 +170,7 @@ Beginning of initial solution calculations.
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Initial solution 1.
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WARNING: USER_PUNCH: Headings count doesn't match number of calls to PUNCH.
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WARNING: USER_PUNCH: Headings count does not match number of calls to PUNCH.
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----------------------------------User print-----------------------------------
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@ -53227,6 +53227,6 @@ Reading input data for simulation 114.
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--------------------------------------
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------------------------------
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End of Run after 1.35 Seconds.
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End of Run after 1.36 Seconds.
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------------------------------
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4
ex21.out
4
ex21.out
@ -413,7 +413,7 @@ Beginning of initial solution calculations.
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Initial solution 3. tracer solution
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WARNING: USER_PUNCH: Headings count doesn't match number of calls to PUNCH.
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WARNING: USER_PUNCH: Headings count does not match number of calls to PUNCH.
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|
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-----------------------------Solution composition------------------------------
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@ -957,6 +957,6 @@ WARNING: No dispersivities were read; disp = 0 assumed.
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END
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END
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-------------------------------
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End of Run after 23.44 Seconds.
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End of Run after 23.34 Seconds.
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-------------------------------
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36
ex7.out
36
ex7.out
@ -1330,7 +1330,7 @@ N2(g) -1.51 3.083e-02 1.001 0.000e+00 6.860e-03 6.860e-03
|
||||
Pressure (atm) = 1.10
|
||||
Electrical balance (eq) = -1.216e-09
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
|
||||
Iterations = 20
|
||||
Iterations = 21
|
||||
Total H = 1.110335e+02
|
||||
Total O = 5.556092e+01
|
||||
|
||||
@ -1446,7 +1446,7 @@ N2(g) -1.48 3.349e-02 1.001 0.000e+00 1.554e-02 1.554e-02
|
||||
Pressure (atm) = 1.10
|
||||
Electrical balance (eq) = -1.216e-09
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
|
||||
Iterations = 25
|
||||
Iterations = 23
|
||||
Total H = 1.110446e+02
|
||||
Total O = 5.556770e+01
|
||||
|
||||
@ -1562,7 +1562,7 @@ N2(g) -1.46 3.481e-02 1.001 0.000e+00 3.300e-02 3.300e-02
|
||||
Pressure (atm) = 1.10
|
||||
Electrical balance (eq) = -1.216e-09
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
|
||||
Iterations = 23
|
||||
Iterations = 24
|
||||
Total H = 1.110665e+02
|
||||
Total O = 5.557929e+01
|
||||
|
||||
@ -1675,7 +1675,7 @@ H2O(g) -1.50 3.141e-02 2.977e-02 2.977e-02 0.000e+00
|
||||
N2(g) -99.99 0.000e+00 0.000e+00 0.000e+00 0.000e+00
|
||||
|
||||
WARNING: While initializing gas phase composition by equilibrating:
|
||||
Found definitions of gas' critical temperature and pressure.
|
||||
Found definitions of gas` critical temperature and pressure.
|
||||
Going to use Peng-Robinson in subsequent calculations.
|
||||
|
||||
-----------------------------------------
|
||||
@ -1860,7 +1860,7 @@ N2(g) -4.15 7.081e-05 1.000 0.000e+00 6.716e-05 6.716e-05
|
||||
Pressure (atm) = 0.07
|
||||
Electrical balance (eq) = -1.216e-09
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
|
||||
Iterations = 27
|
||||
Iterations = 24
|
||||
Total H = 1.110126e+02
|
||||
Total O = 5.552112e+01
|
||||
|
||||
@ -1976,7 +1976,7 @@ N2(g) -3.97 1.064e-04 1.000 0.000e+00 1.009e-04 1.009e-04
|
||||
Pressure (atm) = 0.07
|
||||
Electrical balance (eq) = -1.216e-09
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
|
||||
Iterations = 28
|
||||
Iterations = 24
|
||||
Total H = 1.110127e+02
|
||||
Total O = 5.552120e+01
|
||||
|
||||
@ -2092,7 +2092,7 @@ N2(g) -3.85 1.420e-04 1.000 0.000e+00 1.347e-04 1.347e-04
|
||||
Pressure (atm) = 0.07
|
||||
Electrical balance (eq) = -1.216e-09
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
|
||||
Iterations = 26
|
||||
Iterations = 24
|
||||
Total H = 1.110128e+02
|
||||
Total O = 5.552129e+01
|
||||
|
||||
@ -2208,7 +2208,7 @@ N2(g) -3.55 2.846e-04 1.000 0.000e+00 2.699e-04 2.699e-04
|
||||
Pressure (atm) = 0.07
|
||||
Electrical balance (eq) = -1.216e-09
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
|
||||
Iterations = 25
|
||||
Iterations = 23
|
||||
Total H = 1.110132e+02
|
||||
Total O = 5.552165e+01
|
||||
|
||||
@ -2324,7 +2324,7 @@ N2(g) -3.24 5.697e-04 1.000 0.000e+00 5.403e-04 5.403e-04
|
||||
Pressure (atm) = 0.08
|
||||
Electrical balance (eq) = -1.216e-09
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
|
||||
Iterations = 28
|
||||
Iterations = 24
|
||||
Total H = 1.110141e+02
|
||||
Total O = 5.552236e+01
|
||||
|
||||
@ -2440,7 +2440,7 @@ N2(g) -2.94 1.139e-03 1.000 0.000e+00 1.080e-03 1.080e-03
|
||||
Pressure (atm) = 0.10
|
||||
Electrical balance (eq) = -1.216e-09
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
|
||||
Iterations = 25
|
||||
Iterations = 28
|
||||
Total H = 1.110159e+02
|
||||
Total O = 5.552377e+01
|
||||
|
||||
@ -2556,7 +2556,7 @@ N2(g) -2.64 2.271e-03 1.000 0.000e+00 2.154e-03 2.154e-03
|
||||
Pressure (atm) = 0.13
|
||||
Electrical balance (eq) = -1.216e-09
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
|
||||
Iterations = 27
|
||||
Iterations = 26
|
||||
Total H = 1.110195e+02
|
||||
Total O = 5.552662e+01
|
||||
|
||||
@ -2670,9 +2670,9 @@ N2(g) -2.36 4.414e-03 1.000 0.000e+00 4.187e-03 4.187e-03
|
||||
Total CO2 (mol/kg) = 8.568e-03
|
||||
Temperature (deg C) = 25.00
|
||||
Pressure (atm) = 0.20
|
||||
Electrical balance (eq) = -1.216e-09
|
||||
Electrical balance (eq) = -1.217e-09
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
|
||||
Iterations = 28
|
||||
Iterations = 26
|
||||
Total H = 1.110263e+02
|
||||
Total O = 5.553208e+01
|
||||
|
||||
@ -2786,9 +2786,9 @@ N2(g) -2.06 8.764e-03 1.000 0.000e+00 8.318e-03 8.318e-03
|
||||
Total CO2 (mol/kg) = 1.112e-02
|
||||
Temperature (deg C) = 25.00
|
||||
Pressure (atm) = 0.33
|
||||
Electrical balance (eq) = -1.216e-09
|
||||
Electrical balance (eq) = -1.217e-09
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
|
||||
Iterations = 30
|
||||
Iterations = 26
|
||||
Total H = 1.110405e+02
|
||||
Total O = 5.554334e+01
|
||||
|
||||
@ -2904,7 +2904,7 @@ N2(g) -1.76 1.740e-02 1.000 0.000e+00 1.653e-02 1.653e-02
|
||||
Pressure (atm) = 0.60
|
||||
Electrical balance (eq) = -1.216e-09
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
|
||||
Iterations = 32
|
||||
Iterations = 29
|
||||
Total H = 1.110690e+02
|
||||
Total O = 5.556594e+01
|
||||
|
||||
@ -3018,9 +3018,9 @@ N2(g) -1.46 3.463e-02 1.001 0.000e+00 3.296e-02 3.296e-02
|
||||
Total CO2 (mol/kg) = 2.656e-02
|
||||
Temperature (deg C) = 25.00
|
||||
Pressure (atm) = 1.13
|
||||
Electrical balance (eq) = -1.228e-09
|
||||
Electrical balance (eq) = -1.227e-09
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
|
||||
Iterations = 34
|
||||
Iterations = 33
|
||||
Total H = 1.111259e+02
|
||||
Total O = 5.561103e+01
|
||||
|
||||
|
||||
6
ex7.sel
6
ex7.sel
@ -16,12 +16,12 @@
|
||||
3 i_gas -99 -1.5001 -21.5011 -999.9990 -999.9990 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00
|
||||
3 react 1.0000e-03 -1.4939 -3.2573 -4.4522 -9.6174 6.4109e-02 6.0800e-02 1.8240e-03 3.0424e-02 5.2433e-04 3.3467e-05 0.0000e+00
|
||||
3 react 2.0000e-03 -1.4874 -2.9562 -4.1498 -9.3557 6.5179e-02 6.1814e-02 1.8544e-03 3.0880e-02 1.0488e-03 6.7156e-05 0.0000e+00
|
||||
3 react 3.0000e-03 -1.4811 -2.7801 -3.9729 -9.2036 6.6248e-02 6.2828e-02 1.8848e-03 3.1335e-02 1.5734e-03 1.0090e-04 0.0000e+00
|
||||
3 react 3.0000e-03 -1.4811 -2.7801 -3.9729 -9.2036 6.6249e-02 6.2828e-02 1.8848e-03 3.1335e-02 1.5734e-03 1.0090e-04 0.0000e+00
|
||||
3 react 4.0000e-03 -1.4748 -2.6551 -3.8475 -9.0964 6.7318e-02 6.3842e-02 1.9153e-03 3.1791e-02 2.0979e-03 1.3468e-04 0.0000e+00
|
||||
3 react 8.0000e-03 -1.4506 -2.3541 -3.5456 -8.8416 7.1596e-02 6.7899e-02 2.0370e-03 3.3613e-02 4.1962e-03 2.6990e-04 0.0000e+00
|
||||
3 react 1.6000e-02 -1.4059 -2.0530 -3.2442 -8.5948 8.0150e-02 7.6014e-02 2.2804e-03 3.7258e-02 8.3928e-03 5.4031e-04 0.0000e+00
|
||||
3 react 1.6000e-02 -1.4059 -2.0530 -3.2442 -8.5948 8.0151e-02 7.6014e-02 2.2804e-03 3.7258e-02 8.3928e-03 5.4031e-04 0.0000e+00
|
||||
3 react 3.2000e-02 -1.3284 -1.7521 -2.9435 -8.3606 9.7256e-02 9.2239e-02 2.7672e-03 4.4546e-02 1.6785e-02 1.0800e-03 0.0000e+00
|
||||
3 react 6.4000e-02 -1.2056 -1.4512 -2.6436 -8.1439 1.3145e-01 1.2468e-01 3.7403e-03 5.9118e-02 3.3566e-02 2.1542e-03 0.0000e+00
|
||||
3 react 6.4000e-02 -1.2056 -1.4512 -2.6436 -8.1439 1.3144e-01 1.2468e-01 3.7403e-03 5.9118e-02 3.3566e-02 2.1542e-03 0.0000e+00
|
||||
3 react 1.2500e-01 -1.0387 -1.1607 -2.3551 -7.9533 1.9655e-01 1.8647e-01 5.5940e-03 8.6880e-02 6.5544e-02 4.1871e-03 0.0000e+00
|
||||
3 react 2.5000e-01 -0.8206 -0.8601 -2.0572 -7.7735 3.2977e-01 3.1299e-01 9.3896e-03 1.4373e-01 1.3105e-01 8.3180e-03 0.0000e+00
|
||||
3 react 5.0000e-01 -0.5686 -0.5599 -1.7592 -7.6065 5.9570e-01 5.6590e-01 1.6977e-02 2.5739e-01 2.6201e-01 1.6532e-02 0.0000e+00
|
||||
|
||||
2
ex8.out
2
ex8.out
@ -75,7 +75,7 @@ Beginning of initial solution calculations.
|
||||
|
||||
Initial solution 1.
|
||||
|
||||
WARNING: USER_PUNCH: Headings count doesn't match number of calls to PUNCH.
|
||||
WARNING: USER_PUNCH: Headings count does not match number of calls to PUNCH.
|
||||
|
||||
-----------------------------Solution composition------------------------------
|
||||
|
||||
|
||||
Loading…
x
Reference in New Issue
Block a user