mirror of
https://git.gfz-potsdam.de/naaice/iphreeqc.git
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7643 code
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@7645 1feff8c3-07ed-0310-ac33-dd36852eb9cd
This commit is contained in:
David L Parkhurst
parent
6ff403a6f0
commit
4cd1f689f1
22
ex10.out
22
ex10.out
@ -200,7 +200,7 @@ CO2(g) -0.01 -1.48 -1.46 1.000e+01 9.960e+00 -3.990e-02
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----------------------------Description of solution----------------------------
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pH = 6.059 Charge balance
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pe = 11.993 Adjusted to redox equilibrium
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pe = 11.930 Adjusted to redox equilibrium
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Specific Conductance (uS/cm, 25 oC) = 1702
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Density (g/cm3) = 0.99887
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Volume (L) = 1.00686
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@ -210,7 +210,7 @@ CO2(g) -0.01 -1.48 -1.46 1.000e+01 9.960e+00 -3.990e-02
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Total alkalinity (eq/kg) = 2.118e-02
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Total CO2 (mol/kg) = 5.443e-02
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Temperature (deg C) = 25.00
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Electrical balance (eq) = 1.692e-11
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Electrical balance (eq) = 3.800e-12
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Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
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Iterations = 10
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Total H = 1.110200e+02
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@ -225,7 +225,7 @@ CO2(g) -0.01 -1.48 -1.46 1.000e+01 9.960e+00 -3.990e-02
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OH- 1.371e-08 1.159e-08 -7.863 -7.936 -0.073 -3.95
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H2O 5.551e+01 9.989e-01 1.744 -0.000 0.000 18.07
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C(-4) 0.000e+00
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CH4 0.000e+00 0.000e+00 -121.506 -121.503 0.003 32.22
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CH4 0.000e+00 0.000e+00 -120.999 -120.996 0.003 32.22
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C(4) 5.443e-02
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CO2 3.326e-02 3.348e-02 -1.478 -1.475 0.003 30.26
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HCO3- 1.989e-02 1.705e-02 -1.701 -1.768 -0.067 24.83
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@ -237,10 +237,10 @@ Ca 1.059e-02
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CaHCO3+ 1.272e-03 1.095e-03 -2.896 -2.961 -0.065 9.77
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CaCO3 7.698e-06 7.750e-06 -5.114 -5.111 0.003 -14.60
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CaOH+ 1.123e-09 9.562e-10 -8.949 -9.019 -0.070 (0)
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H(0) 1.105e-39
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H2 5.524e-40 5.561e-40 -39.258 -39.255 0.003 28.61
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O(0) 2.672e-14
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O2 1.336e-14 1.345e-14 -13.874 -13.871 0.003 30.40
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H(0) 1.479e-39
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H2 7.397e-40 7.446e-40 -39.131 -39.128 0.003 28.61
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O(0) 1.490e-14
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O2 7.451e-15 7.502e-15 -14.128 -14.125 0.003 30.40
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------------------------------Saturation indices-------------------------------
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@ -248,11 +248,11 @@ O(0) 2.672e-14
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Aragonite 0.00 -8.34 -8.34 CaCO3
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Calcite 0.14 -8.34 -8.48 CaCO3
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CH4(g) -118.66 -121.50 -2.84 CH4
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CH4(g) -118.15 -121.00 -2.84 CH4
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CO2(g) -0.01 -1.48 -1.46 CO2 Pressure 1.0 atm, phi 0.995.
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H2(g) -36.15 -39.25 -3.10 H2
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H2(g) -36.03 -39.13 -3.10 H2
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H2O(g) -1.50 -0.00 1.50 H2O
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O2(g) -10.98 -13.87 -2.89 O2
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O2(g) -11.23 -14.12 -2.89 O2
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------------------
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@ -8413,6 +8413,6 @@ Misc 1: 4.8032e-03
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Misc 2: 8.5786e-01
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------------------------------
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End of Run after 0.53 Seconds.
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End of Run after 0.42 Seconds.
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------------------------------
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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 5.21 Seconds.
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End of Run after 4.12 Seconds.
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------------------------------
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18
ex11adv.sel
18
ex11adv.sel
@ -75,27 +75,27 @@
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74 3.2281e-11 1.2000e-03 1.1999e-03 3.9374e-08 1.8625e+00
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75 6.7673e-12 1.2000e-03 1.1890e-03 5.4946e-06 1.8875e+00
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76 8.0510e-13 1.2000e-03 7.0494e-04 2.4753e-04 1.9125e+00
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77 2.1968e-14 1.2000e-03 9.6078e-05 5.5196e-04 1.9375e+00
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78 4.1771e-16 1.2000e-03 9.1268e-06 5.9544e-04 1.9625e+00
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77 2.1968e-14 1.2000e-03 9.6079e-05 5.5196e-04 1.9375e+00
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78 4.1771e-16 1.2000e-03 9.1269e-06 5.9544e-04 1.9625e+00
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79 7.6748e-18 1.2000e-03 8.3782e-07 5.9958e-04 1.9875e+00
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80 1.4057e-19 1.2000e-03 7.6671e-08 5.9996e-04 2.0125e+00
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81 2.5740e-21 1.2000e-03 7.0147e-09 6.0000e-04 2.0375e+00
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82 4.7052e-23 1.2000e-03 6.4179e-10 6.0000e-04 2.0625e+00
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83 8.2642e-25 1.2000e-03 5.8721e-11 6.0000e-04 2.0875e+00
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83 8.2642e-25 1.2000e-03 5.8722e-11 6.0000e-04 2.0875e+00
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84 0.0000e+00 1.2000e-03 5.3731e-12 6.0000e-04 2.1125e+00
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85 0.0000e+00 1.2000e-03 4.9168e-13 6.0000e-04 2.1375e+00
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86 0.0000e+00 1.2000e-03 4.4995e-14 6.0000e-04 2.1625e+00
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87 0.0000e+00 1.2000e-03 4.1178e-15 6.0000e-04 2.1875e+00
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88 0.0000e+00 1.2000e-03 3.7688e-16 6.0000e-04 2.2125e+00
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88 0.0000e+00 1.2000e-03 3.7689e-16 6.0000e-04 2.2125e+00
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89 0.0000e+00 1.2000e-03 3.4497e-17 6.0000e-04 2.2375e+00
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90 0.0000e+00 1.2000e-03 3.1579e-18 6.0000e-04 2.2625e+00
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91 0.0000e+00 1.2000e-03 2.8916e-19 6.0000e-04 2.2875e+00
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92 0.0000e+00 1.2000e-03 2.6481e-20 6.0000e-04 2.3125e+00
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93 0.0000e+00 1.2000e-03 2.4260e-21 6.0000e-04 2.3375e+00
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94 0.0000e+00 1.2000e-03 2.2286e-22 6.0000e-04 2.3625e+00
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95 0.0000e+00 1.2000e-03 2.0929e-23 6.0000e-04 2.3875e+00
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96 0.0000e+00 1.2000e-03 1.9254e-24 6.0000e-04 2.4125e+00
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97 0.0000e+00 1.2000e-03 1.5833e-25 6.0000e-04 2.4375e+00
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93 0.0000e+00 1.2000e-03 2.4261e-21 6.0000e-04 2.3375e+00
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94 0.0000e+00 1.2000e-03 2.2288e-22 6.0000e-04 2.3625e+00
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95 0.0000e+00 1.2000e-03 2.1592e-23 6.0000e-04 2.3875e+00
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96 0.0000e+00 1.2000e-03 2.0276e-24 6.0000e-04 2.4125e+00
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97 0.0000e+00 1.2000e-03 1.6673e-25 6.0000e-04 2.4375e+00
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98 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 2.4625e+00
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99 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 2.4875e+00
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100 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 2.5125e+00
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186
ex11trn.sel
186
ex11trn.sel
@ -7,96 +7,96 @@
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5 1.000000000001e-03 0.000000000000e+00 2.000000000001e-04 0.000000000000e+00 1.375000000000e-01
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6 1.000000000001e-03 0.000000000000e+00 2.000000000001e-04 0.000000000000e+00 1.625000000000e-01
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7 1.000000000001e-03 0.000000000000e+00 2.000000000001e-04 0.000000000000e+00 1.875000000000e-01
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8 1.000000000001e-03 3.099695935216e-22 2.000000000001e-04 0.000000000000e+00 2.125000000000e-01
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9 1.000000000001e-03 1.500932742251e-17 2.000000000001e-04 0.000000000000e+00 2.375000000000e-01
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10 1.000000000001e-03 6.337810922006e-15 2.000000000001e-04 0.000000000000e+00 2.625000000000e-01
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11 1.000000000001e-03 4.494806192987e-13 2.000000000001e-04 0.000000000000e+00 2.875000000000e-01
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12 1.000000000001e-03 1.148716183077e-11 2.000000000001e-04 0.000000000000e+00 3.125000000000e-01
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||||
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||||
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||||
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53 9.097384638197e-04 1.105766147279e-03 2.902615361554e-04 0.000000000000e+00 1.337500000000e+00
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54 8.761960899943e-04 1.119606249492e-03 3.238039099805e-04 0.000000000000e+00 1.362500000000e+00
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55 8.344533301387e-04 1.131625845338e-03 3.655466698358e-04 0.000000000000e+00 1.387500000000e+00
|
||||
56 7.847919650465e-04 1.142020362045e-03 4.152080349277e-04 0.000000000000e+00 1.412500000000e+00
|
||||
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||||
58 6.674661295234e-04 1.158656441393e-03 5.325338704504e-04 4.210831831453e-26 1.462500000000e+00
|
||||
59 6.042301758585e-04 1.165225432016e-03 5.957698241152e-04 2.111264373326e-24 1.487500000000e+00
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||||
60 5.410707042909e-04 1.170823053923e-03 6.589292956826e-04 9.153155082440e-23 1.512500000000e+00
|
||||
61 4.799177066713e-04 1.175577598779e-03 7.200822933022e-04 3.514330819331e-21 1.537500000000e+00
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||||
62 4.221746364525e-04 1.179603706071e-03 7.778253635208e-04 1.207213311877e-19 1.562500000000e+00
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||||
63 3.687296865692e-04 1.183003078325e-03 8.312703134040e-04 3.694071117278e-18 1.587500000000e+00
|
||||
64 3.200378094467e-04 1.185865350144e-03 8.799621905262e-04 1.035721708115e-16 1.612500000000e+00
|
||||
65 2.762284431582e-04 1.188269047043e-03 9.237715568096e-04 2.657316464038e-15 1.637500000000e+00
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||||
66 2.371960440987e-04 1.190282583741e-03 9.628039557489e-04 6.272120644406e-14 1.662500000000e+00
|
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67 2.026802660672e-04 1.191965263409e-03 9.973197310975e-04 1.404108201922e-12 1.687500000000e+00
|
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68 1.723175379747e-04 1.193368249524e-03 1.027682402579e-03 2.970943171749e-11 1.712500000000e+00
|
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69 1.456986526359e-04 1.194535490348e-03 1.054300174199e-03 5.865691823966e-10 1.737500000000e+00
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70 1.223834694918e-04 1.195504582883e-03 1.077593516921e-03 1.150677987014e-08 1.762500000000e+00
|
||||
71 1.019262303177e-04 1.196307568530e-03 1.097657241054e-03 2.082643003519e-07 1.787500000000e+00
|
||||
72 8.381480436881e-05 1.196971656898e-03 1.109525476374e-03 3.329859614994e-06 1.812500000000e+00
|
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73 6.668225222801e-05 1.197519877321e-03 1.024937206827e-03 5.419027046049e-05 1.837500000000e+00
|
||||
74 5.053198367582e-05 1.197971659937e-03 7.350507107303e-04 2.072086527883e-04 1.862500000000e+00
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||||
75 3.879701357350e-05 1.198343349752e-03 5.356918142845e-04 3.127555860648e-04 1.887500000000e+00
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||||
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||||
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||||
78 1.834047972256e-05 1.199104120993e-03 2.366187847907e-04 4.725203677407e-04 1.962500000000e+00
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79 1.438416333535e-05 1.199271821252e-03 1.838015689043e-04 5.009071338781e-04 1.987500000000e+00
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80 1.130287552711e-05 1.199408780437e-03 1.435541337109e-04 5.225714953794e-04 2.012500000000e+00
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81 8.894854153711e-06 1.199520488471e-03 1.125953626036e-04 5.392548916201e-04 2.037500000000e+00
|
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82 7.008145850465e-06 1.199611487222e-03 8.861328634960e-05 5.521892838990e-04 2.062500000000e+00
|
||||
83 5.526939767580e-06 1.199685527005e-03 6.993373976949e-05 5.622696602307e-04 2.087500000000e+00
|
||||
84 4.362237388404e-06 1.199745698858e-03 5.532050326425e-05 5.701586296731e-04 2.112500000000e+00
|
||||
85 3.445231625382e-06 1.199794545990e-03 4.384740221975e-05 5.763536830769e-04 2.137500000000e+00
|
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86 2.722483623308e-06 1.199834157394e-03 3.481279240958e-05 5.812323619832e-04 2.162500000000e+00
|
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87 2.152343733976e-06 1.199866246232e-03 2.768046311915e-05 5.850835965731e-04 2.187500000000e+00
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88 1.702259901847e-06 1.199892215323e-03 2.203774543333e-05 5.881299973322e-04 2.212500000000e+00
|
||||
89 1.346733078473e-06 1.199913211686e-03 1.756522033457e-05 5.905440232933e-04 2.237500000000e+00
|
||||
90 1.065752199178e-06 1.199930171882e-03 1.401446577099e-05 5.924598910148e-04 2.262500000000e+00
|
||||
91 8.435890596762e-07 1.199943859609e-03 1.119149962938e-05 5.939824556553e-04 2.287500000000e+00
|
||||
92 6.678659093891e-07 1.199954896813e-03 8.944331671077e-06 5.951939012097e-04 2.312500000000e+00
|
||||
93 5.288312745244e-07 1.199963789378e-03 7.153523666312e-06 5.961588225295e-04 2.337500000000e+00
|
||||
94 4.187957413792e-07 1.199970948301e-03 5.724978919781e-06 5.969281126694e-04 2.362500000000e+00
|
||||
95 3.316912255868e-07 1.199976707113e-03 4.584400973310e-06 5.975419539005e-04 2.387500000000e+00
|
||||
96 2.627259549300e-07 1.199981336185e-03 3.673012860394e-06 5.980321305923e-04 2.412500000000e+00
|
||||
97 2.081138873747e-07 1.199985054462e-03 2.944235323438e-06 5.984238253946e-04 2.437500000000e+00
|
||||
98 1.648621779638e-07 1.199988039067e-03 2.361099156253e-06 5.987370193329e-04 2.462500000000e+00
|
||||
99 1.306040218440e-07 1.199990433149e-03 1.894222603352e-06 5.989875866874e-04 2.487500000000e+00
|
||||
100 1.034670378514e-07 1.199992352295e-03 1.520225735430e-06 5.991881536133e-04 2.512500000000e+00
|
||||
8 1.000000000001e-03 3.099695935215e-22 2.000000000001e-04 0.000000000000e+00 2.125000000000e-01
|
||||
9 1.000000000001e-03 1.500942119490e-17 2.000000000001e-04 0.000000000000e+00 2.375000000000e-01
|
||||
10 1.000000000001e-03 6.337830597343e-15 2.000000000001e-04 0.000000000000e+00 2.625000000000e-01
|
||||
11 1.000000000001e-03 4.494808745371e-13 2.000000000001e-04 0.000000000000e+00 2.875000000000e-01
|
||||
12 1.000000000001e-03 1.148716249619e-11 2.000000000001e-04 0.000000000000e+00 3.125000000000e-01
|
||||
13 1.000000000001e-03 1.502206823479e-10 2.000000000001e-04 0.000000000000e+00 3.375000000000e-01
|
||||
14 1.000000000001e-03 1.222542814082e-09 2.000000000001e-04 0.000000000000e+00 3.625000000000e-01
|
||||
15 1.000000000001e-03 6.992469594649e-09 2.000000000001e-04 0.000000000000e+00 3.875000000000e-01
|
||||
16 1.000000000001e-03 3.048043444698e-08 2.000000000001e-04 0.000000000000e+00 4.125000000000e-01
|
||||
17 1.000000000001e-03 1.071736887963e-07 2.000000000002e-04 0.000000000000e+00 4.375000000000e-01
|
||||
18 1.000000000000e-03 3.167880513057e-07 2.000000000004e-04 0.000000000000e+00 4.625000000000e-01
|
||||
19 9.999999999996e-04 8.119152414854e-07 2.000000000010e-04 0.000000000000e+00 4.875000000000e-01
|
||||
20 9.999999999969e-04 1.847753785443e-06 2.000000000038e-04 0.000000000000e+00 5.125000000000e-01
|
||||
21 9.999999999827e-04 3.804229077196e-06 2.000000000179e-04 0.000000000000e+00 5.375000000000e-01
|
||||
22 9.999999999205e-04 7.191769368189e-06 2.000000000800e-04 0.000000000000e+00 5.625000000000e-01
|
||||
23 9.999999996780e-04 1.263506022590e-05 2.000000003226e-04 0.000000000000e+00 5.875000000000e-01
|
||||
24 9.999999988273e-04 2.083413717341e-05 2.000000011732e-04 0.000000000000e+00 6.125000000000e-01
|
||||
25 9.999999961127e-04 3.250742767802e-05 2.000000038882e-04 0.000000000000e+00 6.375000000000e-01
|
||||
26 9.999999881437e-04 4.832522920787e-05 2.000000118574e-04 0.000000000000e+00 6.625000000000e-01
|
||||
27 9.999999664327e-04 6.884373212030e-05 2.000000335677e-04 0.000000000000e+00 6.875000000000e-01
|
||||
28 9.999999111053e-04 9.444901160400e-05 2.000000888947e-04 0.000000000000e+00 7.125000000000e-01
|
||||
29 9.999997783000e-04 1.253179893826e-04 2.000002216984e-04 0.000000000000e+00 7.375000000000e-01
|
||||
30 9.999994762263e-04 1.614000573149e-04 2.000005237713e-04 0.000000000000e+00 7.625000000000e-01
|
||||
31 9.999988216502e-04 2.024196971846e-04 2.000011783465e-04 0.000000000000e+00 7.875000000000e-01
|
||||
32 9.999974639178e-04 2.478976466375e-04 2.000025360781e-04 0.000000000000e+00 8.125000000000e-01
|
||||
33 9.999947567697e-04 2.971862880220e-04 2.000052432252e-04 0.000000000000e+00 8.375000000000e-01
|
||||
34 9.999895484281e-04 3.495140484287e-04 2.000104515659e-04 0.000000000000e+00 8.625000000000e-01
|
||||
35 9.999798465392e-04 4.040335770973e-04 2.000201534538e-04 0.000000000000e+00 8.875000000000e-01
|
||||
36 9.999622949298e-04 4.598690859752e-04 2.000377050624e-04 0.000000000000e+00 9.125000000000e-01
|
||||
37 9.999313715132e-04 5.161592448425e-04 2.000686284782e-04 0.000000000000e+00 9.375000000000e-01
|
||||
38 9.998781779397e-04 5.720931802493e-04 2.001218220510e-04 0.000000000000e+00 9.625000000000e-01
|
||||
39 9.997886375331e-04 6.269382550212e-04 2.002113624570e-04 0.000000000000e+00 9.875000000000e-01
|
||||
40 9.996408433314e-04 6.800592808324e-04 2.003591566593e-04 0.000000000000e+00 1.012500000000e+00
|
||||
41 9.994011963775e-04 7.309295762326e-04 2.005988036125e-04 0.000000000000e+00 1.037500000000e+00
|
||||
42 9.990188398152e-04 7.791348087969e-04 2.009811601743e-04 0.000000000000e+00 1.062500000000e+00
|
||||
43 9.984177243188e-04 8.243708674759e-04 2.015822756709e-04 0.000000000000e+00 1.087500000000e+00
|
||||
44 9.974854440236e-04 8.664371340742e-04 2.025145559657e-04 0.000000000000e+00 1.112500000000e+00
|
||||
45 9.960577965330e-04 9.052265038234e-04 2.039422034561e-04 0.000000000000e+00 1.137500000000e+00
|
||||
46 9.938979448382e-04 9.407133877484e-04 2.061020551496e-04 0.000000000000e+00 1.162500000000e+00
|
||||
47 9.906693148736e-04 9.729407531500e-04 2.093306851138e-04 0.000000000000e+00 1.187500000000e+00
|
||||
48 9.859023902773e-04 1.002007055046e-03 2.140976097099e-04 0.000000000000e+00 1.212500000000e+00
|
||||
49 9.789581361260e-04 1.028053705197e-03 2.210418638610e-04 0.000000000000e+00 1.237500000000e+00
|
||||
50 9.689960048286e-04 1.051253532901e-03 2.310039951582e-04 0.000000000000e+00 1.262500000000e+00
|
||||
51 9.549633447245e-04 1.071800523379e-03 2.450366552621e-04 0.000000000000e+00 1.287500000000e+00
|
||||
52 9.356347670799e-04 1.089900980030e-03 2.643652329064e-04 0.000000000000e+00 1.312500000000e+00
|
||||
53 9.097384638239e-04 1.105766147280e-03 2.902615361621e-04 0.000000000000e+00 1.337500000000e+00
|
||||
54 8.761960899973e-04 1.119606249493e-03 3.238039099883e-04 0.000000000000e+00 1.362500000000e+00
|
||||
55 8.344533301406e-04 1.131625845338e-03 3.655466698447e-04 0.000000000000e+00 1.387500000000e+00
|
||||
56 7.847919650473e-04 1.142020362046e-03 4.152080349376e-04 0.000000000000e+00 1.412500000000e+00
|
||||
57 7.284538372956e-04 1.150973656035e-03 4.715461626889e-04 3.531139638934e-28 1.437500000000e+00
|
||||
58 6.674661295228e-04 1.158656441394e-03 5.325338704614e-04 4.216133165437e-26 1.462500000000e+00
|
||||
59 6.042301758575e-04 1.165225432017e-03 5.957698241264e-04 2.112623923728e-24 1.487500000000e+00
|
||||
60 5.410707042899e-04 1.170823053924e-03 6.589292956936e-04 9.154192216181e-23 1.512500000000e+00
|
||||
61 4.799177066703e-04 1.175577598780e-03 7.200822933128e-04 3.514353862127e-21 1.537500000000e+00
|
||||
62 4.221746364517e-04 1.179603706072e-03 7.778253635310e-04 1.207213751775e-19 1.562500000000e+00
|
||||
63 3.687296865687e-04 1.183003078326e-03 8.312703134136e-04 3.694071260172e-18 1.587500000000e+00
|
||||
64 3.200378094464e-04 1.185865350144e-03 8.799621905353e-04 1.035721722426e-16 1.612500000000e+00
|
||||
65 2.762284431581e-04 1.188269047043e-03 9.237715568180e-04 2.657316482823e-15 1.637500000000e+00
|
||||
66 2.371960440987e-04 1.190282583742e-03 9.628039557569e-04 6.272120668586e-14 1.662500000000e+00
|
||||
67 2.026802660674e-04 1.191965263410e-03 9.973197311050e-04 1.404108204584e-12 1.687500000000e+00
|
||||
68 1.723175379751e-04 1.193368249525e-03 1.027682402586e-03 2.970943174903e-11 1.712500000000e+00
|
||||
69 1.456986526363e-04 1.194535490349e-03 1.054300174205e-03 5.865691826213e-10 1.737500000000e+00
|
||||
70 1.223834694922e-04 1.195504582884e-03 1.077593516928e-03 1.150677987308e-08 1.762500000000e+00
|
||||
71 1.019262303181e-04 1.196307568531e-03 1.097657241061e-03 2.082643004042e-07 1.787500000000e+00
|
||||
72 8.381480436918e-05 1.196971656899e-03 1.109525476379e-03 3.329859615688e-06 1.812500000000e+00
|
||||
73 6.668225222814e-05 1.197519877322e-03 1.024937206814e-03 5.419027046986e-05 1.837500000000e+00
|
||||
74 5.053198367602e-05 1.197971659937e-03 7.350507107169e-04 2.072086527979e-04 1.862500000000e+00
|
||||
75 3.879701357378e-05 1.198343349753e-03 5.356918142764e-04 3.127555860714e-04 1.887500000000e+00
|
||||
76 3.007678322701e-05 1.198648658204e-03 4.021188008050e-04 3.839022079816e-04 1.912500000000e+00
|
||||
77 2.344463549462e-05 1.198899057198e-03 3.068522371353e-04 4.348515636835e-04 1.937500000000e+00
|
||||
78 1.834047972287e-05 1.199104120994e-03 2.366187847883e-04 4.725203677434e-04 1.962500000000e+00
|
||||
79 1.438416333564e-05 1.199271821253e-03 1.838015689026e-04 5.009071338802e-04 1.987500000000e+00
|
||||
80 1.130287552739e-05 1.199408780438e-03 1.435541337098e-04 5.225714953810e-04 2.012500000000e+00
|
||||
81 8.894854153962e-06 1.199520488471e-03 1.125953626029e-04 5.392548916213e-04 2.037500000000e+00
|
||||
82 7.008145850693e-06 1.199611487223e-03 8.861328634916e-05 5.521892839000e-04 2.062500000000e+00
|
||||
83 5.526939767786e-06 1.199685527006e-03 6.993373976925e-05 5.622696602315e-04 2.087500000000e+00
|
||||
84 4.362237388587e-06 1.199745698858e-03 5.532050326413e-05 5.701586296738e-04 2.112500000000e+00
|
||||
85 3.445231625545e-06 1.199794545991e-03 4.384740221973e-05 5.763536830775e-04 2.137500000000e+00
|
||||
86 2.722483623453e-06 1.199834157394e-03 3.481279241042e-05 5.812323619841e-04 2.162500000000e+00
|
||||
87 2.152343734104e-06 1.199866246233e-03 2.768046311987e-05 5.850835965738e-04 2.187500000000e+00
|
||||
88 1.702259901960e-06 1.199892215323e-03 2.203774543465e-05 5.881299973329e-04 2.212500000000e+00
|
||||
89 1.346733078573e-06 1.199913211686e-03 1.756522033577e-05 5.905440232939e-04 2.237500000000e+00
|
||||
90 1.065752199265e-06 1.199930171882e-03 1.401446577203e-05 5.924598910153e-04 2.262500000000e+00
|
||||
91 8.435890597541e-07 1.199943859609e-03 1.119149963090e-05 5.939824556558e-04 2.287500000000e+00
|
||||
92 6.678659094570e-07 1.199954896813e-03 8.944331672510e-06 5.951939012101e-04 2.312500000000e+00
|
||||
93 5.288312745831e-07 1.199963789378e-03 7.153523667569e-06 5.961588225299e-04 2.337500000000e+00
|
||||
94 4.187957414296e-07 1.199970948302e-03 5.724978920851e-06 5.969281126697e-04 2.362500000000e+00
|
||||
95 3.316912256300e-07 1.199976707113e-03 4.584400974209e-06 5.975419539008e-04 2.387500000000e+00
|
||||
96 2.627259549669e-07 1.199981336185e-03 3.673012861141e-06 5.980321305926e-04 2.412500000000e+00
|
||||
97 2.081138874062e-07 1.199985054463e-03 2.944235324056e-06 5.984238253949e-04 2.437500000000e+00
|
||||
98 1.648621779906e-07 1.199988039067e-03 2.361099156762e-06 5.987370193332e-04 2.462500000000e+00
|
||||
99 1.306040218668e-07 1.199990433149e-03 1.894222603771e-06 5.989875866877e-04 2.487500000000e+00
|
||||
100 1.034670378707e-07 1.199992352295e-03 1.520225735774e-06 5.991881536137e-04 2.512500000000e+00
|
||||
|
||||
2
ex12.out
2
ex12.out
@ -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 2.04 Seconds.
|
||||
End of Run after 1.48 Seconds.
|
||||
------------------------------
|
||||
|
||||
|
||||
120
ex12.sel
120
ex12.sel
@ -62,63 +62,63 @@
|
||||
19.1666 2.400000000000e+01 2.400000000000e+01 0.000000000000e+00 2.400000000000e+01
|
||||
19.5 2.400000000000e+01 2.400000000000e+01 0.000000000000e+00 2.400000000000e+01
|
||||
19.8333 2.400000000000e+01 2.400000000000e+01 0.000000000000e+00 2.400000000000e+01
|
||||
0.166666 2.173421535788e+01 2.173403615953e+01 2.265963837555e+00 2.269804797032e+01
|
||||
0.499999 1.732877881413e+01 1.732819001087e+01 6.671809981454e+00 2.011807085411e+01
|
||||
0.833333 1.328084086748e+01 1.327978568452e+01 1.072021430460e+01 1.760856603201e+01
|
||||
1.16667 9.764795286473e+00 9.763307030562e+00 1.423669295684e+01 1.521227157403e+01
|
||||
1.5 6.876991640216e+00 6.875215357889e+00 1.712478462909e+01 1.296595961048e+01
|
||||
1.83333 4.633455928133e+00 4.631602980036e+00 1.936839700748e+01 1.089879733960e+01
|
||||
2.16666 2.983966658034e+00 2.982242889554e+00 2.101775709911e+01 9.031344427758e+00
|
||||
2.5 1.835677067050e+00 1.834226374329e+00 2.216577361581e+01 7.375229710892e+00
|
||||
2.83333 1.078314727713e+00 1.077198297055e+00 2.292280169465e+01 5.933476222831e+00
|
||||
3.16666 6.047305557783e-01 6.039382767761e-01 2.339606171644e+01 4.701379781811e+00
|
||||
3.5 3.237709470080e-01 3.232490525503e-01 2.367675094204e+01 3.667800399947e+00
|
||||
3.83333 1.655104664086e-01 1.651896627897e-01 2.383481033299e+01 2.816701882840e+00
|
||||
4.16666 8.080257204240e-02 8.061777228930e-02 2.391938222449e+01 2.128773573943e+00
|
||||
4.5 3.768568646672e-02 3.758557520054e-02 2.396241442239e+01 1.582986272151e+00
|
||||
4.83333 1.679767756894e-02 1.674652868007e-02 2.398325346955e+01 1.157966472261e+00
|
||||
5.16666 7.158752063679e-03 7.134045497620e-03 2.399286595322e+01 8.331126368287e-01
|
||||
5.49999 2.918449214332e-03 2.907143227833e-03 2.399709285586e+01 5.894176946317e-01
|
||||
5.83333 1.138722696040e-03 1.133812458916e-03 2.399886618691e+01 4.099979928610e-01
|
||||
6.16666 4.254688736287e-04 4.234417516094e-04 2.399957655782e+01 2.803568840115e-01
|
||||
6.49999 1.523139982618e-04 1.515173747096e-04 2.399984848233e+01 1.884293356558e-01
|
||||
6.83333 5.227267557720e-05 5.197429139395e-05 2.399994802552e+01 1.244625136568e-01
|
||||
7.16666 1.720732480116e-05 1.710067670520e-05 2.399998289920e+01 8.078763518345e-02
|
||||
7.49999 5.436192373459e-06 5.399779934586e-06 2.399999460014e+01 5.153271367641e-02
|
||||
7.83333 1.649130959657e-06 1.637243309840e-06 2.399999836271e+01 3.231654723603e-02
|
||||
8.16666 4.806491381349e-07 4.769346821471e-07 2.399999952303e+01 1.995365519780e-02
|
||||
8.49999 1.346725366297e-07 1.335606126723e-07 2.399999986642e+01 1.218958904147e-02
|
||||
8.83332 3.634765898121e-08 3.602791823423e-08 2.399999996396e+01 7.477287155023e-03
|
||||
9.16666 9.688623034758e-09 9.597779740065e-09 2.399999999039e+01 4.798487469932e-03
|
||||
9.49999 3.521368975345e-09 3.486220156105e-09 2.399999999651e+01 3.529761276500e-03
|
||||
9.83332 5.266906600210e-09 5.215746665698e-09 2.399999999478e+01 3.350250040814e-03
|
||||
10.1667 1.826871464229e-08 1.810246236093e-08 2.399999998189e+01 4.187235208024e-03
|
||||
10.5 6.734356349056e-08 6.676736130756e-08 2.399999993322e+01 6.195716013747e-03
|
||||
10.8333 2.402639314420e-07 2.383343344210e-07 2.399999976165e+01 9.768664012917e-03
|
||||
11.1667 8.242843018529e-07 8.180891038318e-07 2.399999918189e+01 1.557505013534e-02
|
||||
11.5 2.716922549622e-06 2.697877246438e-06 2.399999730208e+01 2.462264894634e-02
|
||||
11.8333 8.598959192629e-06 8.542946811720e-06 2.399999145699e+01 3.834165440468e-02
|
||||
12.1667 2.611819663843e-05 2.596074261954e-05 2.399997403917e+01 5.868305693641e-02
|
||||
12.5 7.608967015818e-05 7.566701713314e-05 2.399992433285e+01 8.822247450093e-02
|
||||
12.8333 2.124941138159e-04 2.114118443699e-04 2.399978858795e+01 1.302558794728e-01
|
||||
13.1667 5.685367828663e-04 5.658959578912e-04 2.399943410375e+01 1.888688939336e-01
|
||||
13.5 1.456506511045e-03 1.450373186455e-03 2.399854962640e+01 2.689568433448e-01
|
||||
13.8333 3.570772369452e-03 3.557230844912e-03 2.399644276858e+01 3.761696764497e-01
|
||||
14.1667 8.372702446682e-03 8.344318206136e-03 2.399165568100e+01 5.167554989985e-01
|
||||
14.5 1.876668623423e-02 1.871028305844e-02 2.398128971588e+01 6.972801618689e-01
|
||||
14.8333 4.018855158439e-02 4.008246068967e-02 2.395991753791e+01 9.242091443375e-01
|
||||
15.1667 8.218587185627e-02 8.199729505439e-02 2.391800270314e+01 1.203352315082e+00
|
||||
15.5 1.604262488969e-01 1.601100284622e-01 2.383988996926e+01 1.539191520807e+00
|
||||
15.8333 2.987859018573e-01 2.982865096982e-01 2.370171348749e+01 1.934133647610e+00
|
||||
16.1667 5.307585250720e-01 5.300169112808e-01 2.346998308535e+01 2.387754908516e+00
|
||||
16.5 8.989956902916e-01 8.979611507920e-01 2.310203884529e+01 2.896121734262e+00
|
||||
16.8333 1.451582042996e+00 1.450226361435e+00 2.254977363415e+01 3.451285434097e+00
|
||||
17.1666 2.233972730862e+00 2.232300602858e+00 2.176769939235e+01 4.041047732556e+00
|
||||
17.5 3.276610346604e+00 3.274658958315e+00 2.072534103672e+01 4.649079608372e+00
|
||||
17.8333 4.580032365347e+00 4.577856581102e+00 1.942214341403e+01 5.255445898750e+00
|
||||
18.1666 6.101263069883e+00 6.098911107783e+00 1.790108888776e+01 5.837544906620e+00
|
||||
18.5 7.746550873541e+00 7.744044086566e+00 1.625595590971e+01 6.371420572377e+00
|
||||
18.8333 9.375124349924e+00 9.372456106620e+00 1.462754389061e+01 6.833351769762e+00
|
||||
19.1666 1.081616435699e+01 1.081332243661e+01 1.318667756165e+01 7.201577340309e+00
|
||||
19.5 1.189711477283e+01 1.189411416970e+01 1.210588582944e+01 7.457984760702e+00
|
||||
19.8333 1.247718192302e+01 1.247408415259e+01 1.152591584704e+01 7.589581188880e+00
|
||||
0.166666 2.173421535788e+01 2.173403615954e+01 2.265963837557e+00 2.269804797034e+01
|
||||
0.499999 1.732877881413e+01 1.732819001088e+01 6.671809981458e+00 2.011807085414e+01
|
||||
0.833333 1.328084086748e+01 1.327978568454e+01 1.072021430460e+01 1.760856603206e+01
|
||||
1.16667 9.764795286473e+00 9.763307030582e+00 1.423669295686e+01 1.521227157408e+01
|
||||
1.5 6.876991640216e+00 6.875215357905e+00 1.712478462910e+01 1.296595961052e+01
|
||||
1.83333 4.633455928133e+00 4.631602980051e+00 1.936839700749e+01 1.089879733964e+01
|
||||
2.16666 2.983966658034e+00 2.982242889567e+00 2.101775709912e+01 9.031344427786e+00
|
||||
2.5 1.835677067050e+00 1.834226374342e+00 2.216577361582e+01 7.375229710913e+00
|
||||
2.83333 1.078314727713e+00 1.077198297068e+00 2.292280169465e+01 5.933476222847e+00
|
||||
3.16666 6.047305557783e-01 6.039382767880e-01 2.339606171644e+01 4.701379781822e+00
|
||||
3.5 3.237709470080e-01 3.232490525611e-01 2.367675094204e+01 3.667800399955e+00
|
||||
3.83333 1.655104664086e-01 1.651896627990e-01 2.383481033299e+01 2.816701882845e+00
|
||||
4.16666 8.080257204240e-02 8.061777229689e-02 2.391938222449e+01 2.128773573946e+00
|
||||
4.5 3.768568646672e-02 3.758557520644e-02 2.396241442239e+01 1.582986272154e+00
|
||||
4.83333 1.679767756894e-02 1.674652868444e-02 2.398325346955e+01 1.157966472263e+00
|
||||
5.16666 7.158752063679e-03 7.134045500715e-03 2.399286595323e+01 8.331126368302e-01
|
||||
5.49999 2.918449214332e-03 2.907143229927e-03 2.399709285587e+01 5.894176946330e-01
|
||||
5.83333 1.138722696040e-03 1.133812460274e-03 2.399886618691e+01 4.099979928623e-01
|
||||
6.16666 4.254688736287e-04 4.234417524551e-04 2.399957655782e+01 2.803568840130e-01
|
||||
6.49999 1.523139982618e-04 1.515173752161e-04 2.399984848234e+01 1.884293356575e-01
|
||||
6.83333 5.227267557720e-05 5.197429168579e-05 2.399994802552e+01 1.244625136586e-01
|
||||
7.16666 1.720732480116e-05 1.710067686693e-05 2.399998289920e+01 8.078763518550e-02
|
||||
7.49999 5.436192373459e-06 5.399780020706e-06 2.399999460014e+01 5.153271367857e-02
|
||||
7.83333 1.649130959657e-06 1.637243353841e-06 2.399999836271e+01 3.231654723820e-02
|
||||
8.16666 4.806491381349e-07 4.769347036498e-07 2.399999952304e+01 1.995365519989e-02
|
||||
8.49999 1.346725366297e-07 1.335606226384e-07 2.399999986642e+01 1.218958904341e-02
|
||||
8.83332 3.634765898121e-08 3.602792250397e-08 2.399999996396e+01 7.477287156792e-03
|
||||
9.16666 9.688623034758e-09 9.597781456107e-09 2.399999999040e+01 4.798487471579e-03
|
||||
9.49999 3.521368975345e-09 3.486221174467e-09 2.399999999651e+01 3.529761278079e-03
|
||||
9.83332 5.266906600210e-09 5.215747970437e-09 2.399999999478e+01 3.350250042338e-03
|
||||
10.1667 1.826871464229e-08 1.810246493761e-08 2.399999998189e+01 4.187235209478e-03
|
||||
10.5 6.734356349056e-08 6.676736728794e-08 2.399999993323e+01 6.195716015130e-03
|
||||
10.8333 2.402639314420e-07 2.383343475316e-07 2.399999976165e+01 9.768664014259e-03
|
||||
11.1667 8.242843018529e-07 8.180891310040e-07 2.399999918189e+01 1.557505013666e-02
|
||||
11.5 2.716922549622e-06 2.697877300163e-06 2.399999730209e+01 2.462264894765e-02
|
||||
11.8333 8.598959192629e-06 8.542946913445e-06 2.399999145700e+01 3.834165440595e-02
|
||||
12.1667 2.611819663843e-05 2.596074280433e-05 2.399997403917e+01 5.868305693760e-02
|
||||
12.5 7.608967015818e-05 7.566701745556e-05 2.399992433285e+01 8.822247450201e-02
|
||||
12.8333 2.124941138159e-04 2.114118449108e-04 2.399978858796e+01 1.302558794738e-01
|
||||
13.1667 5.685367828663e-04 5.658959587642e-04 2.399943410375e+01 1.888688939345e-01
|
||||
13.5 1.456506511045e-03 1.450373187812e-03 2.399854962640e+01 2.689568433456e-01
|
||||
13.8333 3.570772369452e-03 3.557230846941e-03 2.399644276858e+01 3.761696764504e-01
|
||||
14.1667 8.372702446682e-03 8.344318209058e-03 2.399165568100e+01 5.167554989993e-01
|
||||
14.5 1.876668623423e-02 1.871028306249e-02 2.398128971588e+01 6.972801618698e-01
|
||||
14.8333 4.018855158439e-02 4.008246069508e-02 2.395991753791e+01 9.242091443387e-01
|
||||
15.1667 8.218587185627e-02 8.199729506133e-02 2.391800270314e+01 1.203352315083e+00
|
||||
15.5 1.604262488969e-01 1.601100284707e-01 2.383988996926e+01 1.539191520809e+00
|
||||
15.8333 2.987859018573e-01 2.982865097082e-01 2.370171348750e+01 1.934133647612e+00
|
||||
16.1667 5.307585250720e-01 5.300169112920e-01 2.346998308535e+01 2.387754908519e+00
|
||||
16.5 8.989956902916e-01 8.979611508040e-01 2.310203884529e+01 2.896121734266e+00
|
||||
16.8333 1.451582042996e+00 1.450226361448e+00 2.254977363415e+01 3.451285434102e+00
|
||||
17.1666 2.233972730862e+00 2.232300602870e+00 2.176769939235e+01 4.041047732562e+00
|
||||
17.5 3.276610346604e+00 3.274658958326e+00 2.072534103672e+01 4.649079608378e+00
|
||||
17.8333 4.580032365347e+00 4.577856581111e+00 1.942214341403e+01 5.255445898757e+00
|
||||
18.1666 6.101263069883e+00 6.098911107791e+00 1.790108888776e+01 5.837544906627e+00
|
||||
18.5 7.746550873541e+00 7.744044086572e+00 1.625595590971e+01 6.371420572385e+00
|
||||
18.8333 9.375124349924e+00 9.372456106626e+00 1.462754389062e+01 6.833351769771e+00
|
||||
19.1666 1.081616435699e+01 1.081332243662e+01 1.318667756165e+01 7.201577340318e+00
|
||||
19.5 1.189711477283e+01 1.189411416970e+01 1.210588582945e+01 7.457984760712e+00
|
||||
19.8333 1.247718192302e+01 1.247408415260e+01 1.152591584705e+01 7.589581188890e+00
|
||||
|
||||
@ -165,7 +165,7 @@ WARNING: No dispersivities were read; disp = 0 assumed.
|
||||
7.5000e+00 1.0547e-05 1.2626e-06 -3.9008e-08 -2.6645e-09
|
||||
8.5000e+00 3.8231e-06 2.9867e-07 -2.2212e-09 -8.8983e-11
|
||||
|
||||
------------------------------
|
||||
End of Run after 1.56 Seconds.
|
||||
------------------------------
|
||||
-----------------------------
|
||||
End of Run after 1.3 Seconds.
|
||||
-----------------------------
|
||||
|
||||
|
||||
154
ex12a.sel
154
ex12a.sel
@ -19,23 +19,23 @@
|
||||
17.5 0.000000000000e+00 0.000000000000e+00 2.400000000010e+01 0.000000000000e+00
|
||||
18.5 0.000000000000e+00 0.000000000000e+00 2.400000000010e+01 0.000000000000e+00
|
||||
19.5 2.400000000000e+01 2.400000000000e+01 0.000000000000e+00 2.400000000000e+01
|
||||
0.5 1.686181418415e+01 1.686133609177e+01 7.138663899863e+00 2.011377529320e+01 4.381717844656e-06 5.068336357409e-04
|
||||
1.5 6.421492325960e+00 6.419558988179e+00 1.758044099842e+01 1.294968671941e+01 1.730376475936e-05 5.127073405408e-04
|
||||
2.5 1.759908541854e+00 1.758534659752e+00 2.224146533045e+01 7.342808261286e+00 3.561257293500e-05 9.186006161718e-05
|
||||
3.5 3.571924631562e-01 3.567054178236e-01 2.364329457694e+01 3.623408283675e+00 4.959925524517e-05 -3.682506955067e-05
|
||||
4.5 5.490209781371e-02 5.479279662294e-02 2.394520720113e+01 1.538555967128e+00 5.006313596866e-05 -1.968447681294e-05
|
||||
5.5 6.484238380348e-03 6.467124486865e-03 2.399353287476e+01 5.556625533105e-01 3.820767165789e-05 -4.051252484481e-06
|
||||
6.5 5.926340095484e-04 5.906785139680e-04 2.399940932133e+01 1.684990632467e-01 2.262672987221e-05 -4.873052767427e-07
|
||||
7.5 4.190926756604e-05 4.174299653747e-05 2.399995825704e+01 4.224784404200e-02 1.054699173428e-05 -3.900783490471e-08
|
||||
8.5 2.276345750780e-06 2.265781715797e-06 2.399999773431e+01 8.664946370886e-03 3.823149392516e-06 -2.221207691848e-09
|
||||
9.5 1.396593677778e-07 1.389123928101e-07 2.399999986119e+01 2.055609847091e-03
|
||||
10.5 1.138869021831e-06 1.133447609147e-06 2.399999886665e+01 4.374443607422e-03
|
||||
11.5 2.090811414205e-05 2.082226930773e-05 2.399997917780e+01 2.044715368546e-02
|
||||
12.5 2.951795282278e-04 2.941575641835e-04 2.399970584241e+01 7.995922685932e-02
|
||||
13.5 3.221164570742e-03 3.212049565132e-03 2.399678795014e+01 2.567109777338e-01
|
||||
14.5 2.715473190226e-02 2.709461903621e-02 2.397290538002e+01 6.850286499837e-01
|
||||
15.5 1.753541123879e-01 1.750694114097e-01 2.382493058642e+01 1.533872870595e+00
|
||||
16.5 8.525032220200e-01 8.515834471020e-01 2.314841654903e+01 2.902126148036e+00
|
||||
0.5 1.686181418415e+01 1.686133609178e+01 7.138663899864e+00 2.011377529321e+01 4.381717835986e-06 5.068336357331e-04
|
||||
1.5 6.421492325960e+00 6.419558988183e+00 1.758044099843e+01 1.294968671941e+01 1.730376475377e-05 5.127073405375e-04
|
||||
2.5 1.759908541854e+00 1.758534659754e+00 2.224146533045e+01 7.342808261289e+00 3.561257293183e-05 9.186006161568e-05
|
||||
3.5 3.571924631562e-01 3.567054178249e-01 2.364329457694e+01 3.623408283677e+00 4.959925524360e-05 -3.682506955192e-05
|
||||
4.5 5.490209781371e-02 5.479279662390e-02 2.394520720114e+01 1.538555967128e+00 5.006313596799e-05 -1.968447681390e-05
|
||||
5.5 6.484238380348e-03 6.467124486967e-03 2.399353287476e+01 5.556625533108e-01 3.820767165765e-05 -4.051252484583e-06
|
||||
6.5 5.926340095484e-04 5.906785140003e-04 2.399940932133e+01 1.684990632467e-01 2.262672987214e-05 -4.873052767750e-07
|
||||
7.5 4.190926756604e-05 4.174299654809e-05 2.399995825704e+01 4.224784404202e-02 1.054699173426e-05 -3.900783491533e-08
|
||||
8.5 2.276345750780e-06 2.265781717003e-06 2.399999773430e+01 8.664946370890e-03 3.823149392512e-06 -2.221207693054e-09
|
||||
9.5 1.396593677778e-07 1.389123928270e-07 2.399999986118e+01 2.055609847092e-03
|
||||
10.5 1.138869021831e-06 1.133447609647e-06 2.399999886664e+01 4.374443607422e-03
|
||||
11.5 2.090811414205e-05 2.082226931291e-05 2.399997917780e+01 2.044715368546e-02
|
||||
12.5 2.951795282278e-04 2.941575641991e-04 2.399970584241e+01 7.995922685932e-02
|
||||
13.5 3.221164570742e-03 3.212049565180e-03 2.399678795014e+01 2.567109777338e-01
|
||||
14.5 2.715473190226e-02 2.709461903664e-02 2.397290538002e+01 6.850286499837e-01
|
||||
15.5 1.753541123879e-01 1.750694114102e-01 2.382493058642e+01 1.533872870595e+00
|
||||
16.5 8.525032220200e-01 8.515834471021e-01 2.314841654903e+01 2.902126148036e+00
|
||||
17.5 3.032149931402e+00 3.030261194913e+00 2.096973880001e+01 4.663139220088e+00
|
||||
18.5 7.550952821146e+00 7.548456392614e+00 1.645154360353e+01 6.385483516912e+00
|
||||
19.5 1.235834674495e+01 1.235529368930e+01 1.164470631042e+01 7.468268986450e+00
|
||||
@ -103,65 +103,65 @@
|
||||
19.1667 2.400000000000e+01 2.400000000000e+01 0.000000000000e+00 2.400000000000e+01
|
||||
19.5 2.400000000000e+01 2.400000000000e+01 0.000000000000e+00 2.400000000000e+01
|
||||
19.8333 2.400000000000e+01 2.400000000000e+01 0.000000000000e+00 2.400000000000e+01
|
||||
0.166667 2.173421305916e+01 2.173403386063e+01 2.265966136454e+00 2.269804666230e+01
|
||||
0.5 1.732877230198e+01 1.732818349805e+01 6.671816494272e+00 2.011806700217e+01 9.000887541202e-08 3.998622946736e-05
|
||||
0.833333 1.328083118787e+01 1.327977600372e+01 1.072022398539e+01 1.760855984592e+01
|
||||
1.16667 9.764783869793e+00 9.763295612528e+00 1.423670437488e+01 1.521226338234e+01
|
||||
1.5 6.876979954453e+00 6.875203671250e+00 1.712479631573e+01 1.296594983166e+01 1.040652503717e-06 5.706265747054e-05
|
||||
1.83333 4.633445178532e+00 4.631592230606e+00 1.936840775691e+01 1.089878644678e+01
|
||||
2.16667 2.983957613764e+00 2.982233846694e+00 2.101776614197e+01 9.031332911127e+00
|
||||
2.5 1.835670035272e+00 1.834219344965e+00 2.216578064517e+01 7.375218041904e+00 3.202792317064e-06 1.617537640467e-05
|
||||
2.83333 1.078309641703e+00 1.077193213963e+00 2.292280677774e+01 5.933464823754e+00
|
||||
3.16667 6.047271172834e-01 6.039348411755e-01 2.339606515204e+01 4.701369003147e+00
|
||||
3.5 3.237687663205e-01 3.232468743552e-01 2.367675312023e+01 3.667790507022e+00 5.217031898437e-06 -3.366526082223e-06
|
||||
3.83333 1.655091653734e-01 1.651883636707e-01 2.383481163211e+01 2.816693051599e+00
|
||||
4.16667 8.080184009388e-02 8.061704167871e-02 2.391938295510e+01 2.128765894909e+00
|
||||
4.5 3.768529738011e-02 3.758518697206e-02 2.396241481061e+01 1.582979760722e+00 5.639342374334e-06 -2.476867162061e-06
|
||||
4.83333 1.679748179371e-02 1.674633341452e-02 2.398325366481e+01 1.157961083142e+00
|
||||
5.16667 7.158658672534e-03 7.133952388493e-03 2.399286604633e+01 8.331082803343e-01
|
||||
5.5 2.918406916536e-03 2.907101076095e-03 2.399709289802e+01 5.894142528778e-01 4.455972090610e-06 -4.912290737112e-07
|
||||
5.83333 1.138704483513e-03 1.133794317456e-03 2.399886620505e+01 4.099953343101e-01
|
||||
6.16667 4.254614091982e-04 4.234343197647e-04 2.399957656525e+01 2.803548753962e-01
|
||||
6.5 1.523110828883e-04 1.515144734530e-04 2.399984848524e+01 1.884278508342e-01 2.697942284683e-06 -4.814123622780e-08
|
||||
6.83333 5.227158933236e-05 5.197321094024e-05 2.399994802660e+01 1.244614394092e-01
|
||||
7.16667 1.720693831522e-05 1.710029247319e-05 2.399998289958e+01 8.078687428779e-02
|
||||
7.5 5.436060934909e-06 5.399649329740e-06 2.399999460027e+01 5.153218578890e-02 1.262649987387e-06 -2.664487696983e-09
|
||||
7.83333 1.649088195275e-06 1.637200838983e-06 2.399999836275e+01 3.231618817415e-02
|
||||
8.16667 4.806358157844e-07 4.769214582981e-07 2.399999952305e+01 1.995341519396e-02
|
||||
8.5 1.346685590700e-07 1.335566666644e-07 2.399999986642e+01 1.218943044689e-02 2.986653165130e-07 -8.898264271568e-11
|
||||
8.83333 3.634651793240e-08 3.602678686559e-08 2.399999996396e+01 7.477181954097e-03
|
||||
9.16667 9.688299803978e-09 9.597459443197e-09 2.399999999040e+01 4.798414842272e-03
|
||||
9.5 3.521245209155e-09 3.486097589011e-09 2.399999999651e+01 3.529705335038e-03
|
||||
9.83333 5.266729325119e-09 5.215571061578e-09 2.399999999478e+01 3.350197790832e-03
|
||||
10.1667 1.826814042878e-08 1.810189319862e-08 2.399999998189e+01 4.187174718005e-03
|
||||
10.5 6.734157441183e-08 6.676538861847e-08 2.399999993323e+01 6.195634765136e-03
|
||||
10.8333 2.402572726136e-07 2.383277268952e-07 2.399999976166e+01 9.768547400294e-03
|
||||
11.1667 8.242629300769e-07 8.180678854826e-07 2.399999918191e+01 1.557488011749e-02
|
||||
11.5 2.716856871595e-06 2.697812005999e-06 2.399999730215e+01 2.462240289774e-02
|
||||
11.8333 8.598766106045e-06 8.542754913791e-06 2.399999145719e+01 3.834130427899e-02
|
||||
12.1667 2.611765408526e-05 2.596020313725e-05 2.399997403971e+01 5.868256891991e-02
|
||||
12.5 7.608821445992e-05 7.566556896871e-05 2.399992433429e+01 8.822180939102e-02
|
||||
12.8333 2.124903882618e-04 2.114081363373e-04 2.399978859166e+01 1.302549940487e-01
|
||||
13.1667 5.685276979853e-04 5.658869115669e-04 2.399943411280e+01 1.888677435751e-01
|
||||
13.5 1.456485427866e-03 1.450352183380e-03 2.399854964740e+01 2.689553860812e-01
|
||||
13.8333 3.570725867122e-03 3.557184499311e-03 2.399644281492e+01 3.761678784761e-01
|
||||
14.1667 8.372605102191e-03 8.344221149602e-03 2.399165577806e+01 5.167533414725e-01
|
||||
14.5 1.876649314861e-02 1.871009046794e-02 2.398128990847e+01 6.972776485195e-01
|
||||
14.8333 4.018818934234e-02 4.008209924101e-02 2.395991789936e+01 9.242063091054e-01
|
||||
15.1667 8.218523044497e-02 8.199665482203e-02 2.391800334337e+01 1.203349228726e+00
|
||||
15.5 1.604251797020e-01 1.601089608817e-01 2.383989103684e+01 1.539188295216e+00
|
||||
15.8333 2.987842293055e-01 2.982848391674e-01 2.370171515802e+01 1.934130436523e+00
|
||||
16.1667 5.307560799548e-01 5.300144684538e-01 2.346998552818e+01 2.387751903536e+00
|
||||
16.5 8.989923689458e-01 8.979578317650e-01 2.310204216431e+01 2.896119155482e+00
|
||||
16.8333 1.451577886835e+00 1.450222207339e+00 2.254977778824e+01 3.451283515299e+00
|
||||
17.1667 2.233968006579e+00 2.232295880160e+00 2.176770411505e+01 4.041046701767e+00
|
||||
17.5 3.276605594066e+00 3.274654206808e+00 2.072534578822e+01 4.649079665424e+00
|
||||
17.8333 4.580028376255e+00 4.577852592580e+00 1.942214740255e+01 5.255447192236e+00
|
||||
18.1667 6.101260773083e+00 6.098908811257e+00 1.790109118429e+01 5.837547513114e+00
|
||||
18.5 7.746551133352e+00 7.744044346443e+00 1.625595564983e+01 6.371424480901e+00
|
||||
18.8333 9.375127722697e+00 9.372459479177e+00 1.462754051806e+01 6.833356874068e+00
|
||||
19.1667 1.081617088116e+01 1.081332896011e+01 1.318667103815e+01 7.201583440728e+00
|
||||
19.5 1.189712387179e+01 1.189412326746e+01 1.210587673167e+01 7.457991576082e+00
|
||||
19.8333 1.247719247117e+01 1.247409469918e+01 1.152590530045e+01 7.589588377770e+00
|
||||
0.166667 2.173421305916e+01 2.173403386064e+01 2.265966136455e+00 2.269804666232e+01
|
||||
0.5 1.732877230198e+01 1.732818349807e+01 6.671816494274e+00 2.011806700220e+01 9.000883903140e-08 3.998622944696e-05
|
||||
0.833333 1.328083118787e+01 1.327977600374e+01 1.072022398540e+01 1.760855984597e+01
|
||||
1.16667 9.764783869793e+00 9.763295612550e+00 1.423670437489e+01 1.521226338239e+01
|
||||
1.5 6.876979954453e+00 6.875203671268e+00 1.712479631574e+01 1.296594983171e+01 1.040652460297e-06 5.706265745224e-05
|
||||
1.83333 4.633445178532e+00 4.631592230621e+00 1.936840775692e+01 1.089878644682e+01
|
||||
2.16667 2.983957613764e+00 2.982233846709e+00 2.101776614198e+01 9.031332911156e+00
|
||||
2.5 1.835670035272e+00 1.834219344978e+00 2.216578064518e+01 7.375218041926e+00 3.202792295676e-06 1.617537639091e-05
|
||||
2.83333 1.078309641703e+00 1.077193213976e+00 2.292280677774e+01 5.933464823770e+00
|
||||
3.16667 6.047271172834e-01 6.039348411878e-01 2.339606515204e+01 4.701369003158e+00
|
||||
3.5 3.237687663205e-01 3.232468743662e-01 2.367675312023e+01 3.667790507030e+00 5.217031890564e-06 -3.366526093214e-06
|
||||
3.83333 1.655091653734e-01 1.651883636801e-01 2.383481163211e+01 2.816693051605e+00
|
||||
4.16667 8.080184009388e-02 8.061704168636e-02 2.391938295510e+01 2.128765894912e+00
|
||||
4.5 3.768529738011e-02 3.758518697799e-02 2.396241481061e+01 1.582979760725e+00 5.639342371778e-06 -2.476867167992e-06
|
||||
4.83333 1.679748179371e-02 1.674633341890e-02 2.398325366481e+01 1.157961083143e+00
|
||||
5.16667 7.158658672534e-03 7.133952391592e-03 2.399286604633e+01 8.331082803358e-01
|
||||
5.5 2.918406916536e-03 2.907101078191e-03 2.399709289802e+01 5.894142528792e-01 4.455972089242e-06 -4.912290758068e-07
|
||||
5.83333 1.138704483513e-03 1.133794318814e-03 2.399886620505e+01 4.099953343115e-01
|
||||
6.16667 4.254614091982e-04 4.234343206106e-04 2.399957656525e+01 2.803548753978e-01
|
||||
6.5 1.523110828883e-04 1.515144739596e-04 2.399984848524e+01 1.884278508359e-01 2.697942282987e-06 -4.814123673435e-08
|
||||
6.83333 5.227158933236e-05 5.197321123209e-05 2.399994802660e+01 1.244614394111e-01
|
||||
7.16667 1.720693831522e-05 1.710029263492e-05 2.399998289958e+01 8.078687428985e-02
|
||||
7.5 5.436060934909e-06 5.399649415858e-06 2.399999460027e+01 5.153218579106e-02 1.262649985228e-06 -2.664487783102e-09
|
||||
7.83333 1.649088195275e-06 1.637200882983e-06 2.399999836275e+01 3.231618817632e-02
|
||||
8.16667 4.806358157844e-07 4.769214798001e-07 2.399999952305e+01 1.995341519605e-02
|
||||
8.5 1.346685590700e-07 1.335566766303e-07 2.399999986642e+01 1.218943044883e-02 2.986653145739e-07 -8.898265268152e-11
|
||||
8.83333 3.634651793240e-08 3.602679113519e-08 2.399999996396e+01 7.477181955867e-03
|
||||
9.16667 9.688299803978e-09 9.597461159179e-09 2.399999999040e+01 4.798414843919e-03
|
||||
9.5 3.521245209155e-09 3.486098607328e-09 2.399999999651e+01 3.529705336617e-03
|
||||
9.83333 5.266729325119e-09 5.215572366246e-09 2.399999999478e+01 3.350197792357e-03
|
||||
10.1667 1.826814042878e-08 1.810189577515e-08 2.399999998189e+01 4.187174719459e-03
|
||||
10.5 6.734157441183e-08 6.676539459846e-08 2.399999993322e+01 6.195634766519e-03
|
||||
10.8333 2.402572726136e-07 2.383277400047e-07 2.399999976166e+01 9.768547401637e-03
|
||||
11.1667 8.242629300769e-07 8.180679126515e-07 2.399999918191e+01 1.557488011882e-02
|
||||
11.5 2.716856871595e-06 2.697812059716e-06 2.399999730215e+01 2.462240289906e-02
|
||||
11.8333 8.598766106045e-06 8.542755015490e-06 2.399999145719e+01 3.834130428025e-02
|
||||
12.1667 2.611765408526e-05 2.596020332197e-05 2.399997403971e+01 5.868256892109e-02
|
||||
12.5 7.608821445992e-05 7.566556929096e-05 2.399992433429e+01 8.822180939210e-02
|
||||
12.8333 2.124903882618e-04 2.114081368778e-04 2.399978859166e+01 1.302549940497e-01
|
||||
13.1667 5.685276979853e-04 5.658869124388e-04 2.399943411280e+01 1.888677435760e-01
|
||||
13.5 1.456485427866e-03 1.450352184734e-03 2.399854964740e+01 2.689553860820e-01
|
||||
13.8333 3.570725867122e-03 3.557184501335e-03 2.399644281492e+01 3.761678784768e-01
|
||||
14.1667 8.372605102191e-03 8.344221152514e-03 2.399165577806e+01 5.167533414733e-01
|
||||
14.5 1.876649314861e-02 1.871009047197e-02 2.398128990847e+01 6.972776485204e-01
|
||||
14.8333 4.018818934234e-02 4.008209924639e-02 2.395991789936e+01 9.242063091065e-01
|
||||
15.1667 8.218523044497e-02 8.199665482891e-02 2.391800334337e+01 1.203349228727e+00
|
||||
15.5 1.604251797020e-01 1.601089608901e-01 2.383989103684e+01 1.539188295218e+00
|
||||
15.8333 2.987842293055e-01 2.982848391773e-01 2.370171515802e+01 1.934130436525e+00
|
||||
16.1667 5.307560799548e-01 5.300144684649e-01 2.346998552818e+01 2.387751903539e+00
|
||||
16.5 8.989923689458e-01 8.979578317768e-01 2.310204216431e+01 2.896119155486e+00
|
||||
16.8333 1.451577886835e+00 1.450222207351e+00 2.254977778824e+01 3.451283515303e+00
|
||||
17.1667 2.233968006579e+00 2.232295880171e+00 2.176770411505e+01 4.041046701772e+00
|
||||
17.5 3.276605594066e+00 3.274654206819e+00 2.072534578822e+01 4.649079665430e+00
|
||||
17.8333 4.580028376255e+00 4.577852592589e+00 1.942214740255e+01 5.255447192243e+00
|
||||
18.1667 6.101260773083e+00 6.098908811265e+00 1.790109118429e+01 5.837547513121e+00
|
||||
18.5 7.746551133352e+00 7.744044346449e+00 1.625595564983e+01 6.371424480908e+00
|
||||
18.8333 9.375127722697e+00 9.372459479182e+00 1.462754051806e+01 6.833356874076e+00
|
||||
19.1667 1.081617088116e+01 1.081332896012e+01 1.318667103815e+01 7.201583440737e+00
|
||||
19.5 1.189712387179e+01 1.189412326747e+01 1.210587673168e+01 7.457991576091e+00
|
||||
19.8333 1.247719247117e+01 1.247409469918e+01 1.152590530046e+01 7.589588377779e+00
|
||||
dist_x temp Na_mmol K_mmol Cl_mmol error_Cl error_Na
|
||||
-99 25.000 0.0000e+00 0.0000e+00 0.0000e+00
|
||||
|
||||
@ -236,7 +236,7 @@ X 1.000e-03 mol
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = -1.450e-09
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
|
||||
Iterations = 5
|
||||
Iterations = 0
|
||||
Total H = 1.110124e+02
|
||||
Total O = 5.550973e+01
|
||||
|
||||
@ -330,7 +330,7 @@ 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 0.26 Seconds.
|
||||
------------------------------
|
||||
-----------------------------
|
||||
End of Run after 0.2 Seconds.
|
||||
-----------------------------
|
||||
|
||||
|
||||
@ -236,7 +236,7 @@ X 1.000e-03 mol
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = -1.450e-09
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
|
||||
Iterations = 5
|
||||
Iterations = 0
|
||||
Total H = 1.110124e+02
|
||||
Total O = 5.550973e+01
|
||||
|
||||
@ -841,7 +841,7 @@ WARNING: Dispersivities were read for 1 cells. Last value is used till cell 20.
|
||||
30 plot_xy dist, TOT("Cl")*1000, color = Green, symbol = Plus
|
||||
-end
|
||||
END
|
||||
------------------------------
|
||||
End of Run after 0.75 Seconds.
|
||||
------------------------------
|
||||
-----------------------------
|
||||
End of Run after 0.6 Seconds.
|
||||
-----------------------------
|
||||
|
||||
|
||||
@ -236,7 +236,7 @@ X 1.000e-03 mol
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = -1.450e-09
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
|
||||
Iterations = 5
|
||||
Iterations = 0
|
||||
Total H = 1.110124e+02
|
||||
Total O = 5.550973e+01
|
||||
|
||||
@ -450,7 +450,7 @@ 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 0.25 Seconds.
|
||||
------------------------------
|
||||
-----------------------------
|
||||
End of Run after 0.2 Seconds.
|
||||
-----------------------------
|
||||
|
||||
|
||||
@ -236,7 +236,7 @@ X 1.000e-03 mol
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = -1.450e-09
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
|
||||
Iterations = 5
|
||||
Iterations = 0
|
||||
Total H = 1.110124e+02
|
||||
Total O = 5.550973e+01
|
||||
|
||||
@ -770,7 +770,7 @@ 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 0.51 Seconds.
|
||||
------------------------------
|
||||
-----------------------------
|
||||
End of Run after 0.4 Seconds.
|
||||
-----------------------------
|
||||
|
||||
|
||||
14
ex14.out
14
ex14.out
@ -246,9 +246,9 @@ Dolomite 0.00 -17.09 -17.09 1.600e+00 1.599e+00 -1.016e-03
|
||||
Total alkalinity (eq/kg) = 3.939e-03
|
||||
Total CO2 (mol/kg) = 4.008e-03
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = 3.248e-15
|
||||
Electrical balance (eq) = 4.981e-13
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
||||
Iterations = 5
|
||||
Iterations = 3
|
||||
Total H = 1.110163e+02
|
||||
Total O = 5.553712e+01
|
||||
|
||||
@ -280,7 +280,7 @@ C(4) 4.008e-03
|
||||
Ca 4.645e-01
|
||||
Ca+2 4.621e-01 7.091e-01 -0.335 -0.149 0.186 -13.79
|
||||
CaHCO3+ 1.726e-03 1.045e-03 -2.763 -2.981 -0.218 10.08
|
||||
CaSO4 6.995e-04 3.729e-03 -3.155 -2.428 0.727 7.50
|
||||
CaSO4 6.994e-04 3.729e-03 -3.155 -2.428 0.727 7.50
|
||||
CaCO3 1.044e-06 5.565e-06 -5.981 -5.255 0.727 -14.60
|
||||
CaOH+ 1.449e-08 7.962e-08 -7.839 -7.099 0.740 (0)
|
||||
CaHSO4+ 5.172e-09 2.842e-08 -8.286 -7.546 0.740 (0)
|
||||
@ -308,7 +308,7 @@ S(-2) 0.000e+00
|
||||
S-2 0.000e+00 0.000e+00 -147.759 -148.772 -1.013 (0)
|
||||
S(6) 4.725e-03
|
||||
NaSO4- 2.747e-03 1.589e-03 -2.561 -2.799 -0.238 42.57
|
||||
CaSO4 6.995e-04 3.729e-03 -3.155 -2.428 0.727 7.50
|
||||
CaSO4 6.994e-04 3.729e-03 -3.155 -2.428 0.727 7.50
|
||||
MgSO4 6.830e-04 3.641e-03 -3.166 -2.439 0.727 5.84
|
||||
SO4-2 5.955e-04 2.957e-05 -3.225 -4.529 -1.304 24.07
|
||||
CaHSO4+ 5.172e-09 2.842e-08 -8.286 -7.546 0.740 (0)
|
||||
@ -572,7 +572,7 @@ Dolomite 0.00 -17.09 -17.09 1.600e+00 1.599e+00 -1.359e-03
|
||||
Total alkalinity (eq/kg) = 6.099e-03
|
||||
Total CO2 (mol/kg) = 7.180e-03
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = 4.958e-15
|
||||
Electrical balance (eq) = 2.337e-15
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
||||
Iterations = 9
|
||||
Total H = 1.110125e+02
|
||||
@ -959,7 +959,7 @@ X 1.000e+00 mol
|
||||
Total alkalinity (eq/kg) = 6.097e-03
|
||||
Total CO2 (mol/kg) = 7.179e-03
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = 6.577e-09
|
||||
Electrical balance (eq) = 6.579e-09
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
||||
Iterations = 13
|
||||
Total H = 1.110125e+02
|
||||
@ -1055,6 +1055,6 @@ Reading input data for simulation 6.
|
||||
------------------------------------
|
||||
|
||||
------------------------------
|
||||
End of Run after 0.25 Seconds.
|
||||
End of Run after 0.26 Seconds.
|
||||
------------------------------
|
||||
|
||||
|
||||
2
ex14.sel
2
ex14.sel
@ -129,7 +129,7 @@
|
||||
127 1.8526e-03 1.4018e-03 2.0129e-04 4.4549e-04 7.0449e+00 2.7142e+00
|
||||
128 1.8549e-03 1.4034e-03 1.9242e-04 4.4497e-04 7.0445e+00 2.7142e+00
|
||||
129 1.8570e-03 1.4047e-03 1.8454e-04 4.4450e-04 7.0441e+00 2.7142e+00
|
||||
130 1.8589e-03 1.4059e-03 1.7754e-04 4.4409e-04 7.0438e+00 2.7142e+00
|
||||
130 1.8589e-03 1.4059e-03 1.7754e-04 4.4410e-04 7.0438e+00 2.7142e+00
|
||||
131 1.8606e-03 1.4069e-03 1.7133e-04 4.4373e-04 7.0435e+00 2.7142e+00
|
||||
132 1.8621e-03 1.4078e-03 1.6582e-04 4.4341e-04 7.0433e+00 2.7142e+00
|
||||
133 1.8635e-03 1.4086e-03 1.6093e-04 4.4313e-04 7.0430e+00 2.7142e+00
|
||||
|
||||
6
ex15.out
6
ex15.out
@ -212,7 +212,7 @@ WARNING: USER_PUNCH: Headings count doesn't match number of calls to PUNCH.
|
||||
TRANSPORT Last 55 hours with background infilling solution
|
||||
shifts 110
|
||||
END
|
||||
------------------------------
|
||||
End of Run after 14.1 Seconds.
|
||||
------------------------------
|
||||
-------------------------------
|
||||
End of Run after 10.97 Seconds.
|
||||
-------------------------------
|
||||
|
||||
|
||||
16
ex15.sel
16
ex15.sel
@ -4,9 +4,9 @@
|
||||
1 transp 10 9.5 7200 2 6 14.3937 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 2.5000e+00 0.0000e+00 0.0000e+00 1.3544e-04
|
||||
1 transp 10 9.5 10800 3 6 14.3937 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 3.5000e+00 0.0000e+00 0.0000e+00 1.3515e-04
|
||||
1 transp 10 9.5 14400 4 6 14.3937 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 4.5000e+00 0.0000e+00 0.0000e+00 1.3487e-04
|
||||
1 transp 10 9.5 18000 5 6 14.3937 4.1636e-17 4.8355e-19 8.3075e-13 2.3172e-14 5.5000e+00 6.1781e-18 1.4377e-22 1.3459e-04
|
||||
1 transp 10 9.5 21600 6 6.00019 14.3935 5.3586e-15 7.6671e-15 1.0687e-10 2.8548e-12 6.5000e+00 1.0994e-15 2.6066e-18 1.3431e-04
|
||||
1 transp 10 9.5 25200 7 6.00441 14.3893 1.1039e-13 3.4338e-12 2.1803e-09 6.2065e-11 7.5000e+00 2.2731e-14 9.7753e-16 1.3406e-04
|
||||
1 transp 10 9.5 18000 5 6 14.3937 4.1637e-17 4.8356e-19 8.3076e-13 2.3172e-14 5.5000e+00 6.1781e-18 1.4377e-22 1.3459e-04
|
||||
1 transp 10 9.5 21600 6 6.00019 14.3935 5.3587e-15 7.6672e-15 1.0687e-10 2.8548e-12 6.5000e+00 1.0994e-15 2.6066e-18 1.3431e-04
|
||||
1 transp 10 9.5 25200 7 6.00441 14.3893 1.1039e-13 3.4338e-12 2.1803e-09 6.2065e-11 7.5000e+00 2.2731e-14 9.7754e-16 1.3406e-04
|
||||
1 transp 10 9.5 28800 8 6.03587 14.3576 8.7248e-13 1.8088e-10 1.6028e-08 4.1366e-10 8.5000e+00 1.5703e-13 4.8045e-14 1.3399e-04
|
||||
1 transp 10 9.5 32400 9 6.12883 14.264 3.7779e-12 1.9561e-09 5.6030e-08 1.0331e-09 9.5000e+00 4.8525e-13 5.5433e-13 1.3445e-04
|
||||
1 transp 10 9.5 36000 10 6.2369 14.1549 9.6448e-12 8.0004e-09 1.1153e-07 1.6551e-09 1.0500e+01 9.8421e-13 2.4608e-12 1.3556e-04
|
||||
@ -81,14 +81,14 @@
|
||||
3 transp 20 9.75 7200 4 6 14.3937 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 2.2500e+00 0.0000e+00 0.0000e+00 1.3544e-04
|
||||
3 transp 20 9.75 10800 6 6 14.3937 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 3.2500e+00 0.0000e+00 0.0000e+00 1.3515e-04
|
||||
3 transp 20 9.75 14400 8 6 14.3937 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 4.2500e+00 0.0000e+00 0.0000e+00 1.3487e-04
|
||||
3 transp 20 9.75 18000 10 6 14.3937 1.5238e-20 5.3050e-26 3.0404e-16 6.9464e-18 5.2500e+00 6.1742e-22 4.9718e-30 1.3459e-04
|
||||
3 transp 20 9.75 21600 12 6.00001 14.3937 1.5975e-16 4.1405e-18 3.1874e-12 5.1715e-14 6.2500e+00 6.9697e-18 4.6156e-22 1.3431e-04
|
||||
3 transp 20 9.75 18000 10 6 14.3937 1.5238e-20 5.3049e-26 3.0403e-16 6.9464e-18 5.2500e+00 6.1742e-22 4.9718e-30 1.3459e-04
|
||||
3 transp 20 9.75 21600 12 6.00001 14.3937 1.5975e-16 4.1406e-18 3.1874e-12 5.1715e-14 6.2500e+00 6.9697e-18 4.6156e-22 1.3431e-04
|
||||
3 transp 20 9.75 25200 14 6.00099 14.3927 2.2502e-14 7.4018e-14 4.4795e-10 6.5633e-12 7.2500e+00 1.1424e-15 1.0363e-17 1.3404e-04
|
||||
3 transp 20 9.75 28800 16 6.0195 14.3741 4.3142e-13 2.8750e-11 8.2301e-09 1.3296e-10 8.2500e+00 2.6874e-14 4.0925e-15 1.3383e-04
|
||||
3 transp 20 9.75 32400 18 6.0982 14.2948 2.5897e-12 6.9410e-10 4.1215e-08 5.3477e-10 9.2500e+00 1.5046e-13 1.1367e-13 1.3395e-04
|
||||
3 transp 20 9.75 36000 20 6.20728 14.1848 7.5082e-12 3.8106e-09 9.2952e-08 1.0126e-09 1.0250e+01 4.0151e-13 7.6561e-13 1.3465e-04
|
||||
3 transp 20 9.75 39600 22 6.28545 14.1059 1.3116e-11 1.1318e-08 1.3563e-07 1.7217e-09 1.1250e+01 8.1923e-13 2.6789e-12 1.3586e-04
|
||||
3 transp 20 9.75 43200 24 6.33761 14.0534 1.7886e-11 2.5308e-08 1.6402e-07 2.8233e-09 1.2250e+01 1.4963e-12 6.7447e-12 1.3740e-04
|
||||
3 transp 20 9.75 43200 24 6.33761 14.0534 1.7886e-11 2.5308e-08 1.6402e-07 2.8233e-09 1.2250e+01 1.4964e-12 6.7447e-12 1.3740e-04
|
||||
3 transp 20 9.75 46800 26 6.37759 14.0132 2.2122e-11 4.8085e-08 1.8503e-07 4.3370e-09 1.3250e+01 2.5327e-12 1.4004e-11 1.3918e-04
|
||||
3 transp 20 9.75 50400 28 6.41058 13.98 2.6101e-11 8.1880e-08 2.0233e-07 6.2593e-09 1.4250e+01 4.0203e-12 2.5577e-11 1.4114e-04
|
||||
3 transp 20 9.75 54000 30 6.43869 13.9517 2.9881e-11 1.2863e-07 2.1712e-07 8.5892e-09 1.5250e+01 6.0449e-12 4.2563e-11 1.4326e-04
|
||||
@ -98,7 +98,7 @@
|
||||
3 transp 20 9.75 68400 38 6.52082 13.8691 4.2945e-11 4.6679e-07 2.5828e-07 2.1688e-08 1.9250e+01 2.0945e-11 1.8130e-10 1.5310e-04
|
||||
3 transp 20 9.75 72000 40 6.53617 13.8536 4.5647e-11 5.8950e-07 2.6500e-07 2.5768e-08 2.0250e+01 2.6637e-11 2.3572e-10 1.5584e-04
|
||||
4 transp 20 9.75 72000 0 6.53617 13.8536 4.5647e-11 5.8950e-07 2.6500e-07 2.5768e-08 2.0250e+01 0.0000e+00 0.0000e+00 0.0000e+00
|
||||
4 transp 20 9.75 75600 2 6.54997 13.8397 4.8105e-11 7.2569e-07 2.7053e-07 3.0100e-08 2.1250e+01 3.3180e-11 2.9788e-10 1.5869e-04
|
||||
4 transp 20 9.75 75600 2 6.54997 13.8397 4.8105e-11 7.2569e-07 2.7053e-07 3.0100e-08 2.1250e+01 3.3181e-11 2.9788e-10 1.5869e-04
|
||||
4 transp 20 9.75 79200 4 6.5624 13.8272 5.0312e-11 8.7369e-07 2.7496e-07 3.4649e-08 2.2250e+01 4.0590e-11 3.6721e-10 1.6162e-04
|
||||
4 transp 20 9.75 82800 6 6.57359 13.8159 5.2265e-11 1.0315e-06 2.7837e-07 3.9378e-08 2.3250e+01 4.8869e-11 4.4295e-10 1.6463e-04
|
||||
4 transp 20 9.75 86400 8 6.58366 13.8058 5.3964e-11 1.1969e-06 2.8083e-07 4.4255e-08 2.4250e+01 5.8011e-11 5.2415e-10 1.6773e-04
|
||||
@ -138,7 +138,7 @@
|
||||
4 transp 20 9.75 208800 76 6.10107 14.2923 4.5247e-12 3.8709e-07 7.1536e-08 1.7070e-07 5.8250e+01 6.4410e-10 2.7315e-10 2.6534e-04
|
||||
4 transp 20 9.75 212400 78 6.08637 14.307 3.8454e-12 3.2523e-07 6.2889e-08 1.6875e-07 5.9250e+01 6.5521e-10 2.3247e-10 2.6630e-04
|
||||
4 transp 20 9.75 216000 80 6.07332 14.3201 3.2542e-12 2.7189e-07 5.4844e-08 1.6671e-07 6.0250e+01 6.6519e-10 1.9677e-10 2.6709e-04
|
||||
4 transp 20 9.75 219600 82 6.06184 14.3316 2.7422e-12 2.2626e-07 4.7453e-08 1.6463e-07 6.1250e+01 6.7412e-10 1.6570e-10 2.6770e-04
|
||||
4 transp 20 9.75 219600 82 6.06184 14.3316 2.7422e-12 2.2626e-07 4.7452e-08 1.6463e-07 6.1250e+01 6.7412e-10 1.6570e-10 2.6770e-04
|
||||
4 transp 20 9.75 223200 84 6.05183 14.3417 2.3008e-12 1.8750e-07 4.0743e-08 1.6260e-07 6.2250e+01 6.8205e-10 1.3887e-10 2.6816e-04
|
||||
4 transp 20 9.75 226800 86 6.04319 14.3504 1.9223e-12 1.5479e-07 3.4723e-08 1.6067e-07 6.3250e+01 6.8906e-10 1.1587e-10 2.6847e-04
|
||||
4 transp 20 9.75 230400 88 6.03578 14.3578 1.5993e-12 1.2734e-07 2.9385e-08 1.5887e-07 6.4250e+01 6.9524e-10 9.6273e-11 2.6865e-04
|
||||
|
||||
@ -189,7 +189,7 @@ WARNING: USER_PUNCH: Headings count doesn't match number of calls to PUNCH.
|
||||
TRANSPORT Last 55 hours with background infilling solution
|
||||
shifts 110
|
||||
END
|
||||
-------------------------------
|
||||
End of Run after 14.18 Seconds.
|
||||
-------------------------------
|
||||
----------------------------
|
||||
End of Run after 11 Seconds.
|
||||
----------------------------
|
||||
|
||||
|
||||
@ -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 14.21 Seconds.
|
||||
End of Run after 10.96 Seconds.
|
||||
-------------------------------
|
||||
|
||||
|
||||
2
ex17.out
2
ex17.out
@ -354,6 +354,6 @@ Reading input data for simulation 2.
|
||||
------------------------------------
|
||||
|
||||
------------------------------
|
||||
End of Run after 0.02 Seconds.
|
||||
End of Run after 0.03 Seconds.
|
||||
------------------------------
|
||||
|
||||
|
||||
220
ex17b.out
220
ex17b.out
@ -218,7 +218,7 @@ Phase SI log IAP log K(T, P) Initial Final Delta
|
||||
|
||||
Anhydrite -1.28 -5.51 -4.22 0.000e+00 0 0.000e+00
|
||||
Bischofite -8.02 -3.57 4.46 0.000e+00 0 0.000e+00
|
||||
CO2(g) -3.50 -4.96 -1.46 1.000e+01 1.000e+01 2.309e-13
|
||||
CO2(g) -3.50 -4.96 -1.46 1.000e+01 1.000e+01 0.000e+00
|
||||
Calcite -0.07 -8.48 -8.41 0.000e+00 0 0.000e+00
|
||||
Carnallite -11.07 -6.74 4.33 0.000e+00 0 0.000e+00
|
||||
Epsomite -2.95 -4.83 -1.88 0.000e+00 0 0.000e+00
|
||||
@ -257,8 +257,8 @@ Polyhalite -9.68 -23.43 -13.74 0.000e+00 0 0.000e+00
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = 2.250e-03
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.35
|
||||
Iterations = 13
|
||||
Gamma iterations = 5
|
||||
Iterations = 1
|
||||
Gamma iterations = 1
|
||||
Osmotic coefficient = 0.89851
|
||||
Density of water = 0.99704
|
||||
Total H = 1.110132e+02
|
||||
@ -407,8 +407,8 @@ Polyhalite -7.21 -20.95 -13.74 0.000e+00 0 0.000e+00
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = 2.250e-03
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.35
|
||||
Iterations = 20
|
||||
Gamma iterations = 5
|
||||
Iterations = 14
|
||||
Gamma iterations = 3
|
||||
Osmotic coefficient = 0.91486
|
||||
Density of water = 0.99704
|
||||
Total H = 3.901324e+01
|
||||
@ -557,8 +557,8 @@ Polyhalite -6.65 -20.39 -13.74 0.000e+00 0 0.000e+00
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = 2.250e-03
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.35
|
||||
Iterations = 15
|
||||
Gamma iterations = 5
|
||||
Iterations = 7
|
||||
Gamma iterations = 3
|
||||
Osmotic coefficient = 0.92627
|
||||
Density of water = 0.99704
|
||||
Total H = 3.101324e+01
|
||||
@ -585,7 +585,7 @@ Ca 1.970e-02
|
||||
Cl 1.049e+00
|
||||
Cl- 1.049e+00 6.161e-01 0.021 -0.210 -0.231 19.08
|
||||
K 1.775e-02
|
||||
K+ 1.775e-02 1.112e-02 -1.751 -1.954 -0.203 10.01
|
||||
K+ 1.775e-02 1.112e-02 -1.751 -1.954 -0.203 10.02
|
||||
Mg 1.005e-01
|
||||
Mg+2 1.005e-01 2.751e-02 -0.998 -1.561 -0.563 -19.97
|
||||
MgCO3 1.952e-05 1.952e-05 -4.709 -4.709 0.000 -17.09
|
||||
@ -707,8 +707,8 @@ Polyhalite -5.88 -19.62 -13.74 0.000e+00 0 0.000e+00
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = 2.250e-03
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.35
|
||||
Iterations = 16
|
||||
Gamma iterations = 5
|
||||
Iterations = 9
|
||||
Gamma iterations = 3
|
||||
Osmotic coefficient = 0.94891
|
||||
Density of water = 0.99704
|
||||
Total H = 2.301324e+01
|
||||
@ -847,7 +847,7 @@ Polyhalite -4.85 -18.59 -13.74 0.000e+00 0 0.000e+00
|
||||
pH = 7.588 Charge balance
|
||||
pe = 4.000 Adjusted to redox equilibrium
|
||||
Specific Conductance (uS/cm, 25 oC) = 148315
|
||||
Density (g/cm3) = 1.09026
|
||||
Density (g/cm3) = 1.09027
|
||||
Volume (L) = 0.14206
|
||||
Activity of water = 0.923
|
||||
Ionic strength = 2.744e+00
|
||||
@ -857,8 +857,8 @@ Polyhalite -4.85 -18.59 -13.74 0.000e+00 0 0.000e+00
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = 2.250e-03
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.35
|
||||
Iterations = 18
|
||||
Gamma iterations = 5
|
||||
Iterations = 11
|
||||
Gamma iterations = 4
|
||||
Osmotic coefficient = 1.00525
|
||||
Density of water = 0.99704
|
||||
Total H = 1.501023e+01
|
||||
@ -876,7 +876,7 @@ Polyhalite -4.85 -18.59 -13.74 0.000e+00 0 0.000e+00
|
||||
Br 3.255e-03
|
||||
Br- 3.255e-03 2.101e-03 -2.487 -2.677 -0.190 26.34
|
||||
C(4) 5.010e-04
|
||||
HCO3- 4.499e-04 1.783e-04 -3.347 -3.749 -0.402 31.13
|
||||
HCO3- 4.499e-04 1.783e-04 -3.347 -3.749 -0.402 31.12
|
||||
MgCO3 2.549e-05 2.549e-05 -4.594 -4.594 0.000 -17.09
|
||||
CO3-2 1.836e-05 3.159e-07 -4.736 -6.500 -1.764 3.96
|
||||
CO2 7.285e-06 1.096e-05 -5.138 -4.960 0.177 30.26
|
||||
@ -1007,8 +1007,8 @@ Polyhalite -4.63 -18.37 -13.74 0.000e+00 0 0.000e+00
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = 2.250e-03
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.35
|
||||
Iterations = 16
|
||||
Gamma iterations = 5
|
||||
Iterations = 8
|
||||
Gamma iterations = 3
|
||||
Osmotic coefficient = 1.03297
|
||||
Density of water = 0.99704
|
||||
Total H = 1.300694e+01
|
||||
@ -1119,7 +1119,7 @@ Phase SI log IAP log K(T, P) Initial Final Delta
|
||||
Anhydrite -0.25 -4.48 -4.22 0.000e+00 0 0.000e+00
|
||||
Bischofite -4.98 -0.52 4.46 0.000e+00 0 0.000e+00
|
||||
CO2(g) -3.50 -4.96 -1.46 1.000e+01 1.000e+01 4.536e-06
|
||||
Calcite -0.00 -8.41 -8.41 4.015e-04 4.053e-04 3.781e-06
|
||||
Calcite 0.00 -8.41 -8.41 4.015e-04 4.053e-04 3.781e-06
|
||||
Carnallite -6.11 -1.78 4.33 0.000e+00 0 0.000e+00
|
||||
Epsomite -1.84 -3.72 -1.88 0.000e+00 0 0.000e+00
|
||||
Glauberite -1.16 -6.40 -5.25 0.000e+00 0 0.000e+00
|
||||
@ -1157,8 +1157,8 @@ Polyhalite -4.34 -18.08 -13.74 0.000e+00 0 0.000e+00
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = 2.250e-03
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.35
|
||||
Iterations = 17
|
||||
Gamma iterations = 5
|
||||
Iterations = 8
|
||||
Gamma iterations = 3
|
||||
Osmotic coefficient = 1.07237
|
||||
Density of water = 0.99704
|
||||
Total H = 1.100345e+01
|
||||
@ -1176,9 +1176,9 @@ Polyhalite -4.34 -18.08 -13.74 0.000e+00 0 0.000e+00
|
||||
Br 4.440e-03
|
||||
Br- 4.440e-03 3.019e-03 -2.353 -2.520 -0.168 26.59
|
||||
C(4) 5.121e-04
|
||||
HCO3- 4.409e-04 1.530e-04 -3.356 -3.815 -0.460 33.02
|
||||
HCO3- 4.409e-04 1.530e-04 -3.356 -3.815 -0.460 33.01
|
||||
MgCO3 4.296e-05 4.296e-05 -4.367 -4.367 0.000 -17.09
|
||||
CO3-2 2.185e-05 2.411e-07 -4.661 -6.618 -1.957 5.45
|
||||
CO3-2 2.185e-05 2.411e-07 -4.661 -6.618 -1.957 5.44
|
||||
CO2 6.345e-06 1.096e-05 -5.198 -4.960 0.237 30.26
|
||||
Ca 3.016e-02
|
||||
Ca+2 3.016e-02 1.627e-02 -1.521 -1.789 -0.268 -15.20
|
||||
@ -1193,7 +1193,7 @@ Mg 2.832e-01
|
||||
Na 2.566e+00
|
||||
Na+ 2.566e+00 2.421e+00 0.409 0.384 -0.025 0.70
|
||||
S(6) 1.294e-01
|
||||
SO4-2 1.294e-01 2.037e-03 -0.888 -2.691 -1.803 24.13
|
||||
SO4-2 1.294e-01 2.037e-03 -0.888 -2.691 -1.803 24.12
|
||||
HSO4- 1.094e-08 5.638e-09 -7.961 -8.249 -0.288 41.74
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
@ -1207,7 +1207,7 @@ S(6) 1.294e-01
|
||||
Bloedite -3.15 -5.49 -2.35 Na2Mg(SO4)2:4H2O
|
||||
Brucite -2.82 -13.70 -10.88 Mg(OH)2
|
||||
Burkeite -8.92 -9.70 -0.77 Na6CO3(SO4)2
|
||||
Calcite -0.00 -8.41 -8.41 CaCO3
|
||||
Calcite 0.00 -8.41 -8.41 CaCO3
|
||||
Carnallite -6.11 -1.78 4.33 KMgCl3:6H2O
|
||||
CO2(g) -3.50 -4.96 -1.46 CO2 Pressure 0.0 atm, phi 1.000.
|
||||
Dolomite 1.38 -15.70 -17.08 CaMg(CO3)2
|
||||
@ -1307,8 +1307,8 @@ Polyhalite -3.95 -17.69 -13.74 0.000e+00 0 0.000e+00
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = 2.250e-03
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.35
|
||||
Iterations = 17
|
||||
Gamma iterations = 5
|
||||
Iterations = 9
|
||||
Gamma iterations = 4
|
||||
Osmotic coefficient = 1.13202
|
||||
Density of water = 0.99704
|
||||
Total H = 8.999797e+00
|
||||
@ -1419,7 +1419,7 @@ Phase SI log IAP log K(T, P) Initial Final Delta
|
||||
Anhydrite -0.17 -4.40 -4.22 0.000e+00 0 0.000e+00
|
||||
Bischofite -4.07 0.39 4.46 0.000e+00 0 0.000e+00
|
||||
CO2(g) -3.50 -4.96 -1.46 1.000e+01 1.000e+01 4.598e-06
|
||||
Calcite 0.00 -8.41 -8.41 4.082e-04 4.086e-04 3.617e-07
|
||||
Calcite -0.00 -8.41 -8.41 4.082e-04 4.086e-04 3.617e-07
|
||||
Carnallite -4.72 -0.39 4.33 0.000e+00 0 0.000e+00
|
||||
Epsomite -1.56 -3.44 -1.88 0.000e+00 0 0.000e+00
|
||||
Glauberite -0.53 -5.78 -5.25 0.000e+00 0 0.000e+00
|
||||
@ -1457,8 +1457,8 @@ Polyhalite -3.34 -17.09 -13.74 0.000e+00 0 0.000e+00
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = 2.250e-03
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.36
|
||||
Iterations = 20
|
||||
Gamma iterations = 6
|
||||
Iterations = 11
|
||||
Gamma iterations = 4
|
||||
Osmotic coefficient = 1.23104
|
||||
Density of water = 0.99704
|
||||
Total H = 6.996171e+00
|
||||
@ -1493,7 +1493,7 @@ Mg 4.454e-01
|
||||
Na 4.036e+00
|
||||
Na+ 4.036e+00 5.415e+00 0.606 0.734 0.128 1.32
|
||||
S(6) 1.746e-01
|
||||
SO4-2 1.746e-01 1.436e-03 -0.758 -2.843 -2.085 26.51
|
||||
SO4-2 1.746e-01 1.436e-03 -0.758 -2.843 -2.085 26.50
|
||||
HSO4- 1.061e-08 4.957e-09 -7.974 -8.305 -0.330 42.00
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
@ -1507,7 +1507,7 @@ S(6) 1.746e-01
|
||||
Bloedite -2.20 -4.55 -2.35 Na2Mg(SO4)2:4H2O
|
||||
Brucite -2.38 -13.26 -10.88 Mg(OH)2
|
||||
Burkeite -7.36 -8.13 -0.77 Na6CO3(SO4)2
|
||||
Calcite 0.00 -8.41 -8.41 CaCO3
|
||||
Calcite -0.00 -8.41 -8.41 CaCO3
|
||||
Carnallite -4.72 -0.39 4.33 KMgCl3:6H2O
|
||||
CO2(g) -3.50 -4.96 -1.46 CO2 Pressure 0.0 atm, phi 1.000.
|
||||
Dolomite 1.86 -15.22 -17.08 CaMg(CO3)2
|
||||
@ -1607,8 +1607,8 @@ Polyhalite -2.40 -16.14 -13.74 0.000e+00 0 0.000e+00
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = 2.250e-03
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.39
|
||||
Iterations = 20
|
||||
Gamma iterations = 6
|
||||
Iterations = 15
|
||||
Gamma iterations = 5
|
||||
Osmotic coefficient = 1.37578
|
||||
Density of water = 0.99704
|
||||
Total H = 4.993375e+00
|
||||
@ -1626,7 +1626,7 @@ Polyhalite -2.40 -16.14 -13.74 0.000e+00 0 0.000e+00
|
||||
Br 9.785e-03
|
||||
Br- 9.785e-03 8.930e-03 -2.009 -2.049 -0.040 27.34
|
||||
C(4) 9.143e-04
|
||||
HCO3- 5.083e-04 8.949e-05 -3.294 -4.048 -0.754 40.28
|
||||
HCO3- 5.083e-04 8.949e-05 -3.294 -4.048 -0.754 40.27
|
||||
MgCO3 3.704e-04 3.704e-04 -3.431 -3.431 0.000 -17.09
|
||||
CO3-2 3.187e-05 9.918e-08 -4.497 -7.004 -2.507 10.45
|
||||
CO2 3.709e-06 1.096e-05 -5.431 -4.960 0.471 30.26
|
||||
@ -1635,13 +1635,13 @@ Ca 1.054e-02
|
||||
Cl 5.998e+00
|
||||
Cl- 5.998e+00 3.852e+00 0.778 0.586 -0.192 20.28
|
||||
K 1.103e-01
|
||||
K+ 1.103e-01 9.444e-02 -0.958 -1.025 -0.067 12.72
|
||||
K+ 1.103e-01 9.444e-02 -0.958 -1.025 -0.067 12.71
|
||||
Mg 6.241e-01
|
||||
Mg+2 6.235e-01 4.407e+00 -0.205 0.644 0.849 -17.19
|
||||
MgCO3 3.704e-04 3.704e-04 -3.431 -3.431 0.000 -17.09
|
||||
MgOH+ 1.864e-04 1.226e-04 -3.730 -3.911 -0.182 (0)
|
||||
Na 5.138e+00
|
||||
Na+ 5.138e+00 9.646e+00 0.711 0.984 0.274 1.80
|
||||
Na+ 5.138e+00 9.646e+00 0.711 0.984 0.274 1.79
|
||||
S(6) 2.291e-01
|
||||
SO4-2 2.291e-01 1.211e-03 -0.640 -2.917 -2.277 28.20
|
||||
HSO4- 1.093e-08 4.766e-09 -7.961 -8.322 -0.360 42.17
|
||||
@ -1719,10 +1719,10 @@ Phase SI log IAP log K(T, P) Initial Final Delta
|
||||
Anhydrite -0.08 -4.31 -4.22 0.000e+00 0 0.000e+00
|
||||
Bischofite -3.11 1.34 4.46 0.000e+00 0 0.000e+00
|
||||
CO2(g) -3.50 -4.96 -1.46 1.000e+01 1.000e+01 4.270e-06
|
||||
Calcite 0.00 -8.41 -8.41 4.004e-04 3.970e-04 -3.400e-06
|
||||
Calcite -0.00 -8.41 -8.41 4.004e-04 3.970e-04 -3.400e-06
|
||||
Carnallite -3.17 1.16 4.33 0.000e+00 0 0.000e+00
|
||||
Epsomite -0.99 -2.87 -1.88 0.000e+00 0 0.000e+00
|
||||
Glauberite 0.00 -5.24 -5.25 0.000e+00 2.034e-03 2.034e-03
|
||||
Glauberite -0.00 -5.25 -5.25 0.000e+00 2.034e-03 2.034e-03
|
||||
Gypsum 0.00 -4.58 -4.58 4.966e-03 3.182e-03 -1.784e-03
|
||||
Halite 0.00 1.57 1.57 2.327e-02 1.303e-01 1.071e-01
|
||||
Hexahydrite -1.10 -2.73 -1.63 0.000e+00 0 0.000e+00
|
||||
@ -1757,8 +1757,8 @@ Polyhalite -1.50 -15.25 -13.74 0.000e+00 0 0.000e+00
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = 2.250e-03
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.62
|
||||
Iterations = 21
|
||||
Gamma iterations = 6
|
||||
Iterations = 12
|
||||
Gamma iterations = 4
|
||||
Osmotic coefficient = 1.45089
|
||||
Density of water = 0.99704
|
||||
Total H = 3.000512e+00
|
||||
@ -1770,7 +1770,7 @@ Polyhalite -1.50 -15.25 -13.74 0.000e+00 0 0.000e+00
|
||||
MacInnes Log Log Log mole V
|
||||
Species Molality Activity Molality Activity Gamma cm3/mol
|
||||
|
||||
OH- 1.275e-06 1.848e-07 -5.895 -6.733 -0.839 6.02
|
||||
OH- 1.275e-06 1.848e-07 -5.895 -6.733 -0.839 6.03
|
||||
H+ 4.083e-09 3.983e-08 -8.389 -7.400 0.989 0.00
|
||||
H2O 5.551e+01 7.307e-01 1.744 -0.136 0.000 18.07
|
||||
Br 1.628e-02
|
||||
@ -1781,7 +1781,7 @@ C(4) 1.489e-03
|
||||
CO3-2 6.550e-05 1.053e-07 -4.184 -6.978 -2.794 11.26
|
||||
CO2 3.528e-06 1.096e-05 -5.453 -4.960 0.492 30.26
|
||||
Ca 8.447e-03
|
||||
Ca+2 8.447e-03 3.727e-02 -2.073 -1.429 0.645 -13.51
|
||||
Ca+2 8.447e-03 3.727e-02 -2.073 -1.429 0.645 -13.50
|
||||
Cl 6.020e+00
|
||||
Cl- 6.020e+00 3.970e+00 0.780 0.599 -0.181 20.37
|
||||
K 1.835e-01
|
||||
@ -1807,14 +1807,14 @@ S(6) 2.968e-01
|
||||
Bloedite -1.05 -3.40 -2.35 Na2Mg(SO4)2:4H2O
|
||||
Brucite -1.62 -12.50 -10.88 Mg(OH)2
|
||||
Burkeite -6.14 -6.91 -0.77 Na6CO3(SO4)2
|
||||
Calcite 0.00 -8.41 -8.41 CaCO3
|
||||
Calcite -0.00 -8.41 -8.41 CaCO3
|
||||
Carnallite -3.17 1.16 4.33 KMgCl3:6H2O
|
||||
CO2(g) -3.50 -4.96 -1.46 CO2 Pressure 0.0 atm, phi 1.000.
|
||||
Dolomite 2.66 -14.42 -17.08 CaMg(CO3)2
|
||||
Epsomite -0.99 -2.87 -1.88 MgSO4:7H2O
|
||||
Gaylussite -4.70 -14.12 -9.42 CaNa2(CO3)2:5H2O
|
||||
Glaserite -3.33 -7.13 -3.80 NaK3(SO4)2
|
||||
Glauberite 0.00 -5.24 -5.25 Na2Ca(SO4)2
|
||||
Glauberite -0.00 -5.25 -5.25 Na2Ca(SO4)2
|
||||
Gypsum 0.00 -4.58 -4.58 CaSO4:2H2O
|
||||
H2O(g) -1.64 -0.14 1.50 H2O
|
||||
Halite 0.00 1.57 1.57 NaCl
|
||||
@ -1907,8 +1907,8 @@ Polyhalite -1.16 -14.91 -13.74 0.000e+00 0 0.000e+00
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = 2.250e-03
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.74
|
||||
Iterations = 20
|
||||
Gamma iterations = 6
|
||||
Iterations = 9
|
||||
Gamma iterations = 3
|
||||
Osmotic coefficient = 1.49143
|
||||
Density of water = 0.99704
|
||||
Total H = 2.502346e+00
|
||||
@ -2047,7 +2047,7 @@ Polyhalite -0.71 -14.45 -13.74 0.000e+00 0 0.000e+00
|
||||
pH = 7.406 Charge balance
|
||||
pe = 4.000 Adjusted to redox equilibrium
|
||||
Specific Conductance (uS/cm, 25 oC) = 515133
|
||||
Density (g/cm3) = 1.23221
|
||||
Density (g/cm3) = 1.23219
|
||||
Volume (L) = 0.02068
|
||||
Activity of water = 0.716
|
||||
Ionic strength = 8.890e+00
|
||||
@ -2057,8 +2057,8 @@ Polyhalite -0.71 -14.45 -13.74 0.000e+00 0 0.000e+00
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = 2.250e-03
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.90
|
||||
Iterations = 24
|
||||
Gamma iterations = 6
|
||||
Iterations = 10
|
||||
Gamma iterations = 4
|
||||
Osmotic coefficient = 1.55543
|
||||
Density of water = 0.99704
|
||||
Total H = 2.003533e+00
|
||||
@ -2070,18 +2070,18 @@ Polyhalite -0.71 -14.45 -13.74 0.000e+00 0 0.000e+00
|
||||
MacInnes Log Log Log mole V
|
||||
Species Molality Activity Molality Activity Gamma cm3/mol
|
||||
|
||||
OH- 1.883e-06 1.836e-07 -5.725 -6.736 -1.011 6.96
|
||||
OH- 1.883e-06 1.836e-07 -5.725 -6.736 -1.011 6.97
|
||||
H+ 3.323e-09 3.927e-08 -8.479 -7.406 1.073 0.00
|
||||
H2O 5.551e+01 7.157e-01 1.744 -0.145 0.000 18.07
|
||||
Br 2.439e-02
|
||||
Br- 2.439e-02 2.652e-02 -1.613 -1.576 0.036 27.59
|
||||
C(4) 2.599e-03
|
||||
MgCO3 1.718e-03 1.718e-03 -2.765 -2.765 0.000 -17.09
|
||||
HCO3- 7.320e-04 9.100e-05 -3.135 -4.041 -0.905 43.24
|
||||
CO3-2 1.452e-04 1.061e-07 -3.838 -6.974 -3.136 12.30
|
||||
HCO3- 7.320e-04 9.100e-05 -3.135 -4.041 -0.905 43.25
|
||||
CO3-2 1.452e-04 1.061e-07 -3.838 -6.974 -3.136 12.31
|
||||
CO2 3.281e-06 1.096e-05 -5.484 -4.960 0.524 30.26
|
||||
Ca 6.539e-03
|
||||
Ca+2 6.539e-03 3.698e-02 -2.185 -1.432 0.753 -13.18
|
||||
Ca+2 6.539e-03 3.698e-02 -2.185 -1.432 0.753 -13.17
|
||||
Cl 6.075e+00
|
||||
Cl- 6.075e+00 4.154e+00 0.784 0.618 -0.165 20.47
|
||||
K 2.748e-01
|
||||
@ -2093,7 +2093,7 @@ Mg 1.555e+00
|
||||
Na 3.609e+00
|
||||
Na+ 3.609e+00 8.943e+00 0.557 0.951 0.394 2.20
|
||||
S(6) 3.893e-01
|
||||
SO4-2 3.893e-01 1.387e-03 -0.410 -2.858 -2.448 29.57
|
||||
SO4-2 3.893e-01 1.387e-03 -0.410 -2.858 -2.448 29.58
|
||||
HSO4- 8.131e-09 5.188e-09 -8.090 -8.285 -0.195 42.29
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
@ -2172,7 +2172,7 @@ CO2(g) -3.50 -4.96 -1.46 1.000e+01 1.000e+01 1.362e-06
|
||||
Calcite 0.00 -8.41 -8.41 3.876e-04 3.777e-04 -9.938e-06
|
||||
Carnallite -2.35 1.98 4.33 0.000e+00 0 0.000e+00
|
||||
Epsomite -0.56 -2.44 -1.88 0.000e+00 0 0.000e+00
|
||||
Glauberite 0.00 -5.24 -5.25 2.909e-03 2.946e-03 3.731e-05
|
||||
Glauberite -0.00 -5.25 -5.25 2.909e-03 2.946e-03 3.731e-05
|
||||
Gypsum 0.00 -4.58 -4.58 2.427e-03 2.437e-03 9.592e-06
|
||||
Halite 0.00 1.57 1.57 1.834e-01 2.020e-01 1.864e-02
|
||||
Hexahydrite -0.66 -2.29 -1.63 0.000e+00 0 0.000e+00
|
||||
@ -2197,7 +2197,7 @@ Polyhalite -0.27 -14.01 -13.74 0.000e+00 0 0.000e+00
|
||||
pH = 7.410 Charge balance
|
||||
pe = 4.000 Adjusted to redox equilibrium
|
||||
Specific Conductance (uS/cm, 25 oC) = 539390
|
||||
Density (g/cm3) = 1.24052
|
||||
Density (g/cm3) = 1.24050
|
||||
Volume (L) = 0.01709
|
||||
Activity of water = 0.704
|
||||
Ionic strength = 9.513e+00
|
||||
@ -2207,8 +2207,8 @@ Polyhalite -0.27 -14.01 -13.74 0.000e+00 0 0.000e+00
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = 2.250e-03
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 1.06
|
||||
Iterations = 21
|
||||
Gamma iterations = 6
|
||||
Iterations = 10
|
||||
Gamma iterations = 4
|
||||
Osmotic coefficient = 1.62789
|
||||
Density of water = 0.99704
|
||||
Total H = 1.651494e+00
|
||||
@ -2220,15 +2220,15 @@ Polyhalite -0.27 -14.01 -13.74 0.000e+00 0 0.000e+00
|
||||
MacInnes Log Log Log mole V
|
||||
Species Molality Activity Molality Activity Gamma cm3/mol
|
||||
|
||||
OH- 2.395e-06 1.822e-07 -5.621 -6.739 -1.119 7.62
|
||||
OH- 2.395e-06 1.822e-07 -5.621 -6.739 -1.119 7.63
|
||||
H+ 2.854e-09 3.893e-08 -8.545 -7.410 1.135 0.00
|
||||
H2O 5.551e+01 7.041e-01 1.744 -0.152 0.000 18.07
|
||||
Br 2.959e-02
|
||||
Br- 2.959e-02 3.424e-02 -1.529 -1.465 0.063 27.69
|
||||
C(4) 3.729e-03
|
||||
MgCO3 2.642e-03 2.642e-03 -2.578 -2.578 0.000 -17.09
|
||||
HCO3- 8.487e-04 9.030e-05 -3.071 -4.044 -0.973 44.43
|
||||
CO3-2 2.356e-04 1.062e-07 -3.628 -6.974 -3.346 13.03
|
||||
HCO3- 8.487e-04 9.030e-05 -3.071 -4.044 -0.973 44.45
|
||||
CO3-2 2.356e-04 1.062e-07 -3.628 -6.974 -3.346 13.04
|
||||
CO2 3.098e-06 1.096e-05 -5.509 -4.960 0.549 30.26
|
||||
Ca 5.448e-03
|
||||
Ca+2 5.448e-03 3.695e-02 -2.264 -1.432 0.831 -12.94
|
||||
@ -2237,13 +2237,13 @@ Cl 6.117e+00
|
||||
K 3.334e-01
|
||||
K+ 3.334e-01 3.410e-01 -0.477 -0.467 0.010 13.65
|
||||
Mg 1.887e+00
|
||||
Mg+2 1.883e+00 2.935e+01 0.275 1.468 1.193 -16.27
|
||||
Mg+2 1.883e+00 2.935e+01 0.275 1.468 1.193 -16.26
|
||||
MgCO3 2.642e-03 2.642e-03 -2.578 -2.578 0.000 -17.09
|
||||
MgOH+ 9.920e-04 8.242e-04 -3.003 -3.084 -0.080 (0)
|
||||
Na 3.121e+00
|
||||
Na+ 3.121e+00 8.652e+00 0.494 0.937 0.443 2.35
|
||||
Na+ 3.121e+00 8.652e+00 0.494 0.937 0.443 2.36
|
||||
S(6) 4.667e-01
|
||||
SO4-2 4.667e-01 1.434e-03 -0.331 -2.843 -2.512 30.09
|
||||
SO4-2 4.667e-01 1.434e-03 -0.331 -2.843 -2.512 30.10
|
||||
HSO4- 7.368e-09 5.319e-09 -8.133 -8.274 -0.142 42.34
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
@ -2264,7 +2264,7 @@ S(6) 4.667e-01
|
||||
Epsomite -0.56 -2.44 -1.88 MgSO4:7H2O
|
||||
Gaylussite -4.85 -14.27 -9.42 CaNa2(CO3)2:5H2O
|
||||
Glaserite -2.35 -6.15 -3.80 NaK3(SO4)2
|
||||
Glauberite 0.00 -5.24 -5.25 Na2Ca(SO4)2
|
||||
Glauberite -0.00 -5.25 -5.25 Na2Ca(SO4)2
|
||||
Gypsum 0.00 -4.58 -4.58 CaSO4:2H2O
|
||||
H2O(g) -1.66 -0.15 1.50 H2O
|
||||
Halite 0.00 1.57 1.57 NaCl
|
||||
@ -2357,8 +2357,8 @@ Polyhalite -0.11 -13.86 -13.74 0.000e+00 0 0.000e+00
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = 2.250e-03
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 1.11
|
||||
Iterations = 29
|
||||
Gamma iterations = 7
|
||||
Iterations = 8
|
||||
Gamma iterations = 3
|
||||
Osmotic coefficient = 1.65552
|
||||
Density of water = 0.99704
|
||||
Total H = 1.551229e+00
|
||||
@ -2472,7 +2472,7 @@ CO2(g) -3.50 -4.96 -1.46 1.000e+01 1.000e+01 4.715e-07
|
||||
Calcite 0.00 -8.41 -8.41 3.731e-04 3.681e-04 -4.964e-06
|
||||
Carnallite -2.16 2.17 4.33 0.000e+00 0 0.000e+00
|
||||
Epsomite -0.46 -2.34 -1.88 0.000e+00 0 0.000e+00
|
||||
Glauberite 0.00 -5.25 -5.25 2.894e-03 2.592e-03 -3.023e-04
|
||||
Glauberite -0.00 -5.25 -5.25 2.894e-03 2.592e-03 -3.023e-04
|
||||
Gypsum 0.00 -4.58 -4.58 2.503e-03 2.540e-03 3.668e-05
|
||||
Halite 0.00 1.57 1.57 2.073e-01 2.128e-01 5.477e-03
|
||||
Hexahydrite -0.54 -2.18 -1.63 0.000e+00 0 0.000e+00
|
||||
@ -2507,8 +2507,8 @@ Polyhalite 0.00 -13.74 -13.74 0.000e+00 1.399e-04 1.399e-04
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = 2.250e-03
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 1.17
|
||||
Iterations = 22
|
||||
Gamma iterations = 6
|
||||
Iterations = 8
|
||||
Gamma iterations = 3
|
||||
Osmotic coefficient = 1.68640
|
||||
Density of water = 0.99704
|
||||
Total H = 1.450522e+00
|
||||
@ -2564,7 +2564,7 @@ S(6) 5.348e-01
|
||||
Epsomite -0.46 -2.34 -1.88 MgSO4:7H2O
|
||||
Gaylussite -4.90 -14.32 -9.42 CaNa2(CO3)2:5H2O
|
||||
Glaserite -2.19 -6.00 -3.80 NaK3(SO4)2
|
||||
Glauberite 0.00 -5.25 -5.25 Na2Ca(SO4)2
|
||||
Glauberite -0.00 -5.25 -5.25 Na2Ca(SO4)2
|
||||
Gypsum 0.00 -4.58 -4.58 CaSO4:2H2O
|
||||
H2O(g) -1.66 -0.16 1.50 H2O
|
||||
Halite 0.00 1.57 1.57 NaCl
|
||||
@ -2622,7 +2622,7 @@ CO2(g) -3.50 -4.96 -1.46 1.000e+01 1.000e+01 3.995e-07
|
||||
Calcite 0.00 -8.41 -8.41 3.681e-04 3.636e-04 -4.483e-06
|
||||
Carnallite -2.14 2.19 4.33 0.000e+00 0 0.000e+00
|
||||
Epsomite -0.40 -2.29 -1.88 0.000e+00 0 0.000e+00
|
||||
Glauberite -0.00 -5.25 -5.25 2.592e-03 1.882e-03 -7.103e-04
|
||||
Glauberite 0.00 -5.25 -5.25 2.592e-03 1.882e-03 -7.103e-04
|
||||
Gypsum 0.00 -4.58 -4.58 2.540e-03 2.479e-03 -6.092e-05
|
||||
Halite 0.00 1.57 1.57 2.128e-01 2.186e-01 5.797e-03
|
||||
Hexahydrite -0.49 -2.12 -1.63 0.000e+00 0 0.000e+00
|
||||
@ -2647,7 +2647,7 @@ Polyhalite 0.00 -13.74 -13.74 1.399e-04 5.319e-04 3.920e-04
|
||||
pH = 7.411 Charge balance
|
||||
pe = 4.000 Adjusted to redox equilibrium
|
||||
Specific Conductance (uS/cm, 25 oC) = 563614
|
||||
Density (g/cm3) = 1.24995
|
||||
Density (g/cm3) = 1.24996
|
||||
Volume (L) = 0.01400
|
||||
Activity of water = 0.690
|
||||
Ionic strength = 1.022e+01
|
||||
@ -2657,8 +2657,8 @@ Polyhalite 0.00 -13.74 -13.74 1.399e-04 5.319e-04 3.920e-04
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = 2.250e-03
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 1.25
|
||||
Iterations = 21
|
||||
Gamma iterations = 6
|
||||
Iterations = 9
|
||||
Gamma iterations = 3
|
||||
Osmotic coefficient = 1.72044
|
||||
Density of water = 0.99704
|
||||
Total H = 1.349198e+00
|
||||
@ -2714,7 +2714,7 @@ S(6) 5.679e-01
|
||||
Epsomite -0.40 -2.29 -1.88 MgSO4:7H2O
|
||||
Gaylussite -4.92 -14.34 -9.42 CaNa2(CO3)2:5H2O
|
||||
Glaserite -2.31 -6.11 -3.80 NaK3(SO4)2
|
||||
Glauberite -0.00 -5.25 -5.25 Na2Ca(SO4)2
|
||||
Glauberite 0.00 -5.25 -5.25 Na2Ca(SO4)2
|
||||
Gypsum 0.00 -4.58 -4.58 CaSO4:2H2O
|
||||
H2O(g) -1.66 -0.16 1.50 H2O
|
||||
Halite 0.00 1.57 1.57 NaCl
|
||||
@ -2777,7 +2777,7 @@ Gypsum 0.00 -4.58 -4.58 2.479e-03 2.468e-03 -1.114e-05
|
||||
Halite 0.00 1.57 1.57 2.186e-01 2.244e-01 5.779e-03
|
||||
Hexahydrite -0.43 -2.06 -1.63 0.000e+00 0 0.000e+00
|
||||
Kieserite -1.12 -1.24 -0.12 0.000e+00 0 0.000e+00
|
||||
Polyhalite 0.00 -13.74 -13.74 5.319e-04 9.017e-04 3.697e-04
|
||||
Polyhalite -0.00 -13.74 -13.74 5.319e-04 9.017e-04 3.697e-04
|
||||
|
||||
-----------------------------Solution composition------------------------------
|
||||
|
||||
@ -2797,7 +2797,7 @@ Polyhalite 0.00 -13.74 -13.74 5.319e-04 9.017e-04 3.697e-04
|
||||
pH = 7.409 Charge balance
|
||||
pe = 4.000 Adjusted to redox equilibrium
|
||||
Specific Conductance (uS/cm, 25 oC) = 571695
|
||||
Density (g/cm3) = 1.25343
|
||||
Density (g/cm3) = 1.25344
|
||||
Volume (L) = 0.01295
|
||||
Activity of water = 0.685
|
||||
Ionic strength = 1.050e+01
|
||||
@ -2807,8 +2807,8 @@ Polyhalite 0.00 -13.74 -13.74 5.319e-04 9.017e-04 3.697e-04
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = 2.250e-03
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 1.34
|
||||
Iterations = 21
|
||||
Gamma iterations = 6
|
||||
Iterations = 9
|
||||
Gamma iterations = 3
|
||||
Osmotic coefficient = 1.76136
|
||||
Density of water = 0.99704
|
||||
Total H = 1.247764e+00
|
||||
@ -2883,7 +2883,7 @@ S(6) 6.105e-01
|
||||
Nesquehonite -0.56 -5.72 -5.17 MgCO3:3H2O
|
||||
Pentahydrite -0.61 -1.90 -1.28 MgSO4:5H2O
|
||||
Pirssonite -4.65 -13.88 -9.23 Na2Ca(CO3)2:2H2O
|
||||
Polyhalite 0.00 -13.74 -13.74 K2MgCa2(SO4)4:2H2O
|
||||
Polyhalite -0.00 -13.74 -13.74 K2MgCa2(SO4)4:2H2O
|
||||
Portlandite -9.73 -14.92 -5.19 Ca(OH)2
|
||||
Schoenite -1.57 -5.90 -4.33 K2Mg(SO4)2:6H2O
|
||||
Sylvite -0.75 0.15 0.90 KCl
|
||||
@ -2918,16 +2918,16 @@ Phase SI log IAP log K(T, P) Initial Final Delta
|
||||
|
||||
Anhydrite -0.02 -4.25 -4.22 0.000e+00 0 0.000e+00
|
||||
Bischofite -2.34 2.12 4.46 0.000e+00 0 0.000e+00
|
||||
CO2(g) -3.50 -4.96 -1.46 1.000e+01 1.000e+01 3.266e-07
|
||||
CO2(g) -3.50 -4.96 -1.46 1.000e+01 1.000e+01 3.265e-07
|
||||
Calcite 0.00 -8.41 -8.41 3.573e-04 3.523e-04 -5.004e-06
|
||||
Carnallite -2.09 2.24 4.33 0.000e+00 0 0.000e+00
|
||||
Epsomite -0.31 -2.19 -1.88 0.000e+00 0 0.000e+00
|
||||
Glauberite 0.00 -5.25 -5.25 1.168e-03 7.331e-04 -4.345e-04
|
||||
Glauberite -0.00 -5.25 -5.25 1.168e-03 7.331e-04 -4.345e-04
|
||||
Gypsum 0.00 -4.58 -4.58 2.468e-03 2.493e-03 2.524e-05
|
||||
Halite 0.00 1.57 1.57 2.244e-01 2.279e-01 3.459e-03
|
||||
Hexahydrite -0.39 -2.02 -1.63 0.000e+00 0 0.000e+00
|
||||
Kieserite -1.06 -1.19 -0.12 0.000e+00 0 0.000e+00
|
||||
Polyhalite 0.00 -13.74 -13.74 9.017e-04 1.111e-03 2.095e-04
|
||||
Polyhalite -0.00 -13.74 -13.74 9.017e-04 1.111e-03 2.095e-04
|
||||
|
||||
-----------------------------Solution composition------------------------------
|
||||
|
||||
@ -2957,8 +2957,8 @@ Polyhalite 0.00 -13.74 -13.74 9.017e-04 1.111e-03 2.095e-04
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = 2.250e-03
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 1.40
|
||||
Iterations = 55
|
||||
Gamma iterations = 9
|
||||
Iterations = 7
|
||||
Gamma iterations = 3
|
||||
Osmotic coefficient = 1.79008
|
||||
Density of water = 0.99704
|
||||
Total H = 1.186825e+00
|
||||
@ -2970,7 +2970,7 @@ Polyhalite 0.00 -13.74 -13.74 9.017e-04 1.111e-03 2.095e-04
|
||||
MacInnes Log Log Log mole V
|
||||
Species Molality Activity Molality Activity Gamma cm3/mol
|
||||
|
||||
OH- 3.802e-06 1.758e-07 -5.420 -6.755 -1.335 8.87
|
||||
OH- 3.802e-06 1.758e-07 -5.420 -6.755 -1.335 8.86
|
||||
H+ 2.149e-09 3.904e-08 -8.668 -7.408 1.259 0.00
|
||||
H2O 5.551e+01 6.811e-01 1.744 -0.167 0.000 18.07
|
||||
Br 4.117e-02
|
||||
@ -3014,7 +3014,7 @@ S(6) 6.423e-01
|
||||
Epsomite -0.31 -2.19 -1.88 MgSO4:7H2O
|
||||
Gaylussite -4.98 -14.40 -9.42 CaNa2(CO3)2:5H2O
|
||||
Glaserite -2.54 -6.34 -3.80 NaK3(SO4)2
|
||||
Glauberite 0.00 -5.25 -5.25 Na2Ca(SO4)2
|
||||
Glauberite -0.00 -5.25 -5.25 Na2Ca(SO4)2
|
||||
Gypsum 0.00 -4.58 -4.58 CaSO4:2H2O
|
||||
H2O(g) -1.67 -0.17 1.50 H2O
|
||||
Halite 0.00 1.57 1.57 NaCl
|
||||
@ -3033,7 +3033,7 @@ S(6) 6.423e-01
|
||||
Nesquehonite -0.51 -5.68 -5.17 MgCO3:3H2O
|
||||
Pentahydrite -0.57 -1.85 -1.28 MgSO4:5H2O
|
||||
Pirssonite -4.66 -13.90 -9.23 Na2Ca(CO3)2:2H2O
|
||||
Polyhalite 0.00 -13.74 -13.74 K2MgCa2(SO4)4:2H2O
|
||||
Polyhalite -0.00 -13.74 -13.74 K2MgCa2(SO4)4:2H2O
|
||||
Portlandite -9.74 -14.93 -5.19 Ca(OH)2
|
||||
Schoenite -1.59 -5.92 -4.33 K2Mg(SO4)2:6H2O
|
||||
Sylvite -0.78 0.12 0.90 KCl
|
||||
@ -3069,10 +3069,10 @@ Phase SI log IAP log K(T, P) Initial Final Delta
|
||||
Anhydrite -0.02 -4.24 -4.22 0.000e+00 0 0.000e+00
|
||||
Bischofite -2.28 2.17 4.46 0.000e+00 0 0.000e+00
|
||||
CO2(g) -3.50 -4.96 -1.46 1.000e+01 1.000e+01 3.712e-07
|
||||
Calcite -0.00 -8.41 -8.41 3.523e-04 3.460e-04 -6.314e-06
|
||||
Calcite 0.00 -8.41 -8.41 3.523e-04 3.460e-04 -6.314e-06
|
||||
Carnallite -2.07 2.26 4.33 0.000e+00 0 0.000e+00
|
||||
Epsomite -0.26 -2.14 -1.88 0.000e+00 0 0.000e+00
|
||||
Glauberite 0.00 -5.24 -5.25 7.331e-04 2.896e-04 -4.435e-04
|
||||
Glauberite -0.00 -5.25 -5.25 7.331e-04 2.896e-04 -4.435e-04
|
||||
Gypsum 0.00 -4.58 -4.58 2.493e-03 2.549e-03 5.643e-05
|
||||
Halite 0.00 1.57 1.57 2.279e-01 2.313e-01 3.455e-03
|
||||
Hexahydrite -0.34 -1.97 -1.63 0.000e+00 0 0.000e+00
|
||||
@ -3107,8 +3107,8 @@ Polyhalite 0.00 -13.74 -13.74 1.111e-03 1.310e-03 1.990e-04
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = 2.250e-03
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 1.46
|
||||
Iterations = 70
|
||||
Gamma iterations = 10
|
||||
Iterations = 8
|
||||
Gamma iterations = 3
|
||||
Osmotic coefficient = 1.82263
|
||||
Density of water = 0.99704
|
||||
Total H = 1.125803e+00
|
||||
@ -3120,14 +3120,14 @@ Polyhalite 0.00 -13.74 -13.74 1.111e-03 1.310e-03 1.990e-04
|
||||
MacInnes Log Log Log mole V
|
||||
Species Molality Activity Molality Activity Gamma cm3/mol
|
||||
|
||||
OH- 4.132e-06 1.742e-07 -5.384 -6.759 -1.375 9.11
|
||||
OH- 4.132e-06 1.742e-07 -5.384 -6.759 -1.375 9.10
|
||||
H+ 2.037e-09 3.913e-08 -8.691 -7.408 1.284 0.00
|
||||
H2O 5.551e+01 6.765e-01 1.744 -0.170 0.000 18.07
|
||||
Br 4.340e-02
|
||||
Br- 4.340e-02 5.706e-02 -1.363 -1.244 0.119 27.90
|
||||
C(4) 8.342e-03
|
||||
MgCO3 6.424e-03 6.424e-03 -2.192 -2.192 0.000 -17.09
|
||||
HCO3- 1.222e-03 8.633e-05 -2.913 -4.064 -1.151 47.14
|
||||
HCO3- 1.222e-03 8.633e-05 -2.913 -4.064 -1.151 47.13
|
||||
CO3-2 6.939e-04 1.010e-07 -3.159 -6.996 -3.837 14.63
|
||||
CO2 2.668e-06 1.096e-05 -5.574 -4.960 0.614 30.26
|
||||
Ca 3.531e-03
|
||||
@ -3157,14 +3157,14 @@ S(6) 6.806e-01
|
||||
Bloedite -0.29 -2.64 -2.35 Na2Mg(SO4)2:4H2O
|
||||
Brucite -0.76 -11.64 -10.88 Mg(OH)2
|
||||
Burkeite -6.41 -7.18 -0.77 Na6CO3(SO4)2
|
||||
Calcite -0.00 -8.41 -8.41 CaCO3
|
||||
Calcite 0.00 -8.41 -8.41 CaCO3
|
||||
Carnallite -2.07 2.26 4.33 KMgCl3:6H2O
|
||||
CO2(g) -3.50 -4.96 -1.46 CO2 Pressure 0.0 atm, phi 1.000.
|
||||
Dolomite 3.56 -13.53 -17.08 CaMg(CO3)2
|
||||
Epsomite -0.26 -2.14 -1.88 MgSO4:7H2O
|
||||
Gaylussite -5.00 -14.42 -9.42 CaNa2(CO3)2:5H2O
|
||||
Glaserite -2.65 -6.45 -3.80 NaK3(SO4)2
|
||||
Glauberite 0.00 -5.24 -5.25 Na2Ca(SO4)2
|
||||
Glauberite -0.00 -5.25 -5.25 Na2Ca(SO4)2
|
||||
Gypsum 0.00 -4.58 -4.58 CaSO4:2H2O
|
||||
H2O(g) -1.67 -0.17 1.50 H2O
|
||||
Halite 0.00 1.57 1.57 NaCl
|
||||
@ -3257,8 +3257,8 @@ Polyhalite 0.00 -13.74 -13.74 1.310e-03 1.483e-03 1.723e-04
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = 2.250e-03
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 1.52
|
||||
Iterations = 30
|
||||
Gamma iterations = 6
|
||||
Iterations = 8
|
||||
Gamma iterations = 3
|
||||
Osmotic coefficient = 1.86189
|
||||
Density of water = 0.99704
|
||||
Total H = 1.065289e+00
|
||||
@ -3293,7 +3293,7 @@ Mg 2.771e+00
|
||||
Na 2.068e+00
|
||||
Na+ 2.068e+00 8.088e+00 0.316 0.908 0.592 2.76
|
||||
S(6) 7.123e-01
|
||||
SO4-2 7.123e-01 1.450e-03 -0.147 -2.839 -2.691 31.39
|
||||
SO4-2 7.123e-01 1.450e-03 -0.147 -2.839 -2.691 31.40
|
||||
HSO4- 5.567e-09 5.479e-09 -8.254 -8.261 -0.007 42.44
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
@ -3403,7 +3403,7 @@ Polyhalite 0.00 -13.74 -13.74 1.483e-03 1.606e-03 1.235e-04
|
||||
pH = 7.387 Charge balance
|
||||
pe = 4.000 Adjusted to redox equilibrium
|
||||
Specific Conductance (uS/cm, 25 oC) = 605485
|
||||
Density (g/cm3) = 1.26480
|
||||
Density (g/cm3) = 1.26481
|
||||
Volume (L) = 0.01053
|
||||
Activity of water = 0.664
|
||||
Ionic strength = 1.138e+01
|
||||
@ -3413,8 +3413,8 @@ Polyhalite 0.00 -13.74 -13.74 1.483e-03 1.606e-03 1.235e-04
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = 2.250e-03
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 1.59
|
||||
Iterations = 29
|
||||
Gamma iterations = 29
|
||||
Iterations = 12
|
||||
Gamma iterations = 12
|
||||
Osmotic coefficient = 1.90536
|
||||
Density of water = 0.99704
|
||||
Total H = 1.012599e+00
|
||||
@ -3433,7 +3433,7 @@ Br 4.825e-02
|
||||
Br- 4.825e-02 6.605e-02 -1.316 -1.180 0.136 27.96
|
||||
C(4) 1.055e-02
|
||||
MgCO3 8.269e-03 8.269e-03 -2.083 -2.083 0.000 -17.09
|
||||
HCO3- 1.345e-03 8.084e-05 -2.871 -4.092 -1.221 48.02
|
||||
HCO3- 1.345e-03 8.084e-05 -2.871 -4.092 -1.221 48.01
|
||||
CO3-2 9.309e-04 9.026e-08 -3.031 -7.044 -4.013 15.14
|
||||
CO2 2.543e-06 1.096e-05 -5.595 -4.960 0.635 30.26
|
||||
Ca 3.133e-03
|
||||
@ -3533,7 +3533,7 @@ Gypsum -0.01 -4.59 -4.58 5.543e-04 0 -5.543e-04
|
||||
Halite 0.00 1.57 1.57 2.370e-01 2.396e-01 2.619e-03
|
||||
Hexahydrite -0.22 -1.85 -1.63 0.000e+00 0 0.000e+00
|
||||
Kieserite -0.81 -0.94 -0.12 0.000e+00 0 0.000e+00
|
||||
Polyhalite -0.00 -13.74 -13.74 1.606e-03 1.721e-03 1.152e-04
|
||||
Polyhalite 0.00 -13.74 -13.74 1.606e-03 1.721e-03 1.152e-04
|
||||
|
||||
-----------------------------Solution composition------------------------------
|
||||
|
||||
@ -3553,7 +3553,7 @@ Polyhalite -0.00 -13.74 -13.74 1.606e-03 1.721e-03 1.152e-04
|
||||
pH = 7.376 Charge balance
|
||||
pe = 4.000 Adjusted to redox equilibrium
|
||||
Specific Conductance (uS/cm, 25 oC) = 620182
|
||||
Density (g/cm3) = 1.26827
|
||||
Density (g/cm3) = 1.26828
|
||||
Volume (L) = 0.00993
|
||||
Activity of water = 0.655
|
||||
Ionic strength = 1.167e+01
|
||||
@ -3563,8 +3563,8 @@ Polyhalite -0.00 -13.74 -13.74 1.606e-03 1.721e-03 1.152e-04
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = 2.250e-03
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 1.66
|
||||
Iterations = 49
|
||||
Gamma iterations = 7
|
||||
Iterations = 8
|
||||
Gamma iterations = 3
|
||||
Osmotic coefficient = 1.96085
|
||||
Density of water = 0.99704
|
||||
Total H = 9.543554e-01
|
||||
@ -3591,7 +3591,7 @@ Ca 2.841e-03
|
||||
Cl 6.221e+00
|
||||
Cl- 6.221e+00 4.787e+00 0.794 0.680 -0.114 20.76
|
||||
K 1.765e-01
|
||||
K+ 1.765e-01 2.284e-01 -0.753 -0.641 0.112 14.58
|
||||
K+ 1.765e-01 2.284e-01 -0.753 -0.641 0.112 14.57
|
||||
Mg 3.065e+00
|
||||
Mg+2 3.053e+00 1.380e+02 0.485 2.140 1.655 -15.35
|
||||
MgCO3 9.875e-03 9.875e-03 -2.005 -2.005 0.000 -17.09
|
||||
@ -3639,7 +3639,7 @@ S(6) 7.367e-01
|
||||
Nesquehonite -0.32 -5.48 -5.17 MgCO3:3H2O
|
||||
Pentahydrite -0.39 -1.67 -1.28 MgSO4:5H2O
|
||||
Pirssonite -4.83 -14.07 -9.23 Na2Ca(CO3)2:2H2O
|
||||
Polyhalite -0.00 -13.74 -13.74 K2MgCa2(SO4)4:2H2O
|
||||
Polyhalite 0.00 -13.74 -13.74 K2MgCa2(SO4)4:2H2O
|
||||
Portlandite -9.75 -14.94 -5.19 Ca(OH)2
|
||||
Schoenite -1.70 -6.03 -4.33 K2Mg(SO4)2:6H2O
|
||||
Sylvite -0.86 0.04 0.90 KCl
|
||||
@ -3656,6 +3656,6 @@ Reading input data for simulation 2.
|
||||
------------------------------------
|
||||
|
||||
------------------------------
|
||||
End of Run after 0.79 Seconds.
|
||||
End of Run after 0.52 Seconds.
|
||||
------------------------------
|
||||
|
||||
|
||||
2
ex18.out
2
ex18.out
@ -555,6 +555,6 @@ Reading input data for simulation 2.
|
||||
------------------------------------
|
||||
|
||||
------------------------------
|
||||
End of Run after 0.09 Seconds.
|
||||
End of Run after 0.08 Seconds.
|
||||
------------------------------
|
||||
|
||||
|
||||
@ -23,6 +23,6 @@ Reading input data for simulation 1.
|
||||
PRINT
|
||||
reset false
|
||||
------------------------------
|
||||
End of Run after 0.11 Seconds.
|
||||
End of Run after 0.12 Seconds.
|
||||
------------------------------
|
||||
|
||||
|
||||
102
ex2.sel
102
ex2.sel
@ -1,53 +1,53 @@
|
||||
sim state soln dist_x time step pH pe temp si_anhydrite si_gypsum
|
||||
1 i_soln 1 -99 -99 -99 7 4 25.000 -999.9990 -999.9990
|
||||
1 react 1 -99 0 1 7.06615 10.7441 25.000 -0.3030 0.0000
|
||||
1 react 1 -99 0 2 7.05248 10.6752 26.000 -0.2923 0.0000
|
||||
1 react 1 -99 0 3 7.03891 10.6069 27.000 -0.2815 0.0000
|
||||
1 react 1 -99 0 4 7.02545 10.5398 28.000 -0.2709 0.0000
|
||||
1 react 1 -99 0 5 7.0121 10.4711 29.000 -0.2602 0.0000
|
||||
1 react 1 -99 0 6 6.99887 10.4041 30.000 -0.2496 0.0000
|
||||
1 react 1 -99 0 7 6.98575 10.3374 31.000 -0.2391 0.0000
|
||||
1 react 1 -99 0 8 6.97276 10.2719 32.000 -0.2286 0.0000
|
||||
1 react 1 -99 0 9 6.95989 10.2054 33.000 -0.2181 0.0000
|
||||
1 react 1 -99 0 10 6.94715 10.1396 34.000 -0.2076 0.0000
|
||||
1 react 1 -99 0 11 6.93455 -2.77702 35.000 -0.1972 0.0000
|
||||
1 react 1 -99 0 12 6.92207 10.0099 36.000 -0.1868 0.0000
|
||||
1 react 1 -99 0 13 6.90973 9.97673 37.000 -0.1765 0.0000
|
||||
1 react 1 -99 0 14 6.89753 9.88084 38.000 -0.1662 0.0000
|
||||
1 react 1 -99 0 15 6.88547 9.81793 39.000 -0.1559 0.0000
|
||||
1 react 1 -99 0 16 6.87354 9.75364 40.000 -0.1457 0.0000
|
||||
1 react 1 -99 0 17 6.86176 9.69111 41.000 -0.1355 0.0000
|
||||
1 react 1 -99 0 18 6.85012 9.62835 42.000 -0.1254 0.0000
|
||||
1 react 1 -99 0 19 6.83862 9.56563 43.000 -0.1152 0.0000
|
||||
1 react 1 -99 0 20 6.82726 9.50396 44.000 -0.1052 0.0000
|
||||
1 react 1 -99 0 21 6.81604 9.44197 45.000 -0.0951 0.0000
|
||||
1 react 1 -99 0 22 6.80497 9.38022 46.000 -0.0851 0.0000
|
||||
1 react 1 -99 0 23 6.79404 9.31794 47.000 -0.0751 0.0000
|
||||
1 react 1 -99 0 24 6.78325 9.25824 48.000 -0.0651 0.0000
|
||||
1 react 1 -99 0 25 6.77261 9.22712 49.000 -0.0552 0.0000
|
||||
1 react 1 -99 0 26 6.76211 9.13637 50.000 -0.0453 0.0000
|
||||
1 react 1 -99 0 27 6.75175 9.0763 51.000 -0.0355 0.0000
|
||||
1 react 1 -99 0 28 6.74153 9.01662 52.000 -0.0257 0.0000
|
||||
1 react 1 -99 0 29 6.73146 8.95898 53.000 -0.0159 0.0000
|
||||
1 react 1 -99 0 30 6.72153 -1.62137 54.000 -0.0061 0.0000
|
||||
1 react 1 -99 0 31 6.71125 8.79 55.000 0.0000 -0.0036
|
||||
1 react 1 -99 0 32 6.70039 8.79401 56.000 0.0000 -0.0133
|
||||
1 react 1 -99 0 33 6.68965 8.71903 57.000 0.0000 -0.0229
|
||||
1 react 1 -99 0 34 6.67903 8.66218 58.000 0.0000 -0.0325
|
||||
1 react 1 -99 0 35 6.66853 8.60569 59.000 0.0000 -0.0421
|
||||
1 react 1 -99 0 36 6.65815 8.54994 60.000 0.0000 -0.0517
|
||||
1 react 1 -99 0 37 6.64789 8.49384 61.000 0.0000 -0.0612
|
||||
1 react 1 -99 0 38 6.63774 8.43798 62.000 0.0000 -0.0707
|
||||
1 react 1 -99 0 39 6.62771 8.38274 63.000 0.0000 -0.0802
|
||||
1 react 1 -99 0 40 6.6178 8.32726 64.000 0.0000 -0.0896
|
||||
1 react 1 -99 0 41 6.608 8.273 65.000 0.0000 -0.0990
|
||||
1 react 1 -99 0 42 6.59833 8.21862 66.000 0.0000 -0.1084
|
||||
1 react 1 -99 0 43 6.58876 8.16388 67.000 0.0000 -0.1177
|
||||
1 react 1 -99 0 44 6.57931 8.1099 68.000 0.0000 -0.1270
|
||||
1 react 1 -99 0 45 6.56998 8.05662 69.000 0.0000 -0.1363
|
||||
1 react 1 -99 0 46 6.56075 8.00288 70.000 0.0000 -0.1456
|
||||
1 react 1 -99 0 47 6.55165 7.9484 71.000 0.0000 -0.1548
|
||||
1 react 1 -99 0 48 6.54265 7.89532 72.000 0.0000 -0.1640
|
||||
1 react 1 -99 0 49 6.53376 7.8425 73.000 0.0000 -0.1732
|
||||
1 react 1 -99 0 50 6.52499 7.82051 74.000 0.0000 -0.1823
|
||||
1 react 1 -99 0 51 6.51633 7.76344 75.000 0.0000 -0.1914
|
||||
1 react 1 -99 0 1 7.06615 10.7444 25.000 -0.3030 0.0000
|
||||
1 react 1 -99 0 2 7.05248 10.6761 26.000 -0.2923 0.0000
|
||||
1 react 1 -99 0 3 7.03891 10.6076 27.000 -0.2815 0.0000
|
||||
1 react 1 -99 0 4 7.02545 10.5387 28.000 -0.2709 0.0000
|
||||
1 react 1 -99 0 5 7.0121 10.4716 29.000 -0.2602 0.0000
|
||||
1 react 1 -99 0 6 6.99887 10.4047 30.000 -0.2496 0.0000
|
||||
1 react 1 -99 0 7 6.98575 10.3381 31.000 -0.2391 0.0000
|
||||
1 react 1 -99 0 8 6.97276 10.2717 32.000 -0.2286 0.0000
|
||||
1 react 1 -99 0 9 6.95989 10.2051 33.000 -0.2181 0.0000
|
||||
1 react 1 -99 0 10 6.94715 10.1401 34.000 -0.2076 0.0000
|
||||
1 react 1 -99 0 11 6.93455 10.0748 35.000 -0.1972 0.0000
|
||||
1 react 1 -99 0 12 6.92207 10.0102 36.000 -0.1868 0.0000
|
||||
1 react 1 -99 0 13 6.90973 9.94519 37.000 -0.1765 0.0000
|
||||
1 react 1 -99 0 14 6.89753 9.88058 38.000 -0.1662 0.0000
|
||||
1 react 1 -99 0 15 6.88547 9.85009 39.000 -0.1559 0.0000
|
||||
1 react 1 -99 0 16 6.87354 9.76116 40.000 -0.1457 0.0000
|
||||
1 react 1 -99 0 17 6.86176 9.6906 41.000 -0.1355 0.0000
|
||||
1 react 1 -99 0 18 6.85012 9.62813 42.000 -0.1254 0.0000
|
||||
1 react 1 -99 0 19 6.83862 9.56556 43.000 -0.1152 0.0000
|
||||
1 react 1 -99 0 20 6.82726 9.50342 44.000 -0.1052 0.0000
|
||||
1 react 1 -99 0 21 6.81604 9.44248 45.000 -0.0951 0.0000
|
||||
1 react 1 -99 0 22 6.80497 9.38018 46.000 -0.0851 0.0000
|
||||
1 react 1 -99 0 23 6.79404 9.34925 47.000 -0.0751 0.0000
|
||||
1 react 1 -99 0 24 6.78325 9.25886 48.000 -0.0651 0.0000
|
||||
1 react 1 -99 0 25 6.77261 9.19866 49.000 -0.0552 0.0000
|
||||
1 react 1 -99 0 26 6.76211 9.13797 50.000 -0.0453 0.0000
|
||||
1 react 1 -99 0 27 6.75175 -1.64618 51.000 -0.0355 0.0000
|
||||
1 react 1 -99 0 28 6.74153 9.01794 52.000 -0.0257 0.0000
|
||||
1 react 1 -99 0 29 6.73146 -1.62949 53.000 -0.0159 0.0000
|
||||
1 react 1 -99 0 30 6.72153 -1.62139 54.000 -0.0061 0.0000
|
||||
1 react 1 -99 0 31 6.71125 8.83233 55.000 0.0000 -0.0036
|
||||
1 react 1 -99 0 32 6.70039 8.77494 56.000 0.0000 -0.0133
|
||||
1 react 1 -99 0 33 6.68965 8.71809 57.000 0.0000 -0.0229
|
||||
1 react 1 -99 0 34 6.67903 8.66158 58.000 0.0000 -0.0325
|
||||
1 react 1 -99 0 35 6.66853 8.60453 59.000 0.0000 -0.0421
|
||||
1 react 1 -99 0 36 6.65815 8.57975 60.000 0.0000 -0.0517
|
||||
1 react 1 -99 0 37 6.64789 8.49237 61.000 0.0000 -0.0612
|
||||
1 react 1 -99 0 38 6.63774 8.43709 62.000 0.0000 -0.0707
|
||||
1 react 1 -99 0 39 6.62771 8.383 63.000 0.0000 -0.0802
|
||||
1 react 1 -99 0 40 6.6178 8.32843 64.000 0.0000 -0.0896
|
||||
1 react 1 -99 0 41 6.608 8.27305 65.000 0.0000 -0.0990
|
||||
1 react 1 -99 0 42 6.59833 8.21852 66.000 0.0000 -0.1084
|
||||
1 react 1 -99 0 43 6.58876 8.16445 67.000 0.0000 -0.1177
|
||||
1 react 1 -99 0 44 6.57931 8.10999 68.000 0.0000 -0.1270
|
||||
1 react 1 -99 0 45 6.56998 8.05632 69.000 0.0000 -0.1363
|
||||
1 react 1 -99 0 46 6.56075 8.00286 70.000 0.0000 -0.1456
|
||||
1 react 1 -99 0 47 6.55165 7.94969 71.000 0.0000 -0.1548
|
||||
1 react 1 -99 0 48 6.54265 7.89537 72.000 0.0000 -0.1640
|
||||
1 react 1 -99 0 49 6.53376 7.84243 73.000 0.0000 -0.1732
|
||||
1 react 1 -99 0 50 6.52499 7.79045 74.000 0.0000 -0.1823
|
||||
1 react 1 -99 0 51 6.51633 7.73771 75.000 0.0000 -0.1914
|
||||
|
||||
76
ex20a.out
76
ex20a.out
@ -215,8 +215,8 @@ Calcite 2.54e-07
|
||||
|
||||
Isotope Ratio Ratio Input Units
|
||||
|
||||
R(D) 1.55760e-04 -1.2212e-11 permil
|
||||
R(18O) 2.00520e-03 -3.9447e-07 permil
|
||||
R(D) 1.55760e-04 0 permil
|
||||
R(18O) 2.00520e-03 -3.9446e-07 permil
|
||||
R(13C) 1.11802e-02 -0.00026756 permil
|
||||
R(D) H2O(l) 1.55760e-04 1.138e-05 permil
|
||||
R(18O) H2O(l) 2.00520e-03 -3.9132e-05 permil
|
||||
@ -224,7 +224,7 @@ Calcite 2.54e-07
|
||||
R(18O) OH- 1.93086e-03 -37.072 permil
|
||||
R(D) H3O+ 1.62250e-04 41.665 permil
|
||||
R(18O) H3O+ 2.05157e-03 23.123 permil
|
||||
R(D) H2(aq) 1.55760e-04 1.138e-05 permil
|
||||
R(D) H2(aq) 1.55760e-04 1.1381e-05 permil
|
||||
R(13C) CO2(aq) 1.10852e-02 -8.4965 permil
|
||||
R(18O) CO2(aq) 2.08959e-03 42.084 permil
|
||||
R(D) HCO3- 1.55760e-04 1.1383e-05 permil
|
||||
@ -247,15 +247,15 @@ Alpha D OH-/H2O(l) 0.23812 -1435 -1435
|
||||
Alpha 18O OH-/H2O(l) 0.96293 -37.777 -37.777
|
||||
Alpha D H3O+/H2O(l) 1.0417 40.82 40.82
|
||||
Alpha 18O H3O+/H2O(l) 1.0231 22.86 22.86
|
||||
Alpha D H2(aq)/H2O(l) 1 4.4409e-13 0
|
||||
Alpha D H2(aq)/H2O(l) 1 5.107e-12 0
|
||||
Alpha 18O CO2(aq)/H2O(l) 1.0421 41.223 41.223
|
||||
Alpha D HCO3-/H2O(l) 1 2.2544e-09 0
|
||||
Alpha 18O HCO3-/H2O(l) 1 -1.9984e-12 0
|
||||
Alpha D HCO3-/H2O(l) 1 2.2542e-09 0
|
||||
Alpha 18O HCO3-/H2O(l) 1 -2.1094e-12 0
|
||||
Alpha 13C HCO3-/CO2(aq) 1.0087 8.6622 8.6622
|
||||
Alpha 18O CO3-2/H2O(l) 1 -1.557e-09 0
|
||||
Alpha 18O CO3-2/H2O(l) 1 -1.5682e-09 0
|
||||
Alpha 13C CO3-2/CO2(aq) 1.0073 7.2261 7.2261
|
||||
Alpha D CH4(aq)/H2O(l) 1 -3.7522e-09 0
|
||||
Alpha 13C CH4(aq)/CO2(aq) 1 0 0
|
||||
Alpha D CH4(aq)/H2O(l) 1 -3.7478e-09 0
|
||||
Alpha 13C CH4(aq)/CO2(aq) 1 -4.2188e-12 0
|
||||
Alpha 18O Calcite/H2O(l) 1.0288 28.383 28.383
|
||||
Alpha 13C Calcite/CO2(aq) 1.0107 10.641 10.641
|
||||
|
||||
@ -273,7 +273,7 @@ Alpha 13C Calcite/CO2(aq) 1.0107 10.641 10.641
|
||||
----------------------------Description of solution----------------------------
|
||||
|
||||
pH = 8.199 Charge balance
|
||||
pe = -2.403 Adjusted to redox equilibrium
|
||||
pe = -2.402 Adjusted to redox equilibrium
|
||||
Activity of water = 0.998
|
||||
Ionic strength = 2.301e-03
|
||||
Mass of water (kg) = 9.968e-01
|
||||
@ -294,9 +294,9 @@ Alpha 13C Calcite/CO2(aq) 1.0107 10.641 10.641
|
||||
OH- 1.661e-06 1.575e-06 -5.780 -5.803 -0.023 (0)
|
||||
H3O+ 6.648e-09 6.328e-09 -8.177 -8.199 -0.021 (0)
|
||||
H2O 5.556e+01 9.977e-01 1.745 -0.001 0.000 18.07
|
||||
C(-4) 2.824e-27
|
||||
CH4 2.823e-27 2.824e-27 -26.549 -26.549 0.000 (0)
|
||||
CH3D 1.759e-30 1.760e-30 -29.755 -29.755 0.000 (0)
|
||||
C(-4) 2.782e-27
|
||||
CH4 2.780e-27 2.781e-27 -26.556 -26.556 0.000 (0)
|
||||
CH3D 1.732e-30 1.733e-30 -29.761 -29.761 0.000 (0)
|
||||
C(4) 1.984e-03
|
||||
HCO3- 1.916e-03 1.817e-03 -2.718 -2.741 -0.023 (0)
|
||||
CO2 2.597e-05 2.598e-05 -4.586 -4.585 0.000 (0)
|
||||
@ -334,17 +334,17 @@ Ca 3.098e-04
|
||||
CaHC[18O]O2+ 1.186e-08 1.126e-08 -7.926 -7.948 -0.023 (0)
|
||||
CaDCO3+ 9.216e-10 8.750e-10 -9.035 -9.058 -0.023 (0)
|
||||
Ca[13C]O2[18O] 3.672e-10 3.674e-10 -9.435 -9.435 0.000 (0)
|
||||
D(0) 5.680e-19
|
||||
HD 5.679e-19 5.682e-19 -18.246 -18.246 0.000 (0)
|
||||
D2 4.423e-23 4.425e-23 -22.354 -22.354 0.000 (0)
|
||||
D(0) 5.658e-19
|
||||
HD 5.657e-19 5.660e-19 -18.247 -18.247 0.000 (0)
|
||||
D2 4.406e-23 4.408e-23 -22.356 -22.356 0.000 (0)
|
||||
D(1) 1.734e-02
|
||||
HDO 1.731e-02 3.108e-04 -1.762 -3.507 -1.746 (0)
|
||||
HD[18O] 3.470e-05 6.233e-07 -4.460 -6.205 -1.746 (0)
|
||||
D2O 1.348e-06 2.421e-08 -5.870 -7.616 -1.746 (0)
|
||||
DCO3- 2.985e-07 2.831e-07 -6.525 -6.548 -0.023 (0)
|
||||
H(0) 3.647e-15
|
||||
H2 1.823e-15 1.824e-15 -14.739 -14.739 0.000 (0)
|
||||
HD 5.679e-19 5.682e-19 -18.246 -18.246 0.000 (0)
|
||||
H(0) 3.633e-15
|
||||
H2 1.816e-15 1.817e-15 -14.741 -14.741 0.000 (0)
|
||||
HD 5.657e-19 5.660e-19 -18.247 -18.247 0.000 (0)
|
||||
Na 1.385e-03
|
||||
Na+ 1.383e-03 1.312e-03 -2.859 -2.882 -0.023 (0)
|
||||
NaHCO3 1.340e-06 1.341e-06 -5.873 -5.873 0.000 (0)
|
||||
@ -356,11 +356,11 @@ Na 1.385e-03
|
||||
NaHC[18O]O2 2.687e-09 2.689e-09 -8.571 -8.570 0.000 (0)
|
||||
NaCO2[18O]- 2.083e-09 1.976e-09 -8.681 -8.704 -0.023 (0)
|
||||
O(0) 0.000e+00
|
||||
O2 0.000e+00 0.000e+00 -62.904 -62.904 0.000 (0)
|
||||
O[18O] 0.000e+00 0.000e+00 -65.301 -65.301 0.000 (0)
|
||||
[13C](-4) 3.131e-29
|
||||
[13C]H4 3.129e-29 3.131e-29 -28.505 -28.504 0.000 (0)
|
||||
[13C]H3D 1.949e-32 1.950e-32 -31.710 -31.710 0.000 (0)
|
||||
O2 0.000e+00 0.000e+00 -62.901 -62.901 0.000 (0)
|
||||
O[18O] 0.000e+00 0.000e+00 -65.298 -65.297 0.000 (0)
|
||||
[13C](-4) 3.084e-29
|
||||
[13C]H4 3.082e-29 3.083e-29 -28.511 -28.511 0.000 (0)
|
||||
[13C]H3D 1.920e-32 1.921e-32 -31.717 -31.716 0.000 (0)
|
||||
[13C](4) 2.218e-05
|
||||
H[13C]O3- 2.143e-05 2.032e-05 -4.669 -4.692 -0.023 (0)
|
||||
[13C]O2 2.878e-07 2.880e-07 -6.541 -6.541 0.000 (0)
|
||||
@ -393,19 +393,19 @@ O(0) 0.000e+00
|
||||
HCO[18O]O- 3.842e-06 3.644e-06 -5.415 -5.438 -0.023 (0)
|
||||
HC[18O]O2- 3.842e-06 3.644e-06 -5.415 -5.438 -0.023 (0)
|
||||
[18O](0) 0.000e+00
|
||||
O[18O] 0.000e+00 0.000e+00 -65.301 -65.301 0.000 (0)
|
||||
[18O]2 0.000e+00 0.000e+00 -68.300 -68.300 0.000 (0)
|
||||
O[18O] 0.000e+00 0.000e+00 -65.298 -65.297 0.000 (0)
|
||||
[18O]2 0.000e+00 0.000e+00 -68.297 -68.296 0.000 (0)
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
|
||||
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) -40.87 -43.73 -2.86 [13C]D4
|
||||
[13C]H2D2(g) -32.48 -36.12 -3.64 [13C]H2D2
|
||||
[13C]H3D(g) -28.85 -32.31 -3.46 [13C]H3D
|
||||
[13C]H4(g) -25.64 -28.50 -2.86 [13C]H4
|
||||
[13C]HD3(g) -36.46 -39.93 -3.46 [13C]HD3
|
||||
[13C]D4(g) -40.88 -43.74 -2.86 [13C]D4
|
||||
[13C]H2D2(g) -32.49 -36.13 -3.64 [13C]H2D2
|
||||
[13C]H3D(g) -28.86 -32.32 -3.46 [13C]H3D
|
||||
[13C]H4(g) -25.65 -28.51 -2.86 [13C]H4
|
||||
[13C]HD3(g) -36.47 -39.93 -3.46 [13C]HD3
|
||||
[13C]O2(g) -5.07 -6.54 -1.47 [13C]O2
|
||||
[13C]O[18O](g) -7.45 -9.24 -1.79 [13C]O[18O]
|
||||
[18O]2(g) -66.01 -68.30 -2.29 [18O]2
|
||||
@ -418,14 +418,14 @@ O(0) 0.000e+00
|
||||
CaCO2[18O](s) -2.22 5.50 7.71 CaCO2[18O]
|
||||
CaCO[18O]2(s) -4.90 2.80 7.70 CaCO[18O]2
|
||||
Calcite -0.01 -8.49 -8.48 CaCO3
|
||||
CD4(g) -38.92 -41.78 -2.86 CD4
|
||||
CH2D2(g) -30.53 -34.16 -3.64 CH2D2
|
||||
CH3D(g) -26.89 -30.36 -3.46 CH3D
|
||||
CH4(g) -23.69 -26.55 -2.86 CH4
|
||||
CHD3(g) -34.51 -37.97 -3.46 CHD3
|
||||
CD4(g) -38.93 -41.79 -2.86 CD4
|
||||
CH2D2(g) -30.53 -34.17 -3.64 CH2D2
|
||||
CH3D(g) -26.90 -30.36 -3.46 CH3D
|
||||
CH4(g) -23.70 -26.56 -2.86 CH4
|
||||
CHD3(g) -34.52 -37.98 -3.46 CHD3
|
||||
CO2(g) -3.12 -4.59 -1.47 CO2
|
||||
CO[18O](g) -5.50 -7.28 -1.79 CO[18O]
|
||||
D2(g) -19.20 -22.35 -3.15 D2
|
||||
D2(g) -19.21 -22.36 -3.15 D2
|
||||
D2[18O](g) -11.89 -10.31 1.58 D2[18O]
|
||||
D2O(g) -9.19 -7.62 1.58 D2O
|
||||
H2(g) -11.59 -14.74 -3.15 H2
|
||||
@ -447,6 +447,6 @@ Reading input data for simulation 4.
|
||||
------------------------------------
|
||||
|
||||
------------------------------
|
||||
End of Run after 0.24 Seconds.
|
||||
End of Run after 0.15 Seconds.
|
||||
------------------------------
|
||||
|
||||
|
||||
18
ex21.out
18
ex21.out
@ -916,18 +916,6 @@ WARNING: No dispersivities were read; disp = 0 assumed.
|
||||
60 put(a, 2)
|
||||
70 plot_xy days, equi("A_Hto"), y_axis = 2, color = Red, symbol = None
|
||||
END
|
||||
WARNING: Maximum iterations exceeded, 100
|
||||
|
||||
WARNING: Numerical method failed with this set of convergence parameters.
|
||||
|
||||
WARNING: Trying smaller step size, pe step size 10, 5 ...
|
||||
|
||||
WARNING: Maximum iterations exceeded, 200
|
||||
|
||||
WARNING: Numerical method failed with this set of convergence parameters.
|
||||
|
||||
WARNING: Trying reduced tolerance 1e-16 ...
|
||||
|
||||
TRANSPORT
|
||||
shifts 0
|
||||
punch_frequency 2
|
||||
@ -968,7 +956,7 @@ WARNING: Trying reduced tolerance 1e-16 ...
|
||||
400 put(xval, 14)
|
||||
END
|
||||
END
|
||||
------------------------------
|
||||
End of Run after 20.6 Seconds.
|
||||
------------------------------
|
||||
-------------------------------
|
||||
End of Run after 23.44 Seconds.
|
||||
-------------------------------
|
||||
|
||||
|
||||
2
ex2b.out
2
ex2b.out
@ -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.
|
||||
------------------------------
|
||||
|
||||
|
||||
94
ex3.out
94
ex3.out
@ -139,8 +139,8 @@ Calcite 0.00 -8.48 -8.48 1.000e+01 9.998e+00 -1.657e-03
|
||||
OH- 2.137e-07 1.981e-07 -6.670 -6.703 -0.033 -4.07
|
||||
H+ 5.467e-08 5.109e-08 -7.262 -7.292 -0.029 0.00
|
||||
H2O 5.551e+01 9.999e-01 1.744 -0.000 0.000 18.07
|
||||
C(-4) 1.422e-25
|
||||
CH4 1.422e-25 1.423e-25 -24.847 -24.847 0.000 32.22
|
||||
C(-4) 1.423e-25
|
||||
CH4 1.423e-25 1.425e-25 -24.847 -24.846 0.000 32.22
|
||||
C(4) 3.650e-03
|
||||
HCO3- 3.245e-03 3.017e-03 -2.489 -2.520 -0.032 24.64
|
||||
CO2 3.462e-04 3.466e-04 -3.461 -3.460 0.000 30.26
|
||||
@ -152,7 +152,7 @@ Ca 1.657e-03
|
||||
CaHCO3+ 4.947e-05 4.604e-05 -4.306 -4.337 -0.031 9.70
|
||||
CaCO3 5.559e-06 5.565e-06 -5.255 -5.255 0.000 -14.60
|
||||
CaOH+ 4.187e-09 3.885e-09 -8.378 -8.411 -0.032 (0)
|
||||
H(0) 5.085e-15
|
||||
H(0) 5.087e-15
|
||||
H2 2.543e-15 2.546e-15 -14.595 -14.594 0.000 28.61
|
||||
O(0) 0.000e+00
|
||||
O2 0.000e+00 0.000e+00 -63.192 -63.192 0.000 30.40
|
||||
@ -370,7 +370,7 @@ Mixture 1.
|
||||
----------------------------Description of solution----------------------------
|
||||
|
||||
pH = 7.263 Charge balance
|
||||
pe = 10.529 Adjusted to redox equilibrium
|
||||
pe = -1.689 Adjusted to redox equilibrium
|
||||
Specific Conductance (uS/cm, 25 oC) = 18711
|
||||
Density (g/cm3) = 1.00526
|
||||
Volume (L) = 1.00651
|
||||
@ -394,8 +394,8 @@ Mixture 1.
|
||||
OH- 2.622e-07 1.845e-07 -6.581 -6.734 -0.153 -3.48
|
||||
H+ 6.852e-08 5.454e-08 -7.164 -7.263 -0.099 0.00
|
||||
H2O 5.551e+01 9.941e-01 1.744 -0.003 0.000 18.07
|
||||
C(-4) 0.000e+00
|
||||
CH4 0.000e+00 0.000e+00 -121.623 -121.602 0.021 32.22
|
||||
C(-4) 1.307e-24
|
||||
CH4 1.307e-24 1.372e-24 -23.884 -23.863 0.021 32.22
|
||||
C(4) 3.232e-03
|
||||
HCO3- 2.374e-03 1.765e-03 -2.625 -2.753 -0.129 25.77
|
||||
NaHCO3 4.539e-04 4.762e-04 -3.343 -3.322 0.021 19.41
|
||||
@ -415,8 +415,8 @@ Ca 4.358e-03
|
||||
CaHSO4+ 1.714e-10 1.276e-10 -9.766 -9.894 -0.128 (0)
|
||||
Cl 1.697e-01
|
||||
Cl- 1.697e-01 1.209e-01 -0.770 -0.918 -0.147 18.47
|
||||
H(0) 3.518e-39
|
||||
H2 1.759e-39 1.846e-39 -38.755 -38.734 0.021 28.61
|
||||
H(0) 9.576e-15
|
||||
H2 4.788e-15 5.023e-15 -14.320 -14.299 0.021 28.61
|
||||
K 3.173e-03
|
||||
K+ 3.140e-03 2.225e-03 -2.503 -2.653 -0.150 9.35
|
||||
KSO4- 3.330e-05 2.477e-05 -4.477 -4.606 -0.129 (0)
|
||||
@ -432,12 +432,12 @@ Na 1.456e-01
|
||||
NaHCO3 4.539e-04 4.762e-04 -3.343 -3.322 0.021 19.41
|
||||
NaCO3- 9.793e-07 7.282e-07 -6.009 -6.138 -0.129 0.26
|
||||
NaOH 1.889e-18 1.982e-18 -17.724 -17.703 0.021 (0)
|
||||
O(0) 2.306e-15
|
||||
O2 1.153e-15 1.210e-15 -14.938 -14.917 0.021 30.40
|
||||
S(-2) 0.000e+00
|
||||
HS- 0.000e+00 0.000e+00 -118.586 -118.739 -0.153 21.00
|
||||
H2S 0.000e+00 0.000e+00 -119.081 -119.060 0.021 37.16
|
||||
S-2 0.000e+00 0.000e+00 -123.861 -124.393 -0.532 (0)
|
||||
O(0) 0.000e+00
|
||||
O2 0.000e+00 0.000e+00 -63.808 -63.787 0.021 30.40
|
||||
S(-2) 1.879e-21
|
||||
HS- 1.424e-21 1.002e-21 -20.847 -20.999 -0.153 21.00
|
||||
H2S 4.553e-22 4.777e-22 -21.342 -21.321 0.021 37.16
|
||||
S-2 7.556e-27 2.218e-27 -26.122 -26.654 -0.532 (0)
|
||||
S(6) 8.777e-03
|
||||
SO4-2 5.501e-03 1.584e-03 -2.260 -2.800 -0.541 15.62
|
||||
MgSO4 1.757e-03 1.844e-03 -2.755 -2.734 0.021 5.84
|
||||
@ -458,22 +458,22 @@ Si 2.215e-05
|
||||
Anhydrite -1.42 -5.70 -4.28 CaSO4
|
||||
Aragonite -0.38 -8.72 -8.34 CaCO3
|
||||
Calcite -0.24 -8.72 -8.48 CaCO3
|
||||
CH4(g) -118.76 -121.60 -2.84 CH4
|
||||
CH4(g) -21.02 -23.86 -2.84 CH4
|
||||
Chalcedony -1.08 -4.63 -3.55 SiO2
|
||||
Chrysotile -4.81 27.39 32.20 Mg3Si2O5(OH)4
|
||||
CO2(g) -2.20 -3.66 -1.46 CO2
|
||||
Dolomite 0.25 -16.84 -17.09 CaMg(CO3)2
|
||||
Gypsum -1.12 -5.70 -4.58 CaSO4:2H2O
|
||||
H2(g) -35.63 -38.73 -3.10 H2
|
||||
H2(g) -11.20 -14.30 -3.10 H2
|
||||
H2O(g) -1.51 -0.00 1.50 H2O
|
||||
H2S(g) -118.01 -126.00 -7.99 H2S
|
||||
H2S(g) -20.27 -28.26 -7.99 H2S
|
||||
Halite -3.46 -1.89 1.57 NaCl
|
||||
O2(g) -12.03 -14.92 -2.89 O2
|
||||
O2(g) -60.89 -63.79 -2.89 O2
|
||||
Quartz -0.65 -4.63 -3.98 SiO2
|
||||
Sepiolite -5.22 10.54 15.76 Mg2Si3O7.5OH:3H2O
|
||||
Sepiolite(d) -8.12 10.54 18.66 Mg2Si3O7.5OH:3H2O
|
||||
SiO2(a) -1.92 -4.63 -2.71 SiO2
|
||||
Sulfur -88.36 -83.48 4.88 S
|
||||
Sulfur -15.05 -10.17 4.88 S
|
||||
Sylvite -4.47 -3.57 0.90 KCl
|
||||
Talc -3.26 18.14 21.40 Mg3Si4O10(OH)2
|
||||
|
||||
@ -531,7 +531,7 @@ Dolomite 0.00 -17.09 -17.09 1.000e+01 1.001e+01 7.853e-03
|
||||
----------------------------Description of solution----------------------------
|
||||
|
||||
pH = 7.083 Charge balance
|
||||
pe = 10.850 Adjusted to redox equilibrium
|
||||
pe = 10.853 Adjusted to redox equilibrium
|
||||
Specific Conductance (uS/cm, 25 oC) = 18770
|
||||
Density (g/cm3) = 1.00534
|
||||
Volume (L) = 1.00654
|
||||
@ -543,7 +543,7 @@ Dolomite 0.00 -17.09 -17.09 1.000e+01 1.001e+01 7.853e-03
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = 2.390e-04
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.06
|
||||
Iterations = 5
|
||||
Iterations = 14
|
||||
Total H = 1.110132e+02
|
||||
Total O = 5.554944e+01
|
||||
|
||||
@ -556,7 +556,7 @@ Dolomite 0.00 -17.09 -17.09 1.000e+01 1.001e+01 7.853e-03
|
||||
H+ 1.037e-07 8.253e-08 -6.984 -7.083 -0.099 0.00
|
||||
H2O 5.551e+01 9.941e-01 1.744 -0.003 0.000 18.07
|
||||
C(-4) 0.000e+00
|
||||
CH4 0.000e+00 0.000e+00 -122.604 -122.583 0.021 32.22
|
||||
CH4 0.000e+00 0.000e+00 -122.621 -122.600 0.021 32.22
|
||||
C(4) 3.139e-03
|
||||
HCO3- 2.235e-03 1.662e-03 -2.651 -2.779 -0.129 25.77
|
||||
NaHCO3 4.273e-04 4.483e-04 -3.369 -3.348 0.021 19.41
|
||||
@ -576,8 +576,8 @@ Ca 1.212e-02
|
||||
CaHSO4+ 7.393e-10 5.505e-10 -9.131 -9.259 -0.128 (0)
|
||||
Cl 1.697e-01
|
||||
Cl- 1.697e-01 1.209e-01 -0.770 -0.918 -0.147 18.47
|
||||
H(0) 1.831e-39
|
||||
H2 9.155e-40 9.606e-40 -39.038 -39.017 0.021 28.61
|
||||
H(0) 1.813e-39
|
||||
H2 9.063e-40 9.510e-40 -39.043 -39.022 0.021 28.61
|
||||
K 3.173e-03
|
||||
K+ 3.139e-03 2.224e-03 -2.503 -2.653 -0.150 9.35
|
||||
KSO4- 3.419e-05 2.542e-05 -4.466 -4.595 -0.129 (0)
|
||||
@ -593,12 +593,12 @@ Na 1.456e-01
|
||||
NaHCO3 4.273e-04 4.483e-04 -3.369 -3.348 0.021 19.41
|
||||
NaCO3- 6.093e-07 4.530e-07 -6.215 -6.344 -0.129 0.26
|
||||
NaOH 1.248e-18 1.309e-18 -17.904 -17.883 0.021 (0)
|
||||
O(0) 8.509e-15
|
||||
O2 4.254e-15 4.464e-15 -14.371 -14.350 0.021 30.40
|
||||
O(0) 8.682e-15
|
||||
O2 4.341e-15 4.555e-15 -14.362 -14.342 0.021 30.40
|
||||
S(-2) 0.000e+00
|
||||
HS- 0.000e+00 0.000e+00 -119.529 -119.682 -0.153 21.00
|
||||
H2S 0.000e+00 0.000e+00 -119.844 -119.823 0.021 37.16
|
||||
S-2 0.000e+00 0.000e+00 -124.983 -125.516 -0.533 (0)
|
||||
HS- 0.000e+00 0.000e+00 -119.546 -119.699 -0.153 21.00
|
||||
H2S 0.000e+00 0.000e+00 -119.862 -119.841 0.021 37.16
|
||||
S-2 0.000e+00 0.000e+00 -125.001 -125.534 -0.533 (0)
|
||||
S(6) 8.777e-03
|
||||
SO4-2 5.654e-03 1.627e-03 -2.248 -2.789 -0.541 15.62
|
||||
NaSO4- 1.178e-03 8.756e-04 -2.929 -3.058 -0.129 20.22
|
||||
@ -619,7 +619,7 @@ Si 2.215e-05
|
||||
Anhydrite -0.97 -5.24 -4.28 CaSO4
|
||||
Aragonite -0.14 -8.48 -8.34 CaCO3
|
||||
Calcite 0.00 -8.48 -8.48 CaCO3
|
||||
CH4(g) -119.74 -122.58 -2.84 CH4
|
||||
CH4(g) -119.76 -122.60 -2.84 CH4
|
||||
Chalcedony -1.08 -4.63 -3.55 SiO2
|
||||
Chrysotile -6.73 25.47 32.20 Mg3Si2O5(OH)4
|
||||
CO2(g) -2.05 -3.51 -1.46 CO2
|
||||
@ -627,14 +627,14 @@ Si 2.215e-05
|
||||
Gypsum -0.67 -5.25 -4.58 CaSO4:2H2O
|
||||
H2(g) -35.92 -39.02 -3.10 H2
|
||||
H2O(g) -1.51 -0.00 1.50 H2O
|
||||
H2S(g) -118.77 -126.76 -7.99 H2S
|
||||
H2S(g) -118.79 -126.78 -7.99 H2S
|
||||
Halite -3.46 -1.89 1.57 NaCl
|
||||
O2(g) -11.46 -14.35 -2.89 O2
|
||||
O2(g) -11.45 -14.34 -2.89 O2
|
||||
Quartz -0.65 -4.63 -3.98 SiO2
|
||||
Sepiolite -6.50 9.26 15.76 Mg2Si3O7.5OH:3H2O
|
||||
Sepiolite(d) -9.40 9.26 18.66 Mg2Si3O7.5OH:3H2O
|
||||
SiO2(a) -1.92 -4.63 -2.71 SiO2
|
||||
Sulfur -88.84 -83.96 4.88 S
|
||||
Sulfur -88.85 -83.97 4.88 S
|
||||
Sylvite -4.47 -3.57 0.90 KCl
|
||||
Talc -5.18 16.21 21.40 Mg3Si4O10(OH)2
|
||||
|
||||
@ -690,7 +690,7 @@ Calcite 0.00 -8.48 -8.48 1.000e+01 1.000e+01 -8.465e-05
|
||||
----------------------------Description of solution----------------------------
|
||||
|
||||
pH = 7.472 Charge balance
|
||||
pe = 10.462 Adjusted to redox equilibrium
|
||||
pe = 10.464 Adjusted to redox equilibrium
|
||||
Specific Conductance (uS/cm, 25 oC) = 18719
|
||||
Density (g/cm3) = 1.00526
|
||||
Volume (L) = 1.00652
|
||||
@ -702,7 +702,7 @@ Calcite 0.00 -8.48 -8.48 1.000e+01 1.000e+01 -8.465e-05
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = 2.390e-04
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.06
|
||||
Iterations = 5
|
||||
Iterations = 12
|
||||
Total H = 1.110132e+02
|
||||
Total O = 5.554997e+01
|
||||
|
||||
@ -715,7 +715,7 @@ Calcite 0.00 -8.48 -8.48 1.000e+01 1.000e+01 -8.465e-05
|
||||
H+ 4.237e-08 3.372e-08 -7.373 -7.472 -0.099 0.00
|
||||
H2O 5.551e+01 9.941e-01 1.744 -0.003 0.000 18.07
|
||||
C(-4) 0.000e+00
|
||||
CH4 0.000e+00 0.000e+00 -122.949 -122.928 0.021 32.22
|
||||
CH4 0.000e+00 0.000e+00 -122.967 -122.946 0.021 32.22
|
||||
C(4) 3.317e-03
|
||||
HCO3- 2.489e-03 1.851e-03 -2.604 -2.733 -0.129 25.77
|
||||
NaHCO3 4.758e-04 4.992e-04 -3.323 -3.302 0.021 19.41
|
||||
@ -735,8 +735,8 @@ Ca 4.443e-03
|
||||
CaHSO4+ 1.078e-10 8.030e-11 -9.967 -10.095 -0.128 (0)
|
||||
Cl 1.697e-01
|
||||
Cl- 1.697e-01 1.209e-01 -0.770 -0.918 -0.147 18.47
|
||||
H(0) 1.828e-39
|
||||
H2 9.140e-40 9.590e-40 -39.039 -39.018 0.021 28.61
|
||||
H(0) 1.809e-39
|
||||
H2 9.046e-40 9.491e-40 -39.044 -39.023 0.021 28.61
|
||||
K 3.173e-03
|
||||
K+ 3.140e-03 2.225e-03 -2.503 -2.653 -0.150 9.35
|
||||
KSO4- 3.328e-05 2.475e-05 -4.478 -4.607 -0.129 (0)
|
||||
@ -752,12 +752,12 @@ Na 1.456e-01
|
||||
NaHCO3 4.758e-04 4.992e-04 -3.323 -3.302 0.021 19.41
|
||||
NaCO3- 1.660e-06 1.235e-06 -5.780 -5.908 -0.129 0.26
|
||||
NaOH 3.054e-18 3.204e-18 -17.515 -17.494 0.021 (0)
|
||||
O(0) 8.539e-15
|
||||
O2 4.270e-15 4.480e-15 -14.370 -14.349 0.021 30.40
|
||||
O(0) 8.718e-15
|
||||
O2 4.359e-15 4.573e-15 -14.361 -14.340 0.021 30.40
|
||||
S(-2) 0.000e+00
|
||||
HS- 0.000e+00 0.000e+00 -119.932 -120.085 -0.153 21.00
|
||||
H2S 0.000e+00 0.000e+00 -120.636 -120.616 0.021 37.16
|
||||
S-2 0.000e+00 0.000e+00 -124.999 -125.531 -0.532 (0)
|
||||
HS- 0.000e+00 0.000e+00 -119.950 -120.103 -0.153 21.00
|
||||
H2S 0.000e+00 0.000e+00 -120.654 -120.634 0.021 37.16
|
||||
S-2 0.000e+00 0.000e+00 -125.017 -125.549 -0.532 (0)
|
||||
S(6) 8.777e-03
|
||||
SO4-2 5.498e-03 1.583e-03 -2.260 -2.801 -0.541 15.62
|
||||
MgSO4 1.755e-03 1.841e-03 -2.756 -2.735 0.021 5.84
|
||||
@ -778,7 +778,7 @@ Si 2.215e-05
|
||||
Anhydrite -1.41 -5.69 -4.28 CaSO4
|
||||
Aragonite -0.14 -8.48 -8.34 CaCO3
|
||||
Calcite 0.00 -8.48 -8.48 CaCO3
|
||||
CH4(g) -120.08 -122.93 -2.84 CH4
|
||||
CH4(g) -120.10 -122.95 -2.84 CH4
|
||||
Chalcedony -1.08 -4.63 -3.55 SiO2
|
||||
Chrysotile -3.56 28.64 32.20 Mg3Si2O5(OH)4
|
||||
CO2(g) -2.39 -3.85 -1.46 CO2
|
||||
@ -786,14 +786,14 @@ Si 2.215e-05
|
||||
Gypsum -1.12 -5.70 -4.58 CaSO4:2H2O
|
||||
H2(g) -35.92 -39.02 -3.10 H2
|
||||
H2O(g) -1.51 -0.00 1.50 H2O
|
||||
H2S(g) -119.56 -127.56 -7.99 H2S
|
||||
H2S(g) -119.58 -127.58 -7.99 H2S
|
||||
Halite -3.46 -1.89 1.57 NaCl
|
||||
O2(g) -11.46 -14.35 -2.89 O2
|
||||
O2(g) -11.45 -14.34 -2.89 O2
|
||||
Quartz -0.65 -4.63 -3.98 SiO2
|
||||
Sepiolite -4.39 11.37 15.76 Mg2Si3O7.5OH:3H2O
|
||||
Sepiolite(d) -7.29 11.37 18.66 Mg2Si3O7.5OH:3H2O
|
||||
SiO2(a) -1.92 -4.63 -2.71 SiO2
|
||||
Sulfur -89.63 -84.75 4.88 S
|
||||
Sulfur -89.64 -84.76 4.88 S
|
||||
Sylvite -4.47 -3.57 0.90 KCl
|
||||
Talc -2.02 19.38 21.40 Mg3Si4O10(OH)2
|
||||
|
||||
|
||||
6
ex4.out
6
ex4.out
@ -220,7 +220,7 @@ Reaction 1.
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = 2.581e-05
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 24.28
|
||||
Iterations = 30
|
||||
Iterations = 32
|
||||
Total H = 5.552525e+00
|
||||
Total O = 2.776344e+00
|
||||
|
||||
@ -377,7 +377,7 @@ Mixture 1.
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = 5.162e-04
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 24.28
|
||||
Iterations = 6
|
||||
Iterations = 0
|
||||
Total H = 1.110505e+02
|
||||
Total O = 5.552688e+01
|
||||
|
||||
@ -484,6 +484,6 @@ Reading input data for simulation 3.
|
||||
------------------------------------
|
||||
|
||||
------------------------------
|
||||
End of Run after 0.02 Seconds.
|
||||
End of Run after 0.01 Seconds.
|
||||
------------------------------
|
||||
|
||||
|
||||
32
ex5.out
32
ex5.out
@ -169,9 +169,9 @@ Pyrite 0.00 -18.48 -18.48 1.000e+01 1.000e+01 -3.134e-08
|
||||
Total alkalinity (eq/kg) = 9.928e-04
|
||||
Total CO2 (mol/kg) = 9.866e-04
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = -1.214e-09
|
||||
Electrical balance (eq) = -1.217e-09
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
|
||||
Iterations = 13
|
||||
Iterations = 14
|
||||
Total H = 1.110124e+02
|
||||
Total O = 5.550869e+01
|
||||
|
||||
@ -327,7 +327,7 @@ Pyrite -0.00 -18.48 -18.48 1.000e+01 1.000e+01 -2.667e-04
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = -1.217e-09
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
|
||||
Iterations = 26
|
||||
Iterations = 24
|
||||
Total H = 1.110122e+02
|
||||
Total O = 5.551020e+01
|
||||
|
||||
@ -475,7 +475,7 @@ CO2(g) -3.50 -4.96 -1.46 1.000e+01 1.000e+01 2.393e-03
|
||||
Calcite 0.00 -8.48 -8.48 1.000e+01 9.997e+00 -2.939e-03
|
||||
Goethite -0.00 -1.00 -1.00 1.000e+01 1.000e+01 1.333e-03
|
||||
Gypsum -1.05 -5.63 -4.58 0.000e+00 0 0.000e+00
|
||||
Pyrite 0.00 -18.48 -18.48 1.000e+01 9.999e+00 -1.333e-03
|
||||
Pyrite -0.00 -18.48 -18.48 1.000e+01 9.999e+00 -1.333e-03
|
||||
|
||||
-----------------------------Solution composition------------------------------
|
||||
|
||||
@ -501,9 +501,9 @@ Pyrite 0.00 -18.48 -18.48 1.000e+01 9.999e+00 -1.333e-03
|
||||
Total alkalinity (eq/kg) = 5.451e-04
|
||||
Total CO2 (mol/kg) = 5.462e-04
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = -1.217e-09
|
||||
Electrical balance (eq) = -1.157e-09
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
|
||||
Iterations = 26
|
||||
Iterations = 24
|
||||
Total H = 1.110111e+02
|
||||
Total O = 5.551758e+01
|
||||
|
||||
@ -615,7 +615,7 @@ S(6) 2.667e-03
|
||||
Mackinawite -4.60 -9.25 -4.65 FeS
|
||||
Melanterite -8.58 -10.79 -2.21 FeSO4:7H2O
|
||||
O2(g) -67.13 -70.02 -2.89 O2
|
||||
Pyrite 0.00 -18.48 -18.48 FeS2
|
||||
Pyrite -0.00 -18.48 -18.48 FeS2
|
||||
Siderite -2.75 -13.64 -10.89 FeCO3
|
||||
Sulfur -7.17 -2.29 4.88 S
|
||||
|
||||
@ -649,7 +649,7 @@ Phase SI log IAP log K(T, P) Initial Final Delta
|
||||
|
||||
CO2(g) -3.50 -4.96 -1.46 1.000e+01 1.001e+01 5.103e-03
|
||||
Calcite 0.00 -8.48 -8.48 1.000e+01 9.994e+00 -5.561e-03
|
||||
Goethite 0.00 -1.00 -1.00 1.000e+01 1.000e+01 2.667e-03
|
||||
Goethite -0.00 -1.00 -1.00 1.000e+01 1.000e+01 2.667e-03
|
||||
Gypsum -0.64 -5.22 -4.58 0.000e+00 0 0.000e+00
|
||||
Pyrite 0.00 -18.48 -18.48 1.000e+01 9.997e+00 -2.667e-03
|
||||
|
||||
@ -679,7 +679,7 @@ Pyrite 0.00 -18.48 -18.48 1.000e+01 9.997e+00 -2.667e-03
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = -1.217e-09
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
|
||||
Iterations = 26
|
||||
Iterations = 25
|
||||
Total H = 1.110098e+02
|
||||
Total O = 5.552736e+01
|
||||
|
||||
@ -781,7 +781,7 @@ S(6) 5.333e-03
|
||||
CO2(g) -3.50 -4.96 -1.46 CO2 Pressure 0.0 atm, phi 1.000.
|
||||
Fe(OH)3(a) -5.89 -1.00 4.89 Fe(OH)3
|
||||
FeS(ppt) -5.42 -9.33 -3.92 FeS
|
||||
Goethite 0.00 -1.00 -1.00 FeOOH
|
||||
Goethite -0.00 -1.00 -1.00 FeOOH
|
||||
Gypsum -0.64 -5.22 -4.58 CaSO4:2H2O
|
||||
H2(g) -8.19 -11.29 -3.10 H2
|
||||
H2O(g) -1.50 -0.00 1.50 H2O
|
||||
@ -825,7 +825,7 @@ Phase SI log IAP log K(T, P) Initial Final Delta
|
||||
|
||||
CO2(g) -3.50 -4.96 -1.46 1.000e+01 1.002e+01 1.582e-02
|
||||
Calcite 0.00 -8.48 -8.48 1.000e+01 9.984e+00 -1.618e-02
|
||||
Goethite 0.00 -1.00 -1.00 1.000e+01 1.001e+01 8.000e-03
|
||||
Goethite -0.00 -1.00 -1.00 1.000e+01 1.001e+01 8.000e-03
|
||||
Gypsum -0.01 -4.59 -4.58 0.000e+00 0 0.000e+00
|
||||
Pyrite 0.00 -18.48 -18.48 1.000e+01 9.992e+00 -8.000e-03
|
||||
|
||||
@ -853,9 +853,9 @@ Pyrite 0.00 -18.48 -18.48 1.000e+01 9.992e+00 -8.000e-03
|
||||
Total alkalinity (eq/kg) = 3.564e-04
|
||||
Total CO2 (mol/kg) = 3.596e-04
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = -1.217e-09
|
||||
Electrical balance (eq) = -1.211e-09
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
|
||||
Iterations = 28
|
||||
Iterations = 25
|
||||
Total H = 1.110044e+02
|
||||
Total O = 5.556711e+01
|
||||
|
||||
@ -957,7 +957,7 @@ S(6) 1.600e-02
|
||||
CO2(g) -3.50 -4.96 -1.46 CO2 Pressure 0.0 atm, phi 1.000.
|
||||
Fe(OH)3(a) -5.89 -1.00 4.89 Fe(OH)3
|
||||
FeS(ppt) -5.54 -9.46 -3.92 FeS
|
||||
Goethite 0.00 -1.00 -1.00 FeOOH
|
||||
Goethite -0.00 -1.00 -1.00 FeOOH
|
||||
Gypsum -0.01 -4.59 -4.58 CaSO4:2H2O
|
||||
H2(g) -8.35 -11.46 -3.10 H2
|
||||
H2O(g) -1.50 -0.00 1.50 H2O
|
||||
@ -1029,9 +1029,9 @@ Pyrite 0.00 -18.48 -18.48 1.000e+01 9.987e+00 -1.333e-02
|
||||
Total alkalinity (eq/kg) = 3.619e-04
|
||||
Total CO2 (mol/kg) = 3.650e-04
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = -1.217e-09
|
||||
Electrical balance (eq) = -1.161e-09
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
|
||||
Iterations = 29
|
||||
Iterations = 25
|
||||
Total H = 1.109609e+02
|
||||
Total O = 5.554981e+01
|
||||
|
||||
|
||||
316
ex6.out
316
ex6.out
@ -151,7 +151,7 @@ Using pure phase assemblage 1.
|
||||
Moles in assemblage
|
||||
Phase SI log IAP log K(T, P) Initial Final Delta
|
||||
|
||||
Gibbsite 0.00 8.05 8.05
|
||||
Gibbsite -0.00 8.05 8.05
|
||||
KAlSi3O8 is reactant 1.000e+01 1.000e+01 -2.658e-08
|
||||
K-feldspar -14.69 -13.82 0.88 0.000e+00 0 0.000e+00
|
||||
K-mica -10.69 2.28 12.97 0.000e+00 0 0.000e+00
|
||||
@ -179,9 +179,9 @@ Kaolinite -3.81 1.90 5.71 0.000e+00 0 0.000e+00
|
||||
Total carbon (mol/kg) = 0.000e+00
|
||||
Total CO2 (mol/kg) = 0.000e+00
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = -3.065e-17
|
||||
Electrical balance (eq) = -3.156e-17
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
|
||||
Iterations = 10
|
||||
Iterations = 9
|
||||
Total H = 1.110124e+02
|
||||
Total O = 5.550622e+01
|
||||
|
||||
@ -199,12 +199,12 @@ Al 2.658e-08
|
||||
Al(OH)2+ 8.645e-10 8.641e-10 -9.063 -9.063 -0.000 (0)
|
||||
AlOH+2 1.095e-11 1.093e-11 -10.961 -10.961 -0.001 -27.81
|
||||
Al+3 1.095e-13 1.091e-13 -12.960 -12.962 -0.002 -44.55
|
||||
H(0) 2.553e-38
|
||||
H2 1.276e-38 1.276e-38 -37.894 -37.894 0.000 28.61
|
||||
H(0) 2.557e-38
|
||||
H2 1.279e-38 1.279e-38 -37.893 -37.893 0.000 28.61
|
||||
K 2.658e-08
|
||||
K+ 2.658e-08 2.657e-08 -7.575 -7.576 -0.000 8.98
|
||||
O(0) 5.119e-17
|
||||
O2 2.559e-17 2.559e-17 -16.592 -16.592 0.000 30.40
|
||||
O(0) 5.099e-17
|
||||
O2 2.550e-17 2.550e-17 -16.594 -16.594 0.000 30.40
|
||||
Si 7.974e-08
|
||||
H4SiO4 7.962e-08 7.962e-08 -7.099 -7.099 0.000 52.08
|
||||
H3SiO4- 1.184e-10 1.184e-10 -9.926 -9.927 -0.000 27.94
|
||||
@ -216,7 +216,7 @@ Si 7.974e-08
|
||||
|
||||
Al(OH)3(a) -2.75 8.05 10.80 Al(OH)3
|
||||
Chalcedony -3.55 -7.10 -3.55 SiO2
|
||||
Gibbsite 0.00 8.05 8.05 Al(OH)3
|
||||
Gibbsite -0.00 8.05 8.05 Al(OH)3
|
||||
H2(g) -34.79 -37.89 -3.10 H2
|
||||
H2O(g) -1.50 -0.00 1.50 H2O
|
||||
K-feldspar -14.69 -13.82 0.88 KAlSi3O8
|
||||
@ -265,10 +265,10 @@ Using pure phase assemblage 1.
|
||||
Moles in assemblage
|
||||
Phase SI log IAP log K(T, P) Initial Final Delta
|
||||
|
||||
Gibbsite 0.00 8.05 8.05 0.000e+00 1.785e-06 1.785e-06
|
||||
Gibbsite -0.00 8.05 8.05 0.000e+00 1.785e-06 1.785e-06
|
||||
K-feldspar -5.86 -4.99 0.88 0.000e+00 0 0.000e+00
|
||||
K-mica -1.86 11.11 12.97 0.000e+00 0 0.000e+00
|
||||
Kaolinite 0.00 5.71 5.71
|
||||
Kaolinite -0.00 5.71 5.71
|
||||
KAlSi3O8 is reactant 1.000e+01 1.000e+01 -2.178e-06
|
||||
|
||||
-----------------------------Solution composition------------------------------
|
||||
@ -293,9 +293,9 @@ Kaolinite 0.00 5.71 5.71
|
||||
Total carbon (mol/kg) = 0.000e+00
|
||||
Total CO2 (mol/kg) = 0.000e+00
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = -3.043e-17
|
||||
Electrical balance (eq) = -3.403e-17
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
|
||||
Iterations = 14
|
||||
Iterations = 13
|
||||
Total H = 1.110124e+02
|
||||
Total O = 5.550623e+01
|
||||
|
||||
@ -330,12 +330,12 @@ Si 6.535e-06
|
||||
|
||||
Al(OH)3(a) -2.75 8.05 10.80 Al(OH)3
|
||||
Chalcedony -1.64 -5.20 -3.55 SiO2
|
||||
Gibbsite 0.00 8.05 8.05 Al(OH)3
|
||||
Gibbsite -0.00 8.05 8.05 Al(OH)3
|
||||
H2(g) -34.79 -37.89 -3.10 H2
|
||||
H2O(g) -1.50 -0.00 1.50 H2O
|
||||
K-feldspar -5.86 -4.99 0.88 KAlSi3O8
|
||||
K-mica -1.86 11.11 12.97 KAl3Si3O10(OH)2
|
||||
Kaolinite 0.00 5.71 5.71 Al2Si2O5(OH)4
|
||||
Kaolinite -0.00 5.71 5.71 Al2Si2O5(OH)4
|
||||
O2(g) -13.70 -16.59 -2.89 O2
|
||||
Quartz -1.21 -5.20 -3.98 SiO2
|
||||
SiO2(a) -2.48 -5.20 -2.71 SiO2
|
||||
@ -383,7 +383,7 @@ Gibbsite -0.73 7.32 8.05 0.000e+00 0 0.000e+00
|
||||
K-feldspar -2.54 -1.67 0.88 0.000e+00 0 0.000e+00
|
||||
K-mica 0.00 12.97 12.97
|
||||
KAlSi3O8 is reactant 1.000e+01 1.000e+01 -2.010e-05
|
||||
Kaolinite 0.00 5.71 5.71 0.000e+00 9.760e-06 9.760e-06
|
||||
Kaolinite -0.00 5.71 5.71 0.000e+00 9.760e-06 9.760e-06
|
||||
|
||||
-----------------------------Solution composition------------------------------
|
||||
|
||||
@ -407,9 +407,9 @@ Kaolinite 0.00 5.71 5.71 0.000e+00 9.760e-06 9.760e-06
|
||||
Total carbon (mol/kg) = 0.000e+00
|
||||
Total CO2 (mol/kg) = 0.000e+00
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = 1.179e-15
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
||||
Iterations = 13
|
||||
Electrical balance (eq) = -3.047e-17
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
|
||||
Iterations = 15
|
||||
Total H = 1.110124e+02
|
||||
Total O = 5.550629e+01
|
||||
|
||||
@ -432,7 +432,7 @@ H(0) 2.557e-38
|
||||
K 2.010e-05
|
||||
K+ 2.010e-05 2.000e-05 -4.697 -4.699 -0.002 8.98
|
||||
O(0) 5.099e-17
|
||||
O2 2.549e-17 2.549e-17 -16.594 -16.594 0.000 30.40
|
||||
O2 2.550e-17 2.550e-17 -16.594 -16.594 0.000 30.40
|
||||
Si 4.078e-05
|
||||
H4SiO4 3.428e-05 3.428e-05 -4.465 -4.465 0.000 52.08
|
||||
H3SiO4- 6.501e-06 6.468e-06 -5.187 -5.189 -0.002 27.95
|
||||
@ -449,7 +449,7 @@ Si 4.078e-05
|
||||
H2O(g) -1.50 -0.00 1.50 H2O
|
||||
K-feldspar -2.54 -1.67 0.88 KAlSi3O8
|
||||
K-mica 0.00 12.97 12.97 KAl3Si3O10(OH)2
|
||||
Kaolinite 0.00 5.71 5.71 Al2Si2O5(OH)4
|
||||
Kaolinite -0.00 5.71 5.71 Al2Si2O5(OH)4
|
||||
O2(g) -13.70 -16.59 -2.89 O2
|
||||
Quartz -0.48 -4.46 -3.98 SiO2
|
||||
SiO2(a) -1.75 -4.46 -2.71 SiO2
|
||||
@ -496,7 +496,7 @@ Phase SI log IAP log K(T, P) Initial Final Delta
|
||||
Gibbsite -2.00 6.05 8.05 0.000e+00 0 0.000e+00
|
||||
K-feldspar 0.00 0.88 0.88
|
||||
KAlSi3O8 is reactant 1.000e+01 1.000e+01 -1.909e-04
|
||||
K-mica -0.00 12.97 12.97 0.000e+00 6.362e-05 6.362e-05
|
||||
K-mica 0.00 12.97 12.97 0.000e+00 6.362e-05 6.362e-05
|
||||
Kaolinite -0.72 4.99 5.71 0.000e+00 0 0.000e+00
|
||||
|
||||
-----------------------------Solution composition------------------------------
|
||||
@ -510,7 +510,7 @@ Kaolinite -0.72 4.99 5.71 0.000e+00 0 0.000e+00
|
||||
----------------------------Description of solution----------------------------
|
||||
|
||||
pH = 9.388 Charge balance
|
||||
pe = 7.984 Adjusted to redox equilibrium
|
||||
pe = 7.983 Adjusted to redox equilibrium
|
||||
Specific Conductance (uS/cm, 25 oC) = 14
|
||||
Density (g/cm3) = 0.99707
|
||||
Volume (L) = 1.00298
|
||||
@ -521,9 +521,9 @@ Kaolinite -0.72 4.99 5.71 0.000e+00 0 0.000e+00
|
||||
Total carbon (mol/kg) = 0.000e+00
|
||||
Total CO2 (mol/kg) = 0.000e+00
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = -3.209e-15
|
||||
Electrical balance (eq) = -3.135e-17
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
|
||||
Iterations = 15
|
||||
Iterations = 17
|
||||
Total H = 1.110123e+02
|
||||
Total O = 5.550698e+01
|
||||
|
||||
@ -541,12 +541,12 @@ Al 5.973e-08
|
||||
Al(OH)2+ 3.600e-14 3.554e-14 -13.444 -13.449 -0.006 (0)
|
||||
AlOH+2 1.954e-18 1.855e-18 -17.709 -17.732 -0.023 -27.77
|
||||
Al+3 8.576e-23 7.641e-23 -22.067 -22.117 -0.050 -44.46
|
||||
H(0) 2.556e-38
|
||||
H2 1.278e-38 1.278e-38 -37.893 -37.893 0.000 28.61
|
||||
H(0) 2.558e-38
|
||||
H2 1.279e-38 1.279e-38 -37.893 -37.893 0.000 28.61
|
||||
K 1.273e-04
|
||||
K+ 1.273e-04 1.256e-04 -3.895 -3.901 -0.006 8.99
|
||||
O(0) 5.105e-17
|
||||
O2 2.552e-17 2.552e-17 -16.593 -16.593 0.000 30.40
|
||||
O(0) 5.095e-17
|
||||
O2 2.547e-17 2.548e-17 -16.594 -16.594 0.000 30.40
|
||||
Si 3.819e-04
|
||||
H4SiO4 2.797e-04 2.797e-04 -3.553 -3.553 0.000 52.08
|
||||
H3SiO4- 1.021e-04 1.008e-04 -3.991 -3.996 -0.006 27.95
|
||||
@ -562,7 +562,7 @@ Si 3.819e-04
|
||||
H2(g) -34.79 -37.89 -3.10 H2
|
||||
H2O(g) -1.50 -0.00 1.50 H2O
|
||||
K-feldspar 0.00 0.88 0.88 KAlSi3O8
|
||||
K-mica -0.00 12.97 12.97 KAl3Si3O10(OH)2
|
||||
K-mica 0.00 12.97 12.97 KAl3Si3O10(OH)2
|
||||
Kaolinite -0.72 4.99 5.71 Al2Si2O5(OH)4
|
||||
O2(g) -13.70 -16.59 -2.89 O2
|
||||
Quartz 0.43 -3.55 -3.98 SiO2
|
||||
@ -607,7 +607,7 @@ Phase SI log IAP log K(T, P) Initial Final Delta
|
||||
|
||||
Gibbsite 0.00 8.05 8.05
|
||||
KAlSi3O8 is reactant 1.000e+01 1.000e+01 -3.025e-06
|
||||
Kaolinite 0.00 5.71 5.71 1.000e+00 1.000e+00 1.240e-06
|
||||
Kaolinite -0.00 5.71 5.71 1.000e+00 1.000e+00 1.240e-06
|
||||
|
||||
-----------------------------Solution composition------------------------------
|
||||
|
||||
@ -631,9 +631,9 @@ Kaolinite 0.00 5.71 5.71 1.000e+00 1.000e+00 1.240e-06
|
||||
Total carbon (mol/kg) = 0.000e+00
|
||||
Total CO2 (mol/kg) = 0.000e+00
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = -4.602e-16
|
||||
Electrical balance (eq) = -2.999e-17
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
|
||||
Iterations = 12
|
||||
Iterations = 13
|
||||
Total H = 1.110124e+02
|
||||
Total O = 5.550623e+01
|
||||
|
||||
@ -673,7 +673,7 @@ Si 6.594e-06
|
||||
H2O(g) -1.50 -0.00 1.50 H2O
|
||||
K-feldspar -5.58 -4.71 0.88 KAlSi3O8
|
||||
K-mica -1.58 11.39 12.97 KAl3Si3O10(OH)2
|
||||
Kaolinite 0.00 5.71 5.71 Al2Si2O5(OH)4
|
||||
Kaolinite -0.00 5.71 5.71 Al2Si2O5(OH)4
|
||||
O2(g) -13.70 -16.59 -2.89 O2
|
||||
Quartz -1.21 -5.20 -3.98 SiO2
|
||||
SiO2(a) -2.48 -5.20 -2.71 SiO2
|
||||
@ -715,7 +715,7 @@ Using pure phase assemblage 1.
|
||||
Moles in assemblage
|
||||
Phase SI log IAP log K(T, P) Initial Final Delta
|
||||
|
||||
K-mica -0.00 12.97 12.97 1.000e+00 1.000e+00 1.083e-05
|
||||
K-mica 0.00 12.97 12.97 1.000e+00 1.000e+00 1.083e-05
|
||||
Kaolinite 0.00 5.71 5.71
|
||||
KAlSi3O8 is reactant 1.000e+01 1.000e+01 -3.281e-05
|
||||
|
||||
@ -741,9 +741,9 @@ Kaolinite 0.00 5.71 5.71
|
||||
Total carbon (mol/kg) = 0.000e+00
|
||||
Total CO2 (mol/kg) = 0.000e+00
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = -6.400e-14
|
||||
Electrical balance (eq) = -3.042e-17
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
|
||||
Iterations = 12
|
||||
Iterations = 13
|
||||
Total H = 1.110124e+02
|
||||
Total O = 5.550635e+01
|
||||
|
||||
@ -782,7 +782,7 @@ Si 6.595e-05
|
||||
H2(g) -11.67 -14.77 -3.10 H2
|
||||
H2O(g) -1.50 -0.00 1.50 H2O
|
||||
K-feldspar -2.11 -1.24 0.88 KAlSi3O8
|
||||
K-mica -0.00 12.97 12.97 KAl3Si3O10(OH)2
|
||||
K-mica 0.00 12.97 12.97 KAl3Si3O10(OH)2
|
||||
Kaolinite 0.00 5.71 5.71 Al2Si2O5(OH)4
|
||||
O2(g) -59.95 -62.84 -2.89 O2
|
||||
Quartz -0.27 -4.25 -3.98 SiO2
|
||||
@ -849,7 +849,7 @@ Reaction 1.
|
||||
Moles in assemblage
|
||||
Phase SI log IAP log K(T, P) Initial Final Delta
|
||||
|
||||
Gibbsite -0.00 8.05 8.05 0.000e+00 1.200e-08 1.200e-08
|
||||
Gibbsite 0.00 8.05 8.05 0.000e+00 1.200e-08 1.200e-08
|
||||
K-feldspar -13.96 -13.08 0.88 0.000e+00 0 0.000e+00
|
||||
K-mica -9.96 3.01 12.97 0.000e+00 0 0.000e+00
|
||||
Kaolinite -3.45 2.25 5.71 0.000e+00 0 0.000e+00
|
||||
@ -865,7 +865,7 @@ Kaolinite -3.45 2.25 5.71 0.000e+00 0 0.000e+00
|
||||
----------------------------Description of solution----------------------------
|
||||
|
||||
pH = 7.029 Charge balance
|
||||
pe = -1.250 Adjusted to redox equilibrium
|
||||
pe = -1.255 Adjusted to redox equilibrium
|
||||
Specific Conductance (uS/cm, 25 oC) = 0
|
||||
Density (g/cm3) = 0.99704
|
||||
Volume (L) = 1.00297
|
||||
@ -876,9 +876,9 @@ Kaolinite -3.45 2.25 5.71 0.000e+00 0 0.000e+00
|
||||
Total carbon (mol/kg) = 0.000e+00
|
||||
Total CO2 (mol/kg) = 0.000e+00
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = -3.040e-17
|
||||
Electrical balance (eq) = -2.243e-17
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
|
||||
Iterations = 10
|
||||
Iterations = 8
|
||||
Total H = 1.110124e+02
|
||||
Total O = 5.550622e+01
|
||||
|
||||
@ -896,12 +896,12 @@ Al 2.800e-08
|
||||
Al(OH)2+ 8.152e-10 8.149e-10 -9.089 -9.089 -0.000 (0)
|
||||
AlOH+2 9.738e-12 9.722e-12 -11.012 -11.012 -0.001 -27.81
|
||||
Al+3 9.187e-14 9.151e-14 -13.037 -13.039 -0.002 -44.55
|
||||
H(0) 3.920e-15
|
||||
H2 1.960e-15 1.960e-15 -14.708 -14.708 0.000 28.61
|
||||
H(0) 4.005e-15
|
||||
H2 2.002e-15 2.002e-15 -14.698 -14.698 0.000 28.61
|
||||
K 4.000e-08
|
||||
K+ 4.000e-08 3.998e-08 -7.398 -7.398 -0.000 8.98
|
||||
O(0) 0.000e+00
|
||||
O2 0.000e+00 0.000e+00 -62.965 -62.965 0.000 30.40
|
||||
O2 0.000e+00 0.000e+00 -62.983 -62.983 0.000 30.40
|
||||
Si 1.200e-07
|
||||
H4SiO4 1.198e-07 1.198e-07 -6.922 -6.922 0.000 52.08
|
||||
H3SiO4- 1.890e-10 1.889e-10 -9.723 -9.724 -0.000 27.94
|
||||
@ -913,13 +913,13 @@ Si 1.200e-07
|
||||
|
||||
Al(OH)3(a) -2.75 8.05 10.80 Al(OH)3
|
||||
Chalcedony -3.37 -6.92 -3.55 SiO2
|
||||
Gibbsite -0.00 8.05 8.05 Al(OH)3
|
||||
H2(g) -11.61 -14.71 -3.10 H2
|
||||
Gibbsite 0.00 8.05 8.05 Al(OH)3
|
||||
H2(g) -11.60 -14.70 -3.10 H2
|
||||
H2O(g) -1.50 -0.00 1.50 H2O
|
||||
K-feldspar -13.96 -13.08 0.88 KAlSi3O8
|
||||
K-mica -9.96 3.01 12.97 KAl3Si3O10(OH)2
|
||||
Kaolinite -3.45 2.25 5.71 Al2Si2O5(OH)4
|
||||
O2(g) -60.07 -62.96 -2.89 O2
|
||||
O2(g) -60.09 -62.98 -2.89 O2
|
||||
Quartz -2.94 -6.92 -3.98 SiO2
|
||||
SiO2(a) -4.21 -6.92 -2.71 SiO2
|
||||
|
||||
@ -967,7 +967,7 @@ Kaolinite -2.85 2.86 5.71 0.000e+00 0 0.000e+00
|
||||
----------------------------Description of solution----------------------------
|
||||
|
||||
pH = 7.103 Charge balance
|
||||
pe = 10.720 Adjusted to redox equilibrium
|
||||
pe = 11.463 Adjusted to redox equilibrium
|
||||
Specific Conductance (uS/cm, 25 oC) = 0
|
||||
Density (g/cm3) = 0.99704
|
||||
Volume (L) = 1.00297
|
||||
@ -978,9 +978,9 @@ Kaolinite -2.85 2.86 5.71 0.000e+00 0 0.000e+00
|
||||
Total carbon (mol/kg) = 0.000e+00
|
||||
Total CO2 (mol/kg) = 0.000e+00
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = -3.040e-17
|
||||
Electrical balance (eq) = -2.583e-17
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
|
||||
Iterations = 10
|
||||
Iterations = 9
|
||||
Total H = 1.110124e+02
|
||||
Total O = 5.550622e+01
|
||||
|
||||
@ -998,12 +998,12 @@ Al 3.269e-08
|
||||
Al(OH)2+ 6.875e-10 6.872e-10 -9.163 -9.163 -0.000 (0)
|
||||
AlOH+2 6.926e-12 6.913e-12 -11.160 -11.160 -0.001 -27.81
|
||||
Al+3 5.511e-14 5.487e-14 -13.259 -13.261 -0.002 -44.55
|
||||
H(0) 3.203e-39
|
||||
H2 1.602e-39 1.602e-39 -38.795 -38.795 0.000 28.61
|
||||
H(0) 0.000e+00
|
||||
H2 0.000e+00 0.000e+00 -40.282 -40.282 0.000 28.61
|
||||
K 8.000e-08
|
||||
K+ 8.000e-08 7.996e-08 -7.097 -7.097 -0.000 8.98
|
||||
O(0) 3.251e-15
|
||||
O2 1.625e-15 1.625e-15 -14.789 -14.789 0.000 30.40
|
||||
O(0) 3.051e-12
|
||||
O2 1.526e-12 1.526e-12 -11.817 -11.817 0.000 30.40
|
||||
Si 2.400e-07
|
||||
H4SiO4 2.396e-07 2.396e-07 -6.621 -6.621 0.000 52.08
|
||||
H3SiO4- 4.482e-10 4.480e-10 -9.349 -9.349 -0.000 27.94
|
||||
@ -1016,12 +1016,12 @@ Si 2.400e-07
|
||||
Al(OH)3(a) -2.75 8.05 10.80 Al(OH)3
|
||||
Chalcedony -3.07 -6.62 -3.55 SiO2
|
||||
Gibbsite 0.00 8.05 8.05 Al(OH)3
|
||||
H2(g) -35.69 -38.80 -3.10 H2
|
||||
H2(g) -37.18 -40.28 -3.10 H2
|
||||
H2O(g) -1.50 -0.00 1.50 H2O
|
||||
K-feldspar -12.68 -11.81 0.88 KAlSi3O8
|
||||
K-mica -8.68 4.29 12.97 KAl3Si3O10(OH)2
|
||||
Kaolinite -2.85 2.86 5.71 Al2Si2O5(OH)4
|
||||
O2(g) -11.90 -14.79 -2.89 O2
|
||||
O2(g) -8.92 -11.82 -2.89 O2
|
||||
Quartz -2.64 -6.62 -3.98 SiO2
|
||||
SiO2(a) -3.91 -6.62 -2.71 SiO2
|
||||
|
||||
@ -1080,7 +1080,7 @@ Kaolinite -2.25 3.46 5.71 0.000e+00 0 0.000e+00
|
||||
Total carbon (mol/kg) = 0.000e+00
|
||||
Total CO2 (mol/kg) = 0.000e+00
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = -2.121e-15
|
||||
Electrical balance (eq) = -1.730e-16
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
|
||||
Iterations = 9
|
||||
Total H = 1.110124e+02
|
||||
@ -1155,7 +1155,7 @@ Reaction 1.
|
||||
Moles in assemblage
|
||||
Phase SI log IAP log K(T, P) Initial Final Delta
|
||||
|
||||
Gibbsite -0.00 8.05 8.05 0.000e+00 2.505e-07 2.505e-07
|
||||
Gibbsite 0.00 8.05 8.05 0.000e+00 2.505e-07 2.505e-07
|
||||
K-feldspar -9.93 -9.06 0.88 0.000e+00 0 0.000e+00
|
||||
K-mica -5.93 7.04 12.97 0.000e+00 0 0.000e+00
|
||||
Kaolinite -1.65 4.06 5.71 0.000e+00 0 0.000e+00
|
||||
@ -1182,7 +1182,7 @@ Kaolinite -1.65 4.06 5.71 0.000e+00 0 0.000e+00
|
||||
Total carbon (mol/kg) = 0.000e+00
|
||||
Total CO2 (mol/kg) = 0.000e+00
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = -3.042e-17
|
||||
Electrical balance (eq) = -3.041e-17
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
|
||||
Iterations = 10
|
||||
Total H = 1.110124e+02
|
||||
@ -1219,7 +1219,7 @@ Si 9.600e-07
|
||||
|
||||
Al(OH)3(a) -2.75 8.05 10.80 Al(OH)3
|
||||
Chalcedony -2.47 -6.02 -3.55 SiO2
|
||||
Gibbsite -0.00 8.05 8.05 Al(OH)3
|
||||
Gibbsite 0.00 8.05 8.05 Al(OH)3
|
||||
H2(g) -11.76 -14.87 -3.10 H2
|
||||
H2O(g) -1.50 -0.00 1.50 H2O
|
||||
K-feldspar -9.93 -9.06 0.88 KAlSi3O8
|
||||
@ -1284,7 +1284,7 @@ Kaolinite -1.05 4.66 5.71 0.000e+00 0 0.000e+00
|
||||
Total carbon (mol/kg) = 0.000e+00
|
||||
Total CO2 (mol/kg) = 0.000e+00
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = -1.374e-16
|
||||
Electrical balance (eq) = -3.816e-15
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
|
||||
Iterations = 10
|
||||
Total H = 1.110124e+02
|
||||
@ -1359,7 +1359,7 @@ Reaction 1.
|
||||
Moles in assemblage
|
||||
Phase SI log IAP log K(T, P) Initial Final Delta
|
||||
|
||||
Gibbsite -0.00 8.05 8.05 0.000e+00 8.097e-07 8.097e-07
|
||||
Gibbsite 0.00 8.05 8.05 0.000e+00 8.097e-07 8.097e-07
|
||||
K-feldspar -7.52 -6.64 0.88 0.000e+00 0 0.000e+00
|
||||
K-mica -3.52 9.45 12.97 0.000e+00 0 0.000e+00
|
||||
Kaolinite -0.67 5.04 5.71 0.000e+00 0 0.000e+00
|
||||
@ -1386,9 +1386,9 @@ Kaolinite -0.67 5.04 5.71 0.000e+00 0 0.000e+00
|
||||
Total carbon (mol/kg) = 0.000e+00
|
||||
Total CO2 (mol/kg) = 0.000e+00
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = -4.791e-15
|
||||
Electrical balance (eq) = -3.305e-17
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
|
||||
Iterations = 10
|
||||
Iterations = 11
|
||||
Total H = 1.110124e+02
|
||||
Total O = 5.550622e+01
|
||||
|
||||
@ -1423,7 +1423,7 @@ Si 3.000e-06
|
||||
|
||||
Al(OH)3(a) -2.75 8.05 10.80 Al(OH)3
|
||||
Chalcedony -1.98 -5.53 -3.55 SiO2
|
||||
Gibbsite -0.00 8.05 8.05 Al(OH)3
|
||||
Gibbsite 0.00 8.05 8.05 Al(OH)3
|
||||
H2(g) -35.46 -38.56 -3.10 H2
|
||||
H2O(g) -1.50 -0.00 1.50 H2O
|
||||
K-feldspar -7.52 -6.64 0.88 KAlSi3O8
|
||||
@ -1488,7 +1488,7 @@ Kaolinite -0.07 5.64 5.71 0.000e+00 0 0.000e+00
|
||||
Total carbon (mol/kg) = 0.000e+00
|
||||
Total CO2 (mol/kg) = 0.000e+00
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = -1.567e-16
|
||||
Electrical balance (eq) = -6.917e-16
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
|
||||
Iterations = 11
|
||||
Total H = 1.110124e+02
|
||||
@ -1508,11 +1508,11 @@ Al 3.636e-07
|
||||
Al(OH)2+ 5.842e-11 5.832e-11 -10.233 -10.234 -0.001 (0)
|
||||
AlOH+2 5.013e-14 4.980e-14 -13.300 -13.303 -0.003 -27.80
|
||||
Al+3 3.406e-17 3.355e-17 -16.468 -16.474 -0.006 -44.54
|
||||
H(0) 3.875e-39
|
||||
H(0) 3.874e-39
|
||||
H2 1.937e-39 1.937e-39 -38.713 -38.713 0.000 28.61
|
||||
K 2.000e-06
|
||||
K+ 2.000e-06 1.997e-06 -5.699 -5.700 -0.001 8.98
|
||||
O(0) 2.221e-15
|
||||
O(0) 2.223e-15
|
||||
O2 1.111e-15 1.111e-15 -14.954 -14.954 0.000 30.40
|
||||
Si 6.000e-06
|
||||
H4SiO4 5.870e-06 5.870e-06 -5.231 -5.231 0.000 52.08
|
||||
@ -1590,9 +1590,9 @@ Kaolinite -0.00 5.71 5.71 0.000e+00 1.714e-06 1.714e-06
|
||||
Total carbon (mol/kg) = 0.000e+00
|
||||
Total CO2 (mol/kg) = 0.000e+00
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = -7.048e-17
|
||||
Electrical balance (eq) = -6.910e-17
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
|
||||
Iterations = 11
|
||||
Iterations = 12
|
||||
Total H = 1.110124e+02
|
||||
Total O = 5.550623e+01
|
||||
|
||||
@ -1668,7 +1668,7 @@ Phase SI log IAP log K(T, P) Initial Final Delta
|
||||
Gibbsite -0.38 7.67 8.05 0.000e+00 0 0.000e+00
|
||||
K-feldspar -3.98 -3.10 0.88 0.000e+00 0 0.000e+00
|
||||
K-mica -0.73 12.24 12.97 0.000e+00 0 0.000e+00
|
||||
Kaolinite -0.00 5.71 5.71 0.000e+00 3.697e-06 3.697e-06
|
||||
Kaolinite 0.00 5.71 5.71 0.000e+00 3.697e-06 3.697e-06
|
||||
|
||||
-----------------------------Solution composition------------------------------
|
||||
|
||||
@ -1692,9 +1692,9 @@ Kaolinite -0.00 5.71 5.71 0.000e+00 3.697e-06 3.697e-06
|
||||
Total carbon (mol/kg) = 0.000e+00
|
||||
Total CO2 (mol/kg) = 0.000e+00
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = -1.354e-17
|
||||
Electrical balance (eq) = -7.217e-16
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
|
||||
Iterations = 13
|
||||
Iterations = 12
|
||||
Total H = 1.110124e+02
|
||||
Total O = 5.550625e+01
|
||||
|
||||
@ -1734,7 +1734,7 @@ Si 1.661e-05
|
||||
H2O(g) -1.50 -0.00 1.50 H2O
|
||||
K-feldspar -3.98 -3.10 0.88 KAlSi3O8
|
||||
K-mica -0.73 12.24 12.97 KAl3Si3O10(OH)2
|
||||
Kaolinite -0.00 5.71 5.71 Al2Si2O5(OH)4
|
||||
Kaolinite 0.00 5.71 5.71 Al2Si2O5(OH)4
|
||||
O2(g) -12.15 -15.04 -2.89 O2
|
||||
Quartz -0.84 -4.82 -3.98 SiO2
|
||||
SiO2(a) -2.10 -4.82 -2.71 SiO2
|
||||
@ -1794,9 +1794,9 @@ Kaolinite 0.00 5.71 5.71 0.000e+00 7.703e-06 7.703e-06
|
||||
Total carbon (mol/kg) = 0.000e+00
|
||||
Total CO2 (mol/kg) = 0.000e+00
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = -8.168e-14
|
||||
Electrical balance (eq) = -1.356e-16
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
|
||||
Iterations = 12
|
||||
Iterations = 13
|
||||
Total H = 1.110124e+02
|
||||
Total O = 5.550628e+01
|
||||
|
||||
@ -1871,7 +1871,7 @@ Phase SI log IAP log K(T, P) Initial Final Delta
|
||||
|
||||
Gibbsite -0.93 7.12 8.05 0.000e+00 0 0.000e+00
|
||||
K-feldspar -2.14 -1.26 0.88 0.000e+00 0 0.000e+00
|
||||
K-mica 0.00 12.97 12.97 0.000e+00 1.014e-05 1.014e-05
|
||||
K-mica -0.00 12.97 12.97 0.000e+00 1.014e-05 1.014e-05
|
||||
Kaolinite -0.00 5.71 5.71 0.000e+00 6.295e-07 6.295e-07
|
||||
|
||||
-----------------------------Solution composition------------------------------
|
||||
@ -1896,9 +1896,9 @@ Kaolinite -0.00 5.71 5.71 0.000e+00 6.295e-07 6.295e-07
|
||||
Total carbon (mol/kg) = 0.000e+00
|
||||
Total CO2 (mol/kg) = 0.000e+00
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = 8.601e-14
|
||||
Electrical balance (eq) = 4.982e-14
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
||||
Iterations = 13
|
||||
Iterations = 14
|
||||
Total H = 1.110124e+02
|
||||
Total O = 5.550635e+01
|
||||
|
||||
@ -1937,7 +1937,7 @@ Si 6.433e-05
|
||||
H2(g) -35.13 -38.23 -3.10 H2
|
||||
H2O(g) -1.50 -0.00 1.50 H2O
|
||||
K-feldspar -2.14 -1.26 0.88 KAlSi3O8
|
||||
K-mica 0.00 12.97 12.97 KAl3Si3O10(OH)2
|
||||
K-mica -0.00 12.97 12.97 KAl3Si3O10(OH)2
|
||||
Kaolinite -0.00 5.71 5.71 Al2Si2O5(OH)4
|
||||
O2(g) -13.03 -15.92 -2.89 O2
|
||||
Quartz -0.28 -4.26 -3.98 SiO2
|
||||
@ -1998,9 +1998,9 @@ Kaolinite -0.29 5.41 5.71 0.000e+00 0 0.000e+00
|
||||
Total carbon (mol/kg) = 0.000e+00
|
||||
Total CO2 (mol/kg) = 0.000e+00
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = -9.930e-14
|
||||
Electrical balance (eq) = -3.049e-17
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
|
||||
Iterations = 16
|
||||
Iterations = 15
|
||||
Total H = 1.110124e+02
|
||||
Total O = 5.550647e+01
|
||||
|
||||
@ -2018,11 +2018,11 @@ Al 1.804e-07
|
||||
Al(OH)2+ 2.326e-13 2.308e-13 -12.633 -12.637 -0.003 (0)
|
||||
AlOH+2 1.816e-17 1.762e-17 -16.741 -16.754 -0.013 -27.79
|
||||
Al+3 1.136e-21 1.062e-21 -20.945 -20.974 -0.029 -44.50
|
||||
H(0) 8.194e-39
|
||||
H2 4.097e-39 4.097e-39 -38.388 -38.388 0.000 28.61
|
||||
H(0) 8.193e-39
|
||||
H2 4.096e-39 4.096e-39 -38.388 -38.388 0.000 28.61
|
||||
K 4.273e-05
|
||||
K+ 4.273e-05 4.240e-05 -4.369 -4.373 -0.003 8.99
|
||||
O(0) 4.967e-16
|
||||
O(0) 4.968e-16
|
||||
O2 2.484e-16 2.484e-16 -15.605 -15.605 0.000 30.40
|
||||
Si 1.282e-04
|
||||
H4SiO4 1.027e-04 1.027e-04 -3.989 -3.989 0.000 52.08
|
||||
@ -2075,7 +2075,7 @@ Phase SI log IAP log K(T, P) Initial Final Delta
|
||||
|
||||
Gibbsite -1.62 6.43 8.05 0.000e+00 0 0.000e+00
|
||||
K-feldspar -0.76 0.11 0.88 0.000e+00 0 0.000e+00
|
||||
K-mica -0.00 12.97 12.97 0.000e+00 3.329e-05 3.329e-05
|
||||
K-mica 0.00 12.97 12.97 0.000e+00 3.329e-05 3.329e-05
|
||||
Kaolinite -0.48 5.23 5.71 0.000e+00 0 0.000e+00
|
||||
|
||||
-----------------------------Solution composition------------------------------
|
||||
@ -2100,9 +2100,9 @@ Kaolinite -0.48 5.23 5.71 0.000e+00 0 0.000e+00
|
||||
Total carbon (mol/kg) = 0.000e+00
|
||||
Total CO2 (mol/kg) = 0.000e+00
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = -3.035e-17
|
||||
Electrical balance (eq) = -4.146e-13
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
|
||||
Iterations = 16
|
||||
Iterations = 15
|
||||
Total H = 1.110124e+02
|
||||
Total O = 5.550662e+01
|
||||
|
||||
@ -2120,8 +2120,8 @@ Al 1.175e-07
|
||||
Al(OH)2+ 1.049e-13 1.039e-13 -12.979 -12.984 -0.004 (0)
|
||||
AlOH+2 6.853e-18 6.599e-18 -17.164 -17.181 -0.016 -27.78
|
||||
Al+3 3.599e-22 3.308e-22 -21.444 -21.480 -0.037 -44.49
|
||||
H(0) 3.758e-15
|
||||
H2 1.879e-15 1.879e-15 -14.726 -14.726 0.000 28.61
|
||||
H(0) 3.760e-15
|
||||
H2 1.880e-15 1.880e-15 -14.726 -14.726 0.000 28.61
|
||||
K 6.671e-05
|
||||
K+ 6.671e-05 6.608e-05 -4.176 -4.180 -0.004 8.99
|
||||
O(0) 0.000e+00
|
||||
@ -2141,7 +2141,7 @@ Si 2.001e-04
|
||||
H2(g) -11.62 -14.73 -3.10 H2
|
||||
H2O(g) -1.50 -0.00 1.50 H2O
|
||||
K-feldspar -0.76 0.11 0.88 KAlSi3O8
|
||||
K-mica -0.00 12.97 12.97 KAl3Si3O10(OH)2
|
||||
K-mica 0.00 12.97 12.97 KAl3Si3O10(OH)2
|
||||
Kaolinite -0.48 5.23 5.71 Al2Si2O5(OH)4
|
||||
O2(g) -60.04 -62.93 -2.89 O2
|
||||
Quartz 0.17 -3.81 -3.98 SiO2
|
||||
@ -2202,9 +2202,9 @@ Kaolinite -0.72 4.99 5.71 0.000e+00 0 0.000e+00
|
||||
Total carbon (mol/kg) = 0.000e+00
|
||||
Total CO2 (mol/kg) = 0.000e+00
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = 4.688e-15
|
||||
Electrical balance (eq) = 1.541e-16
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
||||
Iterations = 18
|
||||
Iterations = 15
|
||||
Total H = 1.110123e+02
|
||||
Total O = 5.550698e+01
|
||||
|
||||
@ -2223,10 +2223,10 @@ Al 5.973e-08
|
||||
AlOH+2 1.954e-18 1.855e-18 -17.709 -17.732 -0.023 -27.77
|
||||
Al+3 8.576e-23 7.641e-23 -22.067 -22.117 -0.050 -44.46
|
||||
H(0) 3.149e-39
|
||||
H2 1.574e-39 1.575e-39 -38.803 -38.803 0.000 28.61
|
||||
H2 1.575e-39 1.575e-39 -38.803 -38.803 0.000 28.61
|
||||
K 1.273e-04
|
||||
K+ 1.273e-04 1.256e-04 -3.895 -3.901 -0.006 8.99
|
||||
O(0) 3.363e-15
|
||||
O(0) 3.362e-15
|
||||
O2 1.681e-15 1.681e-15 -14.774 -14.774 0.000 30.40
|
||||
Si 3.819e-04
|
||||
H4SiO4 2.797e-04 2.797e-04 -3.553 -3.553 0.000 52.08
|
||||
@ -2470,7 +2470,7 @@ Kaolinite -9.09 -3.38 5.71 0.000e+00 0 0.000e+00
|
||||
----------------------------Description of solution----------------------------
|
||||
|
||||
pH = 7.000 Charge balance
|
||||
pe = 11.411 Adjusted to redox equilibrium
|
||||
pe = 11.011 Adjusted to redox equilibrium
|
||||
Specific Conductance (uS/cm, 25 oC) = 0
|
||||
Density (g/cm3) = 0.99704
|
||||
Volume (L) = 1.00297
|
||||
@ -2483,7 +2483,7 @@ Kaolinite -9.09 -3.38 5.71 0.000e+00 0 0.000e+00
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = -1.216e-09
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.60
|
||||
Iterations = 42
|
||||
Iterations = 34
|
||||
Total H = 1.110124e+02
|
||||
Total O = 5.550622e+01
|
||||
|
||||
@ -2501,12 +2501,12 @@ Al 1.266e-09
|
||||
Al(OH)2+ 4.178e-11 4.176e-11 -10.379 -10.379 -0.000 (0)
|
||||
AlOH+2 5.332e-13 5.324e-13 -12.273 -12.274 -0.001 -27.81
|
||||
Al+3 5.375e-15 5.357e-15 -14.270 -14.271 -0.001 -44.55
|
||||
H(0) 2.129e-40
|
||||
H2 1.065e-40 1.065e-40 -39.973 -39.973 0.000 28.61
|
||||
H(0) 1.346e-39
|
||||
H2 6.732e-40 6.732e-40 -39.172 -39.172 0.000 28.61
|
||||
K 1.266e-09
|
||||
K+ 1.266e-09 1.265e-09 -8.898 -8.898 -0.000 8.98
|
||||
O(0) 7.354e-13
|
||||
O2 3.677e-13 3.677e-13 -12.434 -12.434 0.000 30.40
|
||||
O(0) 1.839e-14
|
||||
O2 9.197e-15 9.197e-15 -14.036 -14.036 0.000 30.40
|
||||
Si 3.797e-09
|
||||
H4SiO4 3.791e-09 3.791e-09 -8.421 -8.421 0.000 52.08
|
||||
H3SiO4- 5.596e-12 5.594e-12 -11.252 -11.252 -0.000 27.94
|
||||
@ -2519,12 +2519,12 @@ Si 3.797e-09
|
||||
Al(OH)3(a) -4.07 6.73 10.80 Al(OH)3
|
||||
Chalcedony -4.87 -8.42 -3.55 SiO2
|
||||
Gibbsite -1.32 6.73 8.05 Al(OH)3
|
||||
H2(g) -36.87 -39.97 -3.10 H2
|
||||
H2(g) -36.07 -39.17 -3.10 H2
|
||||
H2O(g) -1.50 -0.00 1.50 H2O
|
||||
K-feldspar -21.31 -20.43 0.88 KAlSi3O8
|
||||
K-mica -19.94 -6.97 12.97 KAl3Si3O10(OH)2
|
||||
Kaolinite -9.09 -3.38 5.71 Al2Si2O5(OH)4
|
||||
O2(g) -9.54 -12.43 -2.89 O2
|
||||
O2(g) -11.14 -14.04 -2.89 O2
|
||||
Quartz -4.44 -8.42 -3.98 SiO2
|
||||
SiO2(a) -5.71 -8.42 -2.71 SiO2
|
||||
|
||||
@ -2569,7 +2569,7 @@ Kaolinite -4.93 0.78 5.71 0.000e+00 0 0.000e+00
|
||||
----------------------------Description of solution----------------------------
|
||||
|
||||
pH = 7.003 Charge balance
|
||||
pe = 11.408 Adjusted to redox equilibrium
|
||||
pe = 10.987 Adjusted to redox equilibrium
|
||||
Specific Conductance (uS/cm, 25 oC) = 0
|
||||
Density (g/cm3) = 0.99704
|
||||
Volume (L) = 1.00297
|
||||
@ -2582,7 +2582,7 @@ Kaolinite -4.93 0.78 5.71 0.000e+00 0 0.000e+00
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = -1.216e-09
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.53
|
||||
Iterations = 17
|
||||
Iterations = 9
|
||||
Total H = 1.110124e+02
|
||||
Total O = 5.550622e+01
|
||||
|
||||
@ -2600,12 +2600,12 @@ Al 1.392e-08
|
||||
Al(OH)2+ 4.535e-10 4.534e-10 -9.343 -9.344 -0.000 (0)
|
||||
AlOH+2 5.750e-12 5.741e-12 -11.240 -11.241 -0.001 -27.81
|
||||
Al+3 5.756e-14 5.735e-14 -13.240 -13.241 -0.002 -44.55
|
||||
H(0) 2.133e-40
|
||||
H2 1.067e-40 1.067e-40 -39.972 -39.972 0.000 28.61
|
||||
H(0) 1.484e-39
|
||||
H2 7.418e-40 7.418e-40 -39.130 -39.130 0.000 28.61
|
||||
K 1.392e-08
|
||||
K+ 1.392e-08 1.392e-08 -7.856 -7.856 -0.000 8.98
|
||||
O(0) 7.328e-13
|
||||
O2 3.664e-13 3.664e-13 -12.436 -12.436 0.000 30.40
|
||||
O(0) 1.515e-14
|
||||
O2 7.576e-15 7.576e-15 -14.121 -14.121 0.000 30.40
|
||||
Si 4.176e-08
|
||||
H4SiO4 4.170e-08 4.170e-08 -7.380 -7.380 0.000 52.08
|
||||
H3SiO4- 6.198e-11 6.196e-11 -10.208 -10.208 -0.000 27.94
|
||||
@ -2618,12 +2618,12 @@ Si 4.176e-08
|
||||
Al(OH)3(a) -3.03 7.77 10.80 Al(OH)3
|
||||
Chalcedony -3.83 -7.38 -3.55 SiO2
|
||||
Gibbsite -0.28 7.77 8.05 Al(OH)3
|
||||
H2(g) -36.87 -39.97 -3.10 H2
|
||||
H2(g) -36.03 -39.13 -3.10 H2
|
||||
H2O(g) -1.50 -0.00 1.50 H2O
|
||||
K-feldspar -16.10 -15.22 0.88 KAlSi3O8
|
||||
K-mica -12.66 0.31 12.97 KAl3Si3O10(OH)2
|
||||
Kaolinite -4.93 0.78 5.71 Al2Si2O5(OH)4
|
||||
O2(g) -9.54 -12.44 -2.89 O2
|
||||
O2(g) -11.23 -14.12 -2.89 O2
|
||||
Quartz -3.40 -7.38 -3.98 SiO2
|
||||
SiO2(a) -4.67 -7.38 -2.71 SiO2
|
||||
|
||||
@ -2654,7 +2654,7 @@ A: Gibbsite 1100 1.4048e-01 3.5642e-01 -6.3763e+00
|
||||
Moles in assemblage
|
||||
Phase SI log IAP log K(T, P) Initial Final Delta
|
||||
|
||||
Gibbsite -0.00 8.05 8.05 0.000e+00 9.946e-08 9.946e-08
|
||||
Gibbsite 0.00 8.05 8.05 0.000e+00 9.946e-08 9.946e-08
|
||||
K-mica -7.60 5.37 12.97 0.000e+00 0 0.000e+00
|
||||
Kaolinite -2.36 3.35 5.71 0.000e+00 0 0.000e+00
|
||||
|
||||
@ -2669,7 +2669,7 @@ Kaolinite -2.36 3.35 5.71 0.000e+00 0 0.000e+00
|
||||
----------------------------Description of solution----------------------------
|
||||
|
||||
pH = 7.209 Charge balance
|
||||
pe = 11.202 Adjusted to redox equilibrium
|
||||
pe = 10.746 Adjusted to redox equilibrium
|
||||
Specific Conductance (uS/cm, 25 oC) = 0
|
||||
Density (g/cm3) = 0.99704
|
||||
Volume (L) = 1.00297
|
||||
@ -2682,7 +2682,7 @@ Kaolinite -2.36 3.35 5.71 0.000e+00 0 0.000e+00
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = -1.216e-09
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.30
|
||||
Iterations = 17
|
||||
Iterations = 10
|
||||
Total H = 1.110124e+02
|
||||
Total O = 5.550622e+01
|
||||
|
||||
@ -2700,12 +2700,12 @@ Al 4.101e-08
|
||||
Al(OH)2+ 5.388e-10 5.386e-10 -9.269 -9.269 -0.000 (0)
|
||||
AlOH+2 4.255e-12 4.246e-12 -11.371 -11.372 -0.001 -27.81
|
||||
Al+3 2.654e-14 2.642e-14 -13.576 -13.578 -0.002 -44.55
|
||||
H(0) 2.135e-40
|
||||
H2 1.068e-40 1.068e-40 -39.972 -39.972 0.000 28.61
|
||||
H(0) 1.742e-39
|
||||
H2 8.708e-40 8.708e-40 -39.060 -39.060 0.000 28.61
|
||||
K 1.405e-07
|
||||
K+ 1.405e-07 1.404e-07 -6.852 -6.853 -0.000 8.98
|
||||
O(0) 7.316e-13
|
||||
O2 3.658e-13 3.658e-13 -12.437 -12.437 0.000 30.40
|
||||
O(0) 1.099e-14
|
||||
O2 5.497e-15 5.497e-15 -14.260 -14.260 0.000 30.40
|
||||
Si 4.214e-07
|
||||
H4SiO4 4.204e-07 4.204e-07 -6.376 -6.376 0.000 52.08
|
||||
H3SiO4- 1.004e-09 1.003e-09 -8.998 -8.999 -0.000 27.94
|
||||
@ -2717,13 +2717,13 @@ Si 4.214e-07
|
||||
|
||||
Al(OH)3(a) -2.75 8.05 10.80 Al(OH)3
|
||||
Chalcedony -2.82 -6.38 -3.55 SiO2
|
||||
Gibbsite -0.00 8.05 8.05 Al(OH)3
|
||||
H2(g) -36.87 -39.97 -3.10 H2
|
||||
Gibbsite 0.00 8.05 8.05 Al(OH)3
|
||||
H2(g) -35.96 -39.06 -3.10 H2
|
||||
H2O(g) -1.50 -0.00 1.50 H2O
|
||||
K-feldspar -11.60 -10.72 0.88 KAlSi3O8
|
||||
K-mica -7.60 5.37 12.97 KAl3Si3O10(OH)2
|
||||
Kaolinite -2.36 3.35 5.71 Al2Si2O5(OH)4
|
||||
O2(g) -9.54 -12.44 -2.89 O2
|
||||
O2(g) -11.37 -14.26 -2.89 O2
|
||||
Quartz -2.40 -6.38 -3.98 SiO2
|
||||
SiO2(a) -3.66 -6.38 -2.71 SiO2
|
||||
|
||||
@ -2769,7 +2769,7 @@ Kaolinite -0.37 5.33 5.71 0.000e+00 0 0.000e+00
|
||||
----------------------------Description of solution----------------------------
|
||||
|
||||
pH = 8.032 Charge balance
|
||||
pe = 10.378 Adjusted to redox equilibrium
|
||||
pe = -2.768 Adjusted to redox equilibrium
|
||||
Specific Conductance (uS/cm, 25 oC) = 0
|
||||
Density (g/cm3) = 0.99704
|
||||
Volume (L) = 1.00297
|
||||
@ -2782,7 +2782,7 @@ Kaolinite -0.37 5.33 5.71 0.000e+00 0 0.000e+00
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = -1.216e-09
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.04
|
||||
Iterations = 76
|
||||
Iterations = 137
|
||||
Total H = 1.110124e+02
|
||||
Total O = 5.550622e+01
|
||||
|
||||
@ -2800,12 +2800,12 @@ Al 2.620e-07
|
||||
Al(OH)2+ 8.115e-11 8.104e-11 -10.091 -10.091 -0.001 (0)
|
||||
AlOH+2 9.668e-14 9.614e-14 -13.015 -13.017 -0.002 -27.81
|
||||
Al+3 9.113e-17 8.999e-17 -16.040 -16.046 -0.005 -44.54
|
||||
H(0) 2.144e-40
|
||||
H2 1.072e-40 1.072e-40 -39.970 -39.970 0.000 28.61
|
||||
H(0) 4.202e-14
|
||||
H2 2.101e-14 2.101e-14 -13.678 -13.678 0.000 28.61
|
||||
K 1.406e-06
|
||||
K+ 1.406e-06 1.404e-06 -5.852 -5.853 -0.001 8.98
|
||||
O(0) 7.256e-13
|
||||
O2 3.628e-13 3.628e-13 -12.440 -12.440 0.000 30.40
|
||||
O(0) 0.000e+00
|
||||
O2 0.000e+00 0.000e+00 -65.025 -65.025 0.000 30.40
|
||||
Si 4.218e-06
|
||||
H4SiO4 4.152e-06 4.152e-06 -5.382 -5.382 0.000 52.08
|
||||
H3SiO4- 6.594e-08 6.584e-08 -7.181 -7.181 -0.001 27.94
|
||||
@ -2818,12 +2818,12 @@ Si 4.218e-06
|
||||
Al(OH)3(a) -2.75 8.05 10.80 Al(OH)3
|
||||
Chalcedony -1.83 -5.38 -3.55 SiO2
|
||||
Gibbsite -0.00 8.05 8.05 Al(OH)3
|
||||
H2(g) -36.87 -39.97 -3.10 H2
|
||||
H2(g) -10.58 -13.68 -3.10 H2
|
||||
H2O(g) -1.50 -0.00 1.50 H2O
|
||||
K-feldspar -6.79 -5.92 0.88 KAlSi3O8
|
||||
K-mica -2.79 10.18 12.97 KAl3Si3O10(OH)2
|
||||
Kaolinite -0.37 5.33 5.71 Al2Si2O5(OH)4
|
||||
O2(g) -9.55 -12.44 -2.89 O2
|
||||
O2(g) -62.13 -65.02 -2.89 O2
|
||||
Quartz -1.40 -5.38 -3.98 SiO2
|
||||
SiO2(a) -2.67 -5.38 -2.71 SiO2
|
||||
|
||||
@ -2871,7 +2871,7 @@ Kaolinite -0.00 5.71 5.71 0.000e+00 6.730e-06 6.730e-06
|
||||
----------------------------Description of solution----------------------------
|
||||
|
||||
pH = 8.987 Charge balance
|
||||
pe = 9.416 Adjusted to redox equilibrium
|
||||
pe = -3.532 Adjusted to redox equilibrium
|
||||
Specific Conductance (uS/cm, 25 oC) = 2
|
||||
Density (g/cm3) = 0.99705
|
||||
Volume (L) = 1.00297
|
||||
@ -2884,7 +2884,7 @@ Kaolinite -0.00 5.71 5.71 0.000e+00 6.730e-06 6.730e-06
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = -1.216e-09
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
|
||||
Iterations = 823
|
||||
Iterations = 468
|
||||
Total H = 1.110124e+02
|
||||
Total O = 5.550627e+01
|
||||
|
||||
@ -2902,12 +2902,12 @@ Al 5.993e-07
|
||||
Al(OH)2+ 2.295e-12 2.285e-12 -11.639 -11.641 -0.002 (0)
|
||||
AlOH+2 3.060e-16 3.007e-16 -15.514 -15.522 -0.008 -27.80
|
||||
Al+3 3.247e-20 3.122e-20 -19.489 -19.506 -0.017 -44.52
|
||||
H(0) 2.218e-40
|
||||
H2 1.109e-40 1.109e-40 -39.955 -39.955 0.000 28.61
|
||||
H(0) 1.747e-14
|
||||
H2 8.737e-15 8.737e-15 -14.059 -14.059 0.000 28.61
|
||||
K 1.406e-05
|
||||
K+ 1.406e-05 1.400e-05 -4.852 -4.854 -0.002 8.98
|
||||
O(0) 6.780e-13
|
||||
O2 3.390e-13 3.390e-13 -12.470 -12.470 0.000 30.40
|
||||
O(0) 0.000e+00
|
||||
O2 0.000e+00 0.000e+00 -64.263 -64.263 0.000 30.40
|
||||
Si 2.872e-05
|
||||
H4SiO4 2.511e-05 2.511e-05 -4.600 -4.600 0.000 52.08
|
||||
H3SiO4- 3.606e-06 3.590e-06 -5.443 -5.445 -0.002 27.95
|
||||
@ -2920,12 +2920,12 @@ Si 2.872e-05
|
||||
Al(OH)3(a) -3.35 7.45 10.80 Al(OH)3
|
||||
Chalcedony -1.05 -4.60 -3.55 SiO2
|
||||
Gibbsite -0.59 7.45 8.05 Al(OH)3
|
||||
H2(g) -36.85 -39.96 -3.10 H2
|
||||
H2(g) -10.96 -14.06 -3.10 H2
|
||||
H2O(g) -1.50 -0.00 1.50 H2O
|
||||
K-feldspar -3.09 -2.21 0.88 KAlSi3O8
|
||||
K-mica -0.28 12.69 12.97 KAl3Si3O10(OH)2
|
||||
Kaolinite -0.00 5.71 5.71 Al2Si2O5(OH)4
|
||||
O2(g) -9.58 -12.47 -2.89 O2
|
||||
O2(g) -61.37 -64.26 -2.89 O2
|
||||
Quartz -0.62 -4.60 -3.98 SiO2
|
||||
SiO2(a) -1.89 -4.60 -2.71 SiO2
|
||||
|
||||
@ -2975,7 +2975,7 @@ Kaolinite -0.57 5.14 5.71 6.730e-06 0 -6.730e-06
|
||||
----------------------------Description of solution----------------------------
|
||||
|
||||
pH = 9.338 Charge balance
|
||||
pe = 9.073 Adjusted to redox equilibrium
|
||||
pe = -4.360 Adjusted to redox equilibrium
|
||||
Specific Conductance (uS/cm, 25 oC) = 10
|
||||
Density (g/cm3) = 0.99706
|
||||
Volume (L) = 1.00298
|
||||
@ -2986,9 +2986,9 @@ Kaolinite -0.57 5.14 5.71 6.730e-06 0 -6.730e-06
|
||||
Total carbon (mol/kg) = 0.000e+00
|
||||
Total CO2 (mol/kg) = 0.000e+00
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = -1.216e-09
|
||||
Electrical balance (eq) = -1.219e-09
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
|
||||
Iterations = 7480
|
||||
Iterations = 3413
|
||||
Total H = 1.110123e+02
|
||||
Total O = 5.550672e+01
|
||||
|
||||
@ -3006,12 +3006,12 @@ Al 9.244e-08
|
||||
Al(OH)2+ 7.020e-14 6.946e-14 -13.154 -13.158 -0.005 (0)
|
||||
AlOH+2 4.247e-18 4.070e-18 -17.372 -17.390 -0.018 -27.78
|
||||
Al+3 2.069e-22 1.882e-22 -21.684 -21.725 -0.041 -44.48
|
||||
H(0) 2.131e-40
|
||||
H2 1.066e-40 1.066e-40 -39.972 -39.972 0.000 28.61
|
||||
H(0) 1.569e-13
|
||||
H2 7.843e-14 7.843e-14 -13.106 -13.106 0.000 28.61
|
||||
K 8.445e-05
|
||||
K+ 8.445e-05 8.355e-05 -4.073 -4.078 -0.005 8.99
|
||||
O(0) 7.342e-13
|
||||
O2 3.671e-13 3.671e-13 -12.435 -12.435 0.000 30.40
|
||||
O(0) 0.000e+00
|
||||
O2 0.000e+00 0.000e+00 -66.169 -66.169 0.000 30.40
|
||||
Si 2.534e-04
|
||||
H4SiO4 1.913e-04 1.913e-04 -3.718 -3.718 0.000 52.08
|
||||
H3SiO4- 6.207e-05 6.141e-05 -4.207 -4.212 -0.005 27.95
|
||||
@ -3024,12 +3024,12 @@ Si 2.534e-04
|
||||
Al(OH)3(a) -4.51 6.29 10.80 Al(OH)3
|
||||
Chalcedony -0.17 -3.72 -3.55 SiO2
|
||||
Gibbsite -1.76 6.29 8.05 Al(OH)3
|
||||
H2(g) -36.87 -39.97 -3.10 H2
|
||||
H2(g) -10.00 -13.11 -3.10 H2
|
||||
H2O(g) -1.50 -0.00 1.50 H2O
|
||||
K-feldspar -0.48 0.39 0.88 KAlSi3O8
|
||||
K-mica -0.00 12.97 12.97 KAl3Si3O10(OH)2
|
||||
Kaolinite -0.57 5.14 5.71 Al2Si2O5(OH)4
|
||||
O2(g) -9.54 -12.44 -2.89 O2
|
||||
O2(g) -63.28 -66.17 -2.89 O2
|
||||
Quartz 0.26 -3.72 -3.98 SiO2
|
||||
SiO2(a) -1.01 -3.72 -2.71 SiO2
|
||||
|
||||
@ -3066,7 +3066,7 @@ F: K-mica -> K-feldspar 4.7638e+07 1.9074e+02 5.4868e+00 -3.5536e+00
|
||||
Phase SI log IAP log K(T, P) Initial Final Delta
|
||||
|
||||
Gibbsite -2.00 6.05 8.05 0.000e+00 0 0.000e+00
|
||||
K-mica -0.00 12.97 12.97 4.218e-05 6.362e-05 2.144e-05
|
||||
K-mica 0.00 12.97 12.97 4.218e-05 6.362e-05 2.144e-05
|
||||
Kaolinite -0.72 4.99 5.71 0.000e+00 0 0.000e+00
|
||||
|
||||
-----------------------------Solution composition------------------------------
|
||||
@ -3080,7 +3080,7 @@ Kaolinite -0.72 4.99 5.71 0.000e+00 0 0.000e+00
|
||||
----------------------------Description of solution----------------------------
|
||||
|
||||
pH = 9.388 Charge balance
|
||||
pe = 9.033 Adjusted to redox equilibrium
|
||||
pe = 9.149 Adjusted to redox equilibrium
|
||||
Specific Conductance (uS/cm, 25 oC) = 14
|
||||
Density (g/cm3) = 0.99707
|
||||
Volume (L) = 1.00298
|
||||
@ -3091,9 +3091,9 @@ Kaolinite -0.72 4.99 5.71 0.000e+00 0 0.000e+00
|
||||
Total carbon (mol/kg) = 0.000e+00
|
||||
Total CO2 (mol/kg) = 0.000e+00
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = -1.216e-09
|
||||
Electrical balance (eq) = -1.219e-09
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
|
||||
Iterations = 4540
|
||||
Iterations = 1844
|
||||
Total H = 1.110123e+02
|
||||
Total O = 5.550698e+01
|
||||
|
||||
@ -3111,12 +3111,12 @@ Al 5.973e-08
|
||||
Al(OH)2+ 3.600e-14 3.553e-14 -13.444 -13.449 -0.006 (0)
|
||||
AlOH+2 1.954e-18 1.855e-18 -17.709 -17.732 -0.023 -27.77
|
||||
Al+3 8.576e-23 7.641e-23 -22.067 -22.117 -0.050 -44.46
|
||||
H(0) 2.036e-40
|
||||
H2 1.018e-40 1.018e-40 -39.992 -39.992 0.000 28.61
|
||||
H(0) 0.000e+00
|
||||
H2 0.000e+00 0.000e+00 -40.225 -40.225 0.000 28.61
|
||||
K 1.273e-04
|
||||
K+ 1.273e-04 1.256e-04 -3.895 -3.901 -0.006 8.99
|
||||
O(0) 8.044e-13
|
||||
O2 4.022e-13 4.022e-13 -12.396 -12.396 0.000 30.40
|
||||
O(0) 2.347e-12
|
||||
O2 1.173e-12 1.173e-12 -11.931 -11.931 0.000 30.40
|
||||
Si 3.819e-04
|
||||
H4SiO4 2.797e-04 2.797e-04 -3.553 -3.553 0.000 52.08
|
||||
H3SiO4- 1.021e-04 1.008e-04 -3.991 -3.996 -0.006 27.95
|
||||
@ -3129,12 +3129,12 @@ Si 3.819e-04
|
||||
Al(OH)3(a) -4.75 6.05 10.80 Al(OH)3
|
||||
Chalcedony -0.00 -3.55 -3.55 SiO2
|
||||
Gibbsite -2.00 6.05 8.05 Al(OH)3
|
||||
H2(g) -36.89 -39.99 -3.10 H2
|
||||
H2(g) -37.12 -40.22 -3.10 H2
|
||||
H2O(g) -1.50 -0.00 1.50 H2O
|
||||
K-feldspar -0.00 0.87 0.88 KAlSi3O8
|
||||
K-mica -0.00 12.97 12.97 KAl3Si3O10(OH)2
|
||||
K-mica 0.00 12.97 12.97 KAl3Si3O10(OH)2
|
||||
Kaolinite -0.72 4.99 5.71 Al2Si2O5(OH)4
|
||||
O2(g) -9.50 -12.40 -2.89 O2
|
||||
O2(g) -9.04 -11.93 -2.89 O2
|
||||
Quartz 0.43 -3.55 -3.98 SiO2
|
||||
SiO2(a) -0.84 -3.55 -2.71 SiO2
|
||||
|
||||
@ -3809,6 +3809,6 @@ Reading input data for simulation 12.
|
||||
-------------------------------------
|
||||
|
||||
------------------------------
|
||||
End of Run after 0.84 Seconds.
|
||||
End of Run after 0.61 Seconds.
|
||||
------------------------------
|
||||
|
||||
|
||||
32
ex6A-B.sel
32
ex6A-B.sel
@ -1,22 +1,22 @@
|
||||
sim state soln dist_x time step pH pe la_K+ la_H+ la_H4SiO4 Gibbsite d_Gibbsite Kaolinite d_Kaolinite K-mica d_K-mica K-feldspar d_K-feldspar si_Gibbsite si_Kaolinite si_K-mica si_K-feldspar
|
||||
1 i_soln 1 -99 -99 -99 6.99738 4 -1.0000e+03 -6.9974e+00 -1.0000e+03 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 -999.9990 -999.9990 -999.9990 -999.9990
|
||||
2 react 1 -99 0 1 7.00369 10.3683 -7.5756e+00 -7.0037e+00 -7.0990e+00 1.0000e+01 -2.6579e-08 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000 -3.8080 -10.6919 -14.6949
|
||||
3 react 1 -99 0 1 8.20884 9.16278 -5.6626e+00 -8.2088e+00 -5.1950e+00 1.7849e-06 1.7849e-06 1.0000e+01 -2.1784e-06 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000 0.0000 -1.8618 -5.8648
|
||||
4 react 1 -99 0 1 9.10706 8.26454 -4.6991e+00 -9.1071e+00 -4.4650e+00 0.0000e+00 0.0000e+00 9.7604e-06 9.7604e-06 1.0000e+01 -2.0101e-05 0.0000e+00 0.0000e+00 -0.7300 0.0000 0.0000 -2.5429
|
||||
5 react 1 -99 0 1 9.38811 7.98363 -3.9009e+00 -9.3881e+00 -3.5533e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 6.3616e-05 6.3616e-05 9.9998e+00 -1.9091e-04 -2.0015 -0.7195 -0.0000 0.0000
|
||||
6 react 1 -99 0 1 8.35063 9.021 -5.5202e+00 -8.3506e+00 -5.1950e+00 1.0000e+01 -3.0245e-06 1.0000e+00 1.2397e-06 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000 0.0000 -1.5776 -5.5806
|
||||
7 react 1 -99 0 1 9.06827 -3.25856 -4.6603e+00 -9.0683e+00 -4.2503e+00 0.0000e+00 0.0000e+00 1.0000e+01 -3.2815e-05 1.0000e+00 1.0830e-05 0.0000e+00 0.0000e+00 -0.9448 0.0000 -0.0000 -2.1135
|
||||
8 react 1 -99 0 1 7.02917 -1.2503 -7.3981e+00 -7.0292e+00 -6.9215e+00 1.1996e-08 1.1996e-08 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 -0.0000 -3.4530 -9.9565 -13.9595
|
||||
8 react 1 -99 0 2 7.10321 10.7195 -7.0971e+00 -7.1032e+00 -6.6206e+00 4.7312e-08 4.7312e-08 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000 -2.8512 -8.6787 -12.6817
|
||||
2 react 1 -99 0 1 7.00369 10.3679 -7.5756e+00 -7.0037e+00 -7.0990e+00 1.0000e+01 -2.6579e-08 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 -0.0000 -3.8080 -10.6919 -14.6949
|
||||
3 react 1 -99 0 1 8.20884 9.16278 -5.6626e+00 -8.2088e+00 -5.1950e+00 1.7849e-06 1.7849e-06 1.0000e+01 -2.1784e-06 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 -0.0000 -0.0000 -1.8618 -5.8648
|
||||
4 react 1 -99 0 1 9.10706 8.26456 -4.6991e+00 -9.1071e+00 -4.4650e+00 0.0000e+00 0.0000e+00 9.7604e-06 9.7604e-06 1.0000e+01 -2.0101e-05 0.0000e+00 0.0000e+00 -0.7300 -0.0000 0.0000 -2.5429
|
||||
5 react 1 -99 0 1 9.38811 7.98342 -3.9009e+00 -9.3881e+00 -3.5533e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 6.3616e-05 6.3616e-05 9.9998e+00 -1.9091e-04 -2.0015 -0.7195 0.0000 0.0000
|
||||
6 react 1 -99 0 1 8.35063 9.021 -5.5202e+00 -8.3506e+00 -5.1950e+00 1.0000e+01 -3.0245e-06 1.0000e+00 1.2397e-06 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000 -0.0000 -1.5776 -5.5806
|
||||
7 react 1 -99 0 1 9.06827 -3.25856 -4.6603e+00 -9.0683e+00 -4.2503e+00 0.0000e+00 0.0000e+00 1.0000e+01 -3.2815e-05 1.0000e+00 1.0830e-05 0.0000e+00 0.0000e+00 -0.9448 0.0000 0.0000 -2.1135
|
||||
8 react 1 -99 0 1 7.02917 -1.25493 -7.3981e+00 -7.0292e+00 -6.9215e+00 1.1996e-08 1.1996e-08 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000 -3.4530 -9.9565 -13.9595
|
||||
8 react 1 -99 0 2 7.10321 11.4626 -7.0971e+00 -7.1032e+00 -6.6206e+00 4.7312e-08 4.7312e-08 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000 -2.8512 -8.6787 -12.6817
|
||||
8 react 1 -99 0 3 7.2381 -1.23219 -6.7961e+00 -7.2381e+00 -6.3199e+00 1.1631e-07 1.1631e-07 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000 -2.2497 -7.3406 -11.3436
|
||||
8 react 1 -99 0 4 7.44792 -1.59012 -6.4952e+00 -7.4479e+00 -6.0195e+00 2.5047e-07 2.5047e-07 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 -0.0000 -1.6490 -5.9288 -9.9318
|
||||
8 react 1 -99 0 4 7.44792 -1.59012 -6.4952e+00 -7.4479e+00 -6.0195e+00 2.5047e-07 2.5047e-07 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000 -1.6490 -5.9288 -9.9318
|
||||
8 react 1 -99 0 5 7.71092 -2.00241 -6.1942e+00 -7.7109e+00 -5.7200e+00 5.1404e-07 5.1404e-07 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 -0.0000 -1.0500 -4.4663 -8.4693
|
||||
8 react 1 -99 0 6 7.89183 9.81356 -6.0005e+00 -7.8918e+00 -5.5278e+00 8.0972e-07 8.0972e-07 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 -0.0000 -0.6657 -3.5152 -7.5182
|
||||
8 react 1 -99 0 7 8.17443 9.60696 -5.6997e+00 -8.1744e+00 -5.2313e+00 1.6364e-06 1.6364e-06 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000 -0.0727 -2.0422 -6.0452
|
||||
8 react 1 -99 0 6 7.89183 9.81356 -6.0005e+00 -7.8918e+00 -5.5278e+00 8.0972e-07 8.0972e-07 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000 -0.6657 -3.5152 -7.5182
|
||||
8 react 1 -99 0 7 8.17443 9.60703 -5.6997e+00 -8.1744e+00 -5.2313e+00 1.6364e-06 1.6364e-06 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000 -0.0727 -2.0422 -6.0452
|
||||
8 react 1 -99 0 8 8.48037 -2.7668 -5.3990e+00 -8.4804e+00 -5.0859e+00 0.0000e+00 0.0000e+00 1.7143e-06 1.7143e-06 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 -0.1091 -0.0000 -1.3266 -5.1114
|
||||
8 react 1 -99 0 9 8.77515 8.98491 -5.0983e+00 -8.7752e+00 -4.8164e+00 0.0000e+00 0.0000e+00 3.6971e-06 3.6971e-06 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 -0.3786 -0.0000 -0.7312 -3.9771
|
||||
8 react 1 -99 0 9 8.77515 8.98491 -5.0983e+00 -8.7752e+00 -4.8164e+00 0.0000e+00 0.0000e+00 3.6971e-06 3.6971e-06 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 -0.3786 0.0000 -0.7312 -3.9771
|
||||
8 react 1 -99 0 10 9.03134 -3.37462 -4.7979e+00 -9.0313e+00 -4.5510e+00 0.0000e+00 0.0000e+00 7.7032e-06 7.7032e-06 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 -0.6440 0.0000 -0.1746 -2.8896
|
||||
8 react 1 -99 0 11 9.07064 8.46954 -4.6626e+00 -9.0706e+00 -4.2614e+00 0.0000e+00 0.0000e+00 6.2948e-07 6.2948e-07 1.0136e-05 1.0136e-05 0.0000e+00 0.0000e+00 -0.9336 -0.0000 0.0000 -2.1358
|
||||
8 react 1 -99 0 12 9.22303 8.39574 -4.3726e+00 -9.2230e+00 -3.9885e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 2.1273e-05 2.1273e-05 0.0000e+00 0.0000e+00 -1.3540 -0.2950 0.0000 -1.2950
|
||||
8 react 1 -99 0 13 9.30283 -3.5148 -4.1800e+00 -9.3028e+00 -3.8123e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 3.3294e-05 3.3294e-05 0.0000e+00 0.0000e+00 -1.6210 -0.4766 -0.0000 -0.7610
|
||||
8 react 1 -99 0 14 9.38811 8.43831 -3.9009e+00 -9.3881e+00 -3.5533e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 6.3616e-05 6.3616e-05 9.0932e-06 9.0932e-06 -2.0015 -0.7195 0.0000 0.0000
|
||||
8 react 1 -99 0 11 9.07064 8.46954 -4.6626e+00 -9.0706e+00 -4.2614e+00 0.0000e+00 0.0000e+00 6.2948e-07 6.2948e-07 1.0136e-05 1.0136e-05 0.0000e+00 0.0000e+00 -0.9336 -0.0000 -0.0000 -2.1358
|
||||
8 react 1 -99 0 12 9.22303 8.39576 -4.3726e+00 -9.2230e+00 -3.9885e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 2.1273e-05 2.1273e-05 0.0000e+00 0.0000e+00 -1.3540 -0.2950 0.0000 -1.2950
|
||||
8 react 1 -99 0 13 9.30283 -3.51489 -4.1800e+00 -9.3028e+00 -3.8123e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 3.3294e-05 3.3294e-05 0.0000e+00 0.0000e+00 -1.6210 -0.4766 0.0000 -0.7610
|
||||
8 react 1 -99 0 14 9.38811 8.43829 -3.9009e+00 -9.3881e+00 -3.5533e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 6.3616e-05 6.3616e-05 9.0932e-06 9.0932e-06 -2.0015 -0.7195 0.0000 0.0000
|
||||
|
||||
158
ex7.out
158
ex7.out
@ -163,8 +163,8 @@ Calcite 0.00 -8.48 -8.48 1.000e+01 9.997e+00 -2.519e-03
|
||||
H+ 1.172e-07 1.082e-07 -6.931 -6.966 -0.035 0.00
|
||||
OH- 1.025e-07 9.354e-08 -6.989 -7.029 -0.040 -4.05
|
||||
H2O 5.551e+01 9.999e-01 1.744 -0.000 0.000 18.07
|
||||
C(-4) 4.494e-25
|
||||
CH4 4.494e-25 4.501e-25 -24.347 -24.347 0.001 32.22
|
||||
C(-4) 4.521e-25
|
||||
CH4 4.521e-25 4.528e-25 -24.345 -24.344 0.001 32.22
|
||||
C(4) 6.124e-03
|
||||
HCO3- 4.915e-03 4.504e-03 -2.308 -2.346 -0.038 24.66
|
||||
CO2 1.094e-03 1.096e-03 -2.961 -2.960 0.001 30.26
|
||||
@ -176,10 +176,10 @@ Ca 2.519e-03
|
||||
CaHCO3+ 1.063e-04 9.750e-05 -3.974 -4.011 -0.037 9.71
|
||||
CaCO3 5.555e-06 5.565e-06 -5.255 -5.255 0.001 -14.60
|
||||
CaOH+ 2.847e-09 2.602e-09 -8.546 -8.585 -0.039 (0)
|
||||
H(0) 5.083e-15
|
||||
H2 2.541e-15 2.546e-15 -14.595 -14.594 0.001 28.61
|
||||
H(0) 5.090e-15
|
||||
H2 2.545e-15 2.549e-15 -14.594 -14.594 0.001 28.61
|
||||
O(0) 0.000e+00
|
||||
O2 0.000e+00 0.000e+00 -63.192 -63.192 0.001 30.40
|
||||
O2 0.000e+00 0.000e+00 -63.194 -63.193 0.001 30.40
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
|
||||
@ -187,7 +187,7 @@ O(0) 0.000e+00
|
||||
|
||||
Aragonite -0.14 -8.48 -8.34 CaCO3
|
||||
Calcite 0.00 -8.48 -8.48 CaCO3
|
||||
CH4(g) -21.50 -24.35 -2.84 CH4
|
||||
CH4(g) -21.50 -24.34 -2.84 CH4
|
||||
CO2(g) -1.50 -2.96 -1.46 CO2 Pressure 0.0 atm, phi 1.000.
|
||||
H2(g) -11.49 -14.59 -3.10 H2
|
||||
H2O(g) -1.50 -0.00 1.50 H2O
|
||||
@ -300,7 +300,7 @@ Reaction 1.
|
||||
Pressure (atm) = 1.10
|
||||
Electrical balance (eq) = -1.216e-09
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
|
||||
Iterations = 12
|
||||
Iterations = 10
|
||||
Total H = 1.110146e+02
|
||||
Total O = 5.552198e+01
|
||||
|
||||
@ -319,7 +319,7 @@ C(4) 6.624e-03
|
||||
CO2 1.522e-03 1.525e-03 -2.818 -2.817 0.001 30.26
|
||||
CaHCO3+ 1.077e-04 9.876e-05 -3.968 -4.005 -0.038 9.71
|
||||
CaCO3 4.103e-06 4.110e-06 -5.387 -5.386 0.001 -14.60
|
||||
CO3-2 2.051e-06 1.444e-06 -5.688 -5.840 -0.152 -4.15
|
||||
CO3-2 2.051e-06 1.444e-06 -5.688 -5.840 -0.152 -4.16
|
||||
Ca 2.519e-03
|
||||
Ca+2 2.407e-03 1.694e-03 -2.618 -2.771 -0.153 -17.97
|
||||
CaHCO3+ 1.077e-04 9.876e-05 -3.968 -4.005 -0.038 9.71
|
||||
@ -330,8 +330,8 @@ H(0) 8.547e-10
|
||||
N(-3) 6.986e-05
|
||||
NH4+ 6.962e-05 6.335e-05 -4.157 -4.198 -0.041 (0)
|
||||
NH3 2.429e-07 2.433e-07 -6.615 -6.614 0.001 (0)
|
||||
N(0) 1.388e-07
|
||||
N2 6.938e-08 6.950e-08 -7.159 -7.158 0.001 29.29
|
||||
N(0) 1.387e-07
|
||||
N2 6.937e-08 6.949e-08 -7.159 -7.158 0.001 29.29
|
||||
N(3) 0.000e+00
|
||||
NO2- 0.000e+00 0.000e+00 -62.352 -62.393 -0.040 25.02
|
||||
N(5) 0.000e+00
|
||||
@ -402,7 +402,7 @@ Reaction 1.
|
||||
Pressure (atm) = 1.10
|
||||
Electrical balance (eq) = -1.216e-09
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
|
||||
Iterations = 13
|
||||
Iterations = 17
|
||||
Total H = 1.110169e+02
|
||||
Total O = 5.552298e+01
|
||||
|
||||
@ -432,7 +432,7 @@ H(0) 9.552e-10
|
||||
N(-3) 1.398e-04
|
||||
NH4+ 1.394e-04 1.268e-04 -3.856 -3.897 -0.041 (0)
|
||||
NH3 3.844e-07 3.850e-07 -6.415 -6.414 0.001 (0)
|
||||
N(0) 2.490e-07
|
||||
N(0) 2.489e-07
|
||||
N2 1.245e-07 1.247e-07 -6.905 -6.904 0.001 29.29
|
||||
N(3) 0.000e+00
|
||||
NO2- 0.000e+00 0.000e+00 -62.400 -62.440 -0.041 25.02
|
||||
@ -492,7 +492,7 @@ Component log P P phi Initial Final Delta
|
||||
CH4(g) -0.00 9.991e-01 0.998 0.000e+00 7.201e-05 7.201e-05
|
||||
CO2(g) -1.16 6.906e-02 0.994 0.000e+00 4.977e-06 4.977e-06
|
||||
H2O(g) -1.50 3.157e-02 0.995 0.000e+00 2.275e-06 2.275e-06
|
||||
N2(g) -3.59 2.586e-04 1.000 0.000e+00 1.864e-08 1.864e-08
|
||||
N2(g) -3.59 2.585e-04 1.000 0.000e+00 1.863e-08 1.863e-08
|
||||
|
||||
-----------------------------Solution composition------------------------------
|
||||
|
||||
@ -518,7 +518,7 @@ N2(g) -3.59 2.586e-04 1.000 0.000e+00 1.864e-08 1.864e-08
|
||||
Pressure (atm) = 1.10
|
||||
Electrical balance (eq) = -1.216e-09
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
|
||||
Iterations = 17
|
||||
Iterations = 20
|
||||
Total H = 1.110188e+02
|
||||
Total O = 5.552397e+01
|
||||
|
||||
@ -535,12 +535,12 @@ C(-4) 1.428e-03
|
||||
C(4) 7.619e-03
|
||||
HCO3- 5.129e-03 4.695e-03 -2.290 -2.328 -0.038 24.67
|
||||
CO2 2.375e-03 2.380e-03 -2.624 -2.624 0.001 30.26
|
||||
CaHCO3+ 1.103e-04 1.011e-04 -3.957 -3.995 -0.038 9.71
|
||||
CaHCO3+ 1.103e-04 1.011e-04 -3.957 -3.995 -0.038 9.72
|
||||
CaCO3 2.766e-06 2.771e-06 -5.558 -5.557 0.001 -14.60
|
||||
CO3-2 1.391e-06 9.770e-07 -5.857 -6.010 -0.153 -4.15
|
||||
Ca 2.519e-03
|
||||
Ca+2 2.406e-03 1.688e-03 -2.619 -2.773 -0.154 -17.96
|
||||
CaHCO3+ 1.103e-04 1.011e-04 -3.957 -3.995 -0.038 9.71
|
||||
CaHCO3+ 1.103e-04 1.011e-04 -3.957 -3.995 -0.038 9.72
|
||||
CaCO3 2.766e-06 2.771e-06 -5.558 -5.557 0.001 -14.60
|
||||
CaOH+ 1.362e-09 1.243e-09 -8.866 -8.906 -0.040 (0)
|
||||
H(0) 9.940e-10
|
||||
@ -608,7 +608,7 @@ Component log P P phi Initial Final Delta
|
||||
CH4(g) -0.01 9.877e-01 0.998 0.000e+00 5.885e-04 5.885e-04
|
||||
CO2(g) -1.10 8.032e-02 0.994 0.000e+00 4.786e-05 4.786e-05
|
||||
H2O(g) -1.50 3.157e-02 0.995 0.000e+00 1.881e-05 1.881e-05
|
||||
N2(g) -3.41 3.926e-04 1.000 0.000e+00 2.340e-07 2.340e-07
|
||||
N2(g) -3.41 3.926e-04 1.000 0.000e+00 2.339e-07 2.339e-07
|
||||
|
||||
-----------------------------Solution composition------------------------------
|
||||
|
||||
@ -634,7 +634,7 @@ N2(g) -3.41 3.926e-04 1.000 0.000e+00 2.340e-07 2.340e-07
|
||||
Pressure (atm) = 1.10
|
||||
Electrical balance (eq) = -1.216e-09
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
|
||||
Iterations = 17
|
||||
Iterations = 20
|
||||
Total H = 1.110189e+02
|
||||
Total O = 5.552487e+01
|
||||
|
||||
@ -664,8 +664,8 @@ H(0) 9.544e-10
|
||||
N(-3) 2.790e-04
|
||||
NH4+ 2.785e-04 2.531e-04 -3.555 -3.597 -0.042 (0)
|
||||
NH3 5.565e-07 5.574e-07 -6.255 -6.254 0.001 (0)
|
||||
N(0) 5.230e-07
|
||||
N2 2.615e-07 2.620e-07 -6.583 -6.582 0.001 29.29
|
||||
N(0) 5.229e-07
|
||||
N2 2.615e-07 2.619e-07 -6.583 -6.582 0.001 29.29
|
||||
N(3) 0.000e+00
|
||||
NO2- 0.000e+00 0.000e+00 -62.377 -62.418 -0.041 25.02
|
||||
N(5) 0.000e+00
|
||||
@ -750,7 +750,7 @@ N2(g) -2.98 1.042e-03 1.000 0.000e+00 2.922e-06 2.922e-06
|
||||
Pressure (atm) = 1.10
|
||||
Electrical balance (eq) = -1.216e-09
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
|
||||
Iterations = 17
|
||||
Iterations = 21
|
||||
Total H = 1.110193e+02
|
||||
Total O = 5.552821e+01
|
||||
|
||||
@ -781,7 +781,7 @@ N(-3) 5.528e-04
|
||||
NH4+ 5.520e-04 5.009e-04 -3.258 -3.300 -0.042 (0)
|
||||
NH3 7.626e-07 7.640e-07 -6.118 -6.117 0.001 (0)
|
||||
N(0) 1.388e-06
|
||||
N2 6.940e-07 6.952e-07 -6.159 -6.158 0.001 29.29
|
||||
N2 6.939e-07 6.952e-07 -6.159 -6.158 0.001 29.29
|
||||
N(3) 0.000e+00
|
||||
NO2- 0.000e+00 0.000e+00 -62.249 -62.291 -0.042 25.02
|
||||
N(5) 0.000e+00
|
||||
@ -840,7 +840,7 @@ Component log P P phi Initial Final Delta
|
||||
CH4(g) -0.06 8.757e-01 0.998 0.000e+00 6.766e-03 6.766e-03
|
||||
CO2(g) -0.72 1.899e-01 0.994 0.000e+00 1.468e-03 1.468e-03
|
||||
H2O(g) -1.50 3.159e-02 0.994 0.000e+00 2.441e-04 2.441e-04
|
||||
N2(g) -2.55 2.827e-03 1.000 0.000e+00 2.185e-05 2.185e-05
|
||||
N2(g) -2.55 2.827e-03 1.000 0.000e+00 2.184e-05 2.184e-05
|
||||
|
||||
-----------------------------Solution composition------------------------------
|
||||
|
||||
@ -866,7 +866,7 @@ N2(g) -2.55 2.827e-03 1.000 0.000e+00 2.185e-05 2.185e-05
|
||||
Pressure (atm) = 1.10
|
||||
Electrical balance (eq) = -1.216e-09
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
|
||||
Iterations = 18
|
||||
Iterations = 22
|
||||
Total H = 1.110202e+02
|
||||
Total O = 5.553380e+01
|
||||
|
||||
@ -894,10 +894,10 @@ Ca 2.519e-03
|
||||
H(0) 7.467e-10
|
||||
H2 3.734e-10 3.741e-10 -9.428 -9.427 0.001 28.61
|
||||
N(-3) 1.073e-03
|
||||
NH4+ 1.072e-03 9.696e-04 -2.970 -3.013 -0.043 (0)
|
||||
NH4+ 1.072e-03 9.697e-04 -2.970 -3.013 -0.043 (0)
|
||||
NH3 1.033e-06 1.035e-06 -5.986 -5.985 0.001 (0)
|
||||
N(0) 3.766e-06
|
||||
N2 1.883e-06 1.887e-06 -5.725 -5.724 0.001 29.29
|
||||
N2 1.883e-06 1.886e-06 -5.725 -5.724 0.001 29.29
|
||||
N(3) 0.000e+00
|
||||
NO2- 0.000e+00 0.000e+00 -62.101 -62.144 -0.043 25.02
|
||||
N(5) 0.000e+00
|
||||
@ -956,7 +956,7 @@ Component log P P phi Initial Final Delta
|
||||
CH4(g) -0.11 7.800e-01 0.998 0.000e+00 1.500e-02 1.500e-02
|
||||
CO2(g) -0.55 2.806e-01 0.994 0.000e+00 5.397e-03 5.397e-03
|
||||
H2O(g) -1.50 3.161e-02 0.994 0.000e+00 6.079e-04 6.079e-04
|
||||
N2(g) -2.11 7.836e-03 1.000 0.000e+00 1.507e-04 1.507e-04
|
||||
N2(g) -2.11 7.835e-03 1.000 0.000e+00 1.507e-04 1.507e-04
|
||||
|
||||
-----------------------------Solution composition------------------------------
|
||||
|
||||
@ -976,13 +976,13 @@ N2(g) -2.11 7.836e-03 1.000 0.000e+00 1.507e-04 1.507e-04
|
||||
Activity of water = 1.000
|
||||
Ionic strength = 9.201e-03
|
||||
Mass of water (kg) = 9.999e-01
|
||||
Total alkalinity (eq/kg) = 6.966e-03
|
||||
Total alkalinity (eq/kg) = 6.967e-03
|
||||
Total CO2 (mol/kg) = 1.661e-02
|
||||
Temperature (deg C) = 25.00
|
||||
Pressure (atm) = 1.10
|
||||
Electrical balance (eq) = -1.216e-09
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
|
||||
Iterations = 19
|
||||
Iterations = 22
|
||||
Total H = 1.110219e+02
|
||||
Total O = 5.554158e+01
|
||||
|
||||
@ -991,7 +991,7 @@ N2(g) -2.11 7.836e-03 1.000 0.000e+00 1.507e-04 1.507e-04
|
||||
Log Log Log mole V
|
||||
Species Molality Activity Molality Activity Gamma cm3/mol
|
||||
|
||||
H+ 7.574e-07 6.938e-07 -6.121 -6.159 -0.038 0.00
|
||||
H+ 7.574e-07 6.937e-07 -6.121 -6.159 -0.038 0.00
|
||||
OH- 1.614e-08 1.459e-08 -7.792 -7.836 -0.044 -4.04
|
||||
H2O 5.551e+01 9.996e-01 1.744 -0.000 0.000 18.07
|
||||
C(-4) 1.115e-03
|
||||
@ -1001,7 +1001,7 @@ C(4) 1.661e-02
|
||||
HCO3- 6.822e-03 6.196e-03 -2.166 -2.208 -0.042 24.68
|
||||
CaHCO3+ 1.405e-04 1.278e-04 -3.852 -3.894 -0.041 9.72
|
||||
CaCO3 1.135e-06 1.137e-06 -5.945 -5.944 0.001 -14.60
|
||||
CO3-2 6.156e-07 4.189e-07 -6.211 -6.378 -0.167 -4.12
|
||||
CO3-2 6.156e-07 4.189e-07 -6.211 -6.378 -0.167 -4.11
|
||||
Ca 2.519e-03
|
||||
Ca+2 2.377e-03 1.617e-03 -2.624 -2.791 -0.168 -17.94
|
||||
CaHCO3+ 1.405e-04 1.278e-04 -3.852 -3.894 -0.041 9.72
|
||||
@ -1013,7 +1013,7 @@ N(-3) 1.928e-03
|
||||
NH4+ 1.927e-03 1.736e-03 -2.715 -2.760 -0.045 (0)
|
||||
NH3 1.423e-06 1.426e-06 -5.847 -5.846 0.001 (0)
|
||||
N(0) 1.044e-05
|
||||
N2 5.218e-06 5.229e-06 -5.282 -5.282 0.001 29.29
|
||||
N2 5.218e-06 5.229e-06 -5.283 -5.282 0.001 29.29
|
||||
N(3) 0.000e+00
|
||||
NO2- 0.000e+00 0.000e+00 -61.910 -61.954 -0.045 25.03
|
||||
N(5) 0.000e+00
|
||||
@ -1072,7 +1072,7 @@ Component log P P phi Initial Final Delta
|
||||
CH4(g) -0.17 6.838e-01 0.998 0.000e+00 3.163e-02 3.163e-02
|
||||
CO2(g) -0.43 3.674e-01 0.994 0.000e+00 1.699e-02 1.699e-02
|
||||
H2O(g) -1.50 3.162e-02 0.993 0.000e+00 1.463e-03 1.463e-03
|
||||
N2(g) -1.76 1.724e-02 1.000 0.000e+00 7.973e-04 7.973e-04
|
||||
N2(g) -1.76 1.723e-02 1.000 0.000e+00 7.972e-04 7.972e-04
|
||||
|
||||
-----------------------------Solution composition------------------------------
|
||||
|
||||
@ -1080,7 +1080,7 @@ N2(g) -1.76 1.724e-02 1.000 0.000e+00 7.973e-04 7.973e-04
|
||||
|
||||
C 2.150e-02 2.150e-02
|
||||
Ca 2.519e-03 2.519e-03
|
||||
N 2.886e-03 2.885e-03
|
||||
N 2.886e-03 2.886e-03
|
||||
|
||||
----------------------------Description of solution----------------------------
|
||||
|
||||
@ -1098,7 +1098,7 @@ N2(g) -1.76 1.724e-02 1.000 0.000e+00 7.973e-04 7.973e-04
|
||||
Pressure (atm) = 1.10
|
||||
Electrical balance (eq) = -1.216e-09
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
|
||||
Iterations = 24
|
||||
Iterations = 20
|
||||
Total H = 1.110244e+02
|
||||
Total O = 5.554953e+01
|
||||
|
||||
@ -1127,7 +1127,7 @@ H(0) 5.949e-10
|
||||
H2 2.975e-10 2.982e-10 -9.527 -9.526 0.001 28.61
|
||||
N(-3) 2.863e-03
|
||||
NH4+ 2.861e-03 2.565e-03 -2.543 -2.591 -0.047 (0)
|
||||
NH3 1.815e-06 1.819e-06 -5.741 -5.740 0.001 (0)
|
||||
NH3 1.815e-06 1.820e-06 -5.741 -5.740 0.001 (0)
|
||||
N(0) 2.295e-05
|
||||
N2 1.148e-05 1.150e-05 -4.940 -4.939 0.001 29.29
|
||||
N(3) 0.000e+00
|
||||
@ -1208,13 +1208,13 @@ N2(g) -1.59 2.565e-02 1.001 0.000e+00 2.636e-03 2.636e-03
|
||||
Activity of water = 0.999
|
||||
Ionic strength = 1.067e-02
|
||||
Mass of water (kg) = 9.999e-01
|
||||
Total alkalinity (eq/kg) = 8.481e-03
|
||||
Total alkalinity (eq/kg) = 8.482e-03
|
||||
Total CO2 (mol/kg) = 2.305e-02
|
||||
Temperature (deg C) = 25.00
|
||||
Pressure (atm) = 1.10
|
||||
Electrical balance (eq) = -1.216e-09
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
|
||||
Iterations = 23
|
||||
Iterations = 20
|
||||
Total H = 1.110278e+02
|
||||
Total O = 5.555556e+01
|
||||
|
||||
@ -1312,7 +1312,7 @@ N2(g) -1.51 3.083e-02 1.001 0.000e+00 6.860e-03 6.860e-03
|
||||
|
||||
C 2.528e-02 2.528e-02
|
||||
Ca 2.519e-03 2.519e-03
|
||||
N 3.780e-03 3.780e-03
|
||||
N 3.781e-03 3.780e-03
|
||||
|
||||
----------------------------Description of solution----------------------------
|
||||
|
||||
@ -1324,13 +1324,13 @@ N2(g) -1.51 3.083e-02 1.001 0.000e+00 6.860e-03 6.860e-03
|
||||
Activity of water = 0.999
|
||||
Ionic strength = 1.095e-02
|
||||
Mass of water (kg) = 9.999e-01
|
||||
Total alkalinity (eq/kg) = 8.777e-03
|
||||
Total alkalinity (eq/kg) = 8.778e-03
|
||||
Total CO2 (mol/kg) = 2.445e-02
|
||||
Temperature (deg C) = 25.00
|
||||
Pressure (atm) = 1.10
|
||||
Electrical balance (eq) = -1.216e-09
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
|
||||
Iterations = 21
|
||||
Iterations = 20
|
||||
Total H = 1.110335e+02
|
||||
Total O = 5.556092e+01
|
||||
|
||||
@ -1357,8 +1357,8 @@ Ca 2.519e-03
|
||||
CaOH+ 3.178e-10 2.854e-10 -9.498 -9.545 -0.047 (0)
|
||||
H(0) 5.410e-10
|
||||
H2 2.705e-10 2.712e-10 -9.568 -9.567 0.001 28.61
|
||||
N(-3) 3.739e-03
|
||||
NH4+ 3.737e-03 3.337e-03 -2.427 -2.477 -0.049 (0)
|
||||
N(-3) 3.740e-03
|
||||
NH4+ 3.737e-03 3.338e-03 -2.427 -2.477 -0.049 (0)
|
||||
NH3 2.106e-06 2.111e-06 -5.677 -5.675 0.001 (0)
|
||||
N(0) 4.106e-05
|
||||
N2 2.053e-05 2.058e-05 -4.688 -4.687 0.001 29.29
|
||||
@ -1440,13 +1440,13 @@ N2(g) -1.48 3.349e-02 1.001 0.000e+00 1.554e-02 1.554e-02
|
||||
Activity of water = 0.999
|
||||
Ionic strength = 1.109e-02
|
||||
Mass of water (kg) = 1.000e+00
|
||||
Total alkalinity (eq/kg) = 8.915e-03
|
||||
Total alkalinity (eq/kg) = 8.916e-03
|
||||
Total CO2 (mol/kg) = 2.515e-02
|
||||
Temperature (deg C) = 25.00
|
||||
Pressure (atm) = 1.10
|
||||
Electrical balance (eq) = -1.216e-09
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
|
||||
Iterations = 26
|
||||
Iterations = 25
|
||||
Total H = 1.110446e+02
|
||||
Total O = 5.556770e+01
|
||||
|
||||
@ -1465,7 +1465,7 @@ C(4) 2.515e-02
|
||||
HCO3- 8.739e-03 7.874e-03 -2.059 -2.104 -0.045 24.70
|
||||
CaHCO3+ 1.720e-04 1.552e-04 -3.765 -3.809 -0.044 9.73
|
||||
CaCO3 1.040e-06 1.043e-06 -5.983 -5.982 0.001 -14.60
|
||||
CO3-2 6.095e-07 4.018e-07 -6.215 -6.396 -0.181 -4.08
|
||||
CO3-2 6.096e-07 4.018e-07 -6.215 -6.396 -0.181 -4.08
|
||||
Ca 2.519e-03
|
||||
Ca+2 2.346e-03 1.545e-03 -2.630 -2.811 -0.181 -17.91
|
||||
CaHCO3+ 1.720e-04 1.552e-04 -3.765 -3.809 -0.044 9.73
|
||||
@ -1475,7 +1475,7 @@ H(0) 5.318e-10
|
||||
H2 2.659e-10 2.666e-10 -9.575 -9.574 0.001 28.61
|
||||
N(-3) 3.878e-03
|
||||
NH4+ 3.876e-03 3.459e-03 -2.412 -2.461 -0.049 (0)
|
||||
NH3 2.139e-06 2.144e-06 -5.670 -5.669 0.001 (0)
|
||||
NH3 2.139e-06 2.145e-06 -5.670 -5.669 0.001 (0)
|
||||
N(0) 4.460e-05
|
||||
N2 2.230e-05 2.236e-05 -4.652 -4.651 0.001 29.29
|
||||
N(3) 0.000e+00
|
||||
@ -1544,7 +1544,7 @@ N2(g) -1.46 3.481e-02 1.001 0.000e+00 3.300e-02 3.300e-02
|
||||
|
||||
C 2.629e-02 2.629e-02
|
||||
Ca 2.518e-03 2.519e-03
|
||||
N 3.991e-03 3.991e-03
|
||||
N 3.991e-03 3.992e-03
|
||||
|
||||
----------------------------Description of solution----------------------------
|
||||
|
||||
@ -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 = 25
|
||||
Iterations = 23
|
||||
Total H = 1.110665e+02
|
||||
Total O = 5.557929e+01
|
||||
|
||||
@ -1591,7 +1591,7 @@ H(0) 5.273e-10
|
||||
H2 2.636e-10 2.643e-10 -9.579 -9.578 0.001 28.61
|
||||
N(-3) 3.944e-03
|
||||
NH4+ 3.942e-03 3.517e-03 -2.404 -2.454 -0.050 (0)
|
||||
NH3 2.153e-06 2.158e-06 -5.667 -5.666 0.001 (0)
|
||||
NH3 2.153e-06 2.159e-06 -5.667 -5.666 0.001 (0)
|
||||
N(0) 4.636e-05
|
||||
N2 2.318e-05 2.324e-05 -4.635 -4.634 0.001 29.29
|
||||
N(3) 0.000e+00
|
||||
@ -1669,7 +1669,7 @@ Total pressure: 0.06 atmospheres
|
||||
----------------------------------
|
||||
Component log P P Initial Final Delta
|
||||
|
||||
CH4(g) -21.50 3.135e-22 2.972e-22 2.972e-22 0.000e+00
|
||||
CH4(g) -21.50 3.154e-22 2.990e-22 2.990e-22 0.000e+00
|
||||
CO2(g) -1.50 3.162e-02 2.997e-02 2.997e-02 0.000e+00
|
||||
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
|
||||
@ -1715,7 +1715,7 @@ Total pressure: 0.06 atmospheres (Peng-Robinson calculation)
|
||||
----------------------------------
|
||||
Component log P P phi Initial Final Delta
|
||||
|
||||
CH4(g) -3.26 5.529e-04 1.000 2.972e-22 5.243e-04 5.243e-04
|
||||
CH4(g) -3.26 5.529e-04 1.000 2.990e-22 5.243e-04 5.243e-04
|
||||
CO2(g) -1.49 3.208e-02 1.000 2.997e-02 3.042e-02 4.560e-04
|
||||
H2O(g) -1.50 3.144e-02 0.999 2.977e-02 2.982e-02 4.337e-05
|
||||
N2(g) -4.45 3.529e-05 1.000 0.000e+00 3.347e-05 3.347e-05
|
||||
@ -1742,7 +1742,7 @@ N2(g) -4.45 3.529e-05 1.000 0.000e+00 3.347e-05 3.347e-05
|
||||
Total CO2 (mol/kg) = 6.142e-03
|
||||
Temperature (deg C) = 25.00
|
||||
Pressure (atm) = 0.06
|
||||
Electrical balance (eq) = -1.216e-09
|
||||
Electrical balance (eq) = -1.217e-09
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
|
||||
Iterations = 24
|
||||
Total H = 1.110125e+02
|
||||
@ -1831,7 +1831,7 @@ Total pressure: 0.07 atmospheres (Peng-Robinson calculation)
|
||||
----------------------------------
|
||||
Component log P P phi Initial Final Delta
|
||||
|
||||
CH4(g) -2.96 1.106e-03 1.000 2.972e-22 1.049e-03 1.049e-03
|
||||
CH4(g) -2.96 1.106e-03 1.000 2.990e-22 1.049e-03 1.049e-03
|
||||
CO2(g) -1.49 3.256e-02 1.000 2.997e-02 3.088e-02 9.115e-04
|
||||
H2O(g) -1.50 3.144e-02 0.999 2.977e-02 2.982e-02 4.367e-05
|
||||
N2(g) -4.15 7.081e-05 1.000 0.000e+00 6.716e-05 6.716e-05
|
||||
@ -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 = 29
|
||||
Iterations = 27
|
||||
Total H = 1.110126e+02
|
||||
Total O = 5.552112e+01
|
||||
|
||||
@ -1947,7 +1947,7 @@ Total pressure: 0.07 atmospheres (Peng-Robinson calculation)
|
||||
----------------------------------
|
||||
Component log P P phi Initial Final Delta
|
||||
|
||||
CH4(g) -2.78 1.659e-03 1.000 2.972e-22 1.573e-03 1.573e-03
|
||||
CH4(g) -2.78 1.659e-03 1.000 2.990e-22 1.573e-03 1.573e-03
|
||||
CO2(g) -1.48 3.304e-02 1.000 2.997e-02 3.134e-02 1.367e-03
|
||||
H2O(g) -1.50 3.144e-02 0.999 2.977e-02 2.982e-02 4.397e-05
|
||||
N2(g) -3.97 1.064e-04 1.000 0.000e+00 1.009e-04 1.009e-04
|
||||
@ -2063,7 +2063,7 @@ Total pressure: 0.07 atmospheres (Peng-Robinson calculation)
|
||||
----------------------------------
|
||||
Component log P P phi Initial Final Delta
|
||||
|
||||
CH4(g) -2.66 2.212e-03 1.000 2.972e-22 2.098e-03 2.098e-03
|
||||
CH4(g) -2.66 2.212e-03 1.000 2.990e-22 2.098e-03 2.098e-03
|
||||
CO2(g) -1.47 3.352e-02 1.000 2.997e-02 3.179e-02 1.823e-03
|
||||
H2O(g) -1.50 3.144e-02 0.999 2.977e-02 2.982e-02 4.427e-05
|
||||
N2(g) -3.85 1.420e-04 1.000 0.000e+00 1.347e-04 1.347e-04
|
||||
@ -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 = 27
|
||||
Iterations = 26
|
||||
Total H = 1.110128e+02
|
||||
Total O = 5.552129e+01
|
||||
|
||||
@ -2179,7 +2179,7 @@ Total pressure: 0.07 atmospheres (Peng-Robinson calculation)
|
||||
----------------------------------
|
||||
Component log P P phi Initial Final Delta
|
||||
|
||||
CH4(g) -2.35 4.425e-03 1.000 2.972e-22 4.196e-03 4.196e-03
|
||||
CH4(g) -2.35 4.425e-03 1.000 2.990e-22 4.196e-03 4.196e-03
|
||||
CO2(g) -1.45 3.544e-02 1.000 2.997e-02 3.361e-02 3.645e-03
|
||||
H2O(g) -1.50 3.144e-02 0.999 2.977e-02 2.982e-02 4.547e-05
|
||||
N2(g) -3.55 2.846e-04 1.000 0.000e+00 2.699e-04 2.699e-04
|
||||
@ -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 = 26
|
||||
Iterations = 25
|
||||
Total H = 1.110132e+02
|
||||
Total O = 5.552165e+01
|
||||
|
||||
@ -2295,7 +2295,7 @@ Total pressure: 0.08 atmospheres (Peng-Robinson calculation)
|
||||
----------------------------------
|
||||
Component log P P phi Initial Final Delta
|
||||
|
||||
CH4(g) -2.05 8.850e-03 1.000 2.972e-22 8.393e-03 8.393e-03
|
||||
CH4(g) -2.05 8.850e-03 1.000 2.990e-22 8.393e-03 8.393e-03
|
||||
CO2(g) -1.41 3.929e-02 1.000 2.997e-02 3.726e-02 7.290e-03
|
||||
H2O(g) -1.50 3.145e-02 0.999 2.977e-02 2.982e-02 4.787e-05
|
||||
N2(g) -3.24 5.697e-04 1.000 0.000e+00 5.403e-04 5.403e-04
|
||||
@ -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 = 25
|
||||
Iterations = 28
|
||||
Total H = 1.110141e+02
|
||||
Total O = 5.552236e+01
|
||||
|
||||
@ -2411,7 +2411,7 @@ Total pressure: 0.10 atmospheres (Peng-Robinson calculation)
|
||||
----------------------------------
|
||||
Component log P P phi Initial Final Delta
|
||||
|
||||
CH4(g) -1.75 1.770e-02 1.000 2.972e-22 1.679e-02 1.679e-02
|
||||
CH4(g) -1.75 1.770e-02 1.000 2.990e-22 1.679e-02 1.679e-02
|
||||
CO2(g) -1.33 4.697e-02 0.999 2.997e-02 4.455e-02 1.458e-02
|
||||
H2O(g) -1.50 3.145e-02 0.999 2.977e-02 2.983e-02 5.267e-05
|
||||
N2(g) -2.94 1.139e-03 1.000 0.000e+00 1.080e-03 1.080e-03
|
||||
@ -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 = 24
|
||||
Iterations = 25
|
||||
Total H = 1.110159e+02
|
||||
Total O = 5.552377e+01
|
||||
|
||||
@ -2527,7 +2527,7 @@ Total pressure: 0.13 atmospheres (Peng-Robinson calculation)
|
||||
----------------------------------
|
||||
Component log P P phi Initial Final Delta
|
||||
|
||||
CH4(g) -1.45 3.539e-02 1.000 2.972e-22 3.357e-02 3.357e-02
|
||||
CH4(g) -1.45 3.539e-02 1.000 2.990e-22 3.357e-02 3.357e-02
|
||||
CO2(g) -1.21 6.233e-02 0.999 2.997e-02 5.912e-02 2.915e-02
|
||||
H2O(g) -1.50 3.146e-02 0.999 2.977e-02 2.984e-02 6.225e-05
|
||||
N2(g) -2.64 2.271e-03 1.000 0.000e+00 2.154e-03 2.154e-03
|
||||
@ -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 = 25
|
||||
Iterations = 27
|
||||
Total H = 1.110195e+02
|
||||
Total O = 5.552662e+01
|
||||
|
||||
@ -2643,7 +2643,7 @@ Total pressure: 0.20 atmospheres (Peng-Robinson calculation)
|
||||
----------------------------------
|
||||
Component log P P phi Initial Final Delta
|
||||
|
||||
CH4(g) -1.16 6.909e-02 1.000 2.972e-22 6.554e-02 6.554e-02
|
||||
CH4(g) -1.16 6.909e-02 1.000 2.990e-22 6.554e-02 6.554e-02
|
||||
CO2(g) -1.04 9.158e-02 0.999 2.997e-02 8.688e-02 5.691e-02
|
||||
H2O(g) -1.50 3.147e-02 0.998 2.977e-02 2.986e-02 8.048e-05
|
||||
N2(g) -2.36 4.414e-03 1.000 0.000e+00 4.187e-03 4.187e-03
|
||||
@ -2759,7 +2759,7 @@ Total pressure: 0.33 atmospheres (Peng-Robinson calculation)
|
||||
----------------------------------
|
||||
Component log P P phi Initial Final Delta
|
||||
|
||||
CH4(g) -0.86 1.381e-01 0.999 2.972e-22 1.310e-01 1.310e-01
|
||||
CH4(g) -0.86 1.381e-01 0.999 2.990e-22 1.310e-01 1.310e-01
|
||||
CO2(g) -0.82 1.514e-01 0.998 2.997e-02 1.437e-01 1.138e-01
|
||||
H2O(g) -1.50 3.150e-02 0.997 2.977e-02 2.989e-02 1.178e-04
|
||||
N2(g) -2.06 8.764e-03 1.000 0.000e+00 8.318e-03 8.318e-03
|
||||
@ -2788,7 +2788,7 @@ N2(g) -2.06 8.764e-03 1.000 0.000e+00 8.318e-03 8.318e-03
|
||||
Pressure (atm) = 0.33
|
||||
Electrical balance (eq) = -1.216e-09
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
|
||||
Iterations = 29
|
||||
Iterations = 30
|
||||
Total H = 1.110405e+02
|
||||
Total O = 5.554334e+01
|
||||
|
||||
@ -2875,7 +2875,7 @@ Total pressure: 0.60 atmospheres (Peng-Robinson calculation)
|
||||
----------------------------------
|
||||
Component log P P phi Initial Final Delta
|
||||
|
||||
CH4(g) -0.56 2.758e-01 0.999 2.972e-22 2.620e-01 2.620e-01
|
||||
CH4(g) -0.56 2.758e-01 0.999 2.990e-22 2.620e-01 2.620e-01
|
||||
CO2(g) -0.57 2.709e-01 0.997 2.997e-02 2.574e-01 2.274e-01
|
||||
H2O(g) -1.50 3.154e-02 0.996 2.977e-02 2.997e-02 1.923e-04
|
||||
N2(g) -1.76 1.740e-02 1.000 0.000e+00 1.653e-02 1.653e-02
|
||||
@ -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 = 29
|
||||
Iterations = 32
|
||||
Total H = 1.110690e+02
|
||||
Total O = 5.556594e+01
|
||||
|
||||
@ -2991,7 +2991,7 @@ Total pressure: 1.13 atmospheres (Peng-Robinson calculation)
|
||||
----------------------------------
|
||||
Component log P P phi Initial Final Delta
|
||||
|
||||
CH4(g) -0.26 5.505e-01 0.998 2.972e-22 5.239e-01 5.239e-01
|
||||
CH4(g) -0.26 5.505e-01 0.998 2.990e-22 5.239e-01 5.239e-01
|
||||
CO2(g) -0.29 5.093e-01 0.994 2.997e-02 4.848e-01 4.548e-01
|
||||
H2O(g) -1.50 3.165e-02 0.992 2.977e-02 3.012e-02 3.446e-04
|
||||
N2(g) -1.46 3.463e-02 1.001 0.000e+00 3.296e-02 3.296e-02
|
||||
@ -3002,7 +3002,7 @@ N2(g) -1.46 3.463e-02 1.001 0.000e+00 3.296e-02 3.296e-02
|
||||
|
||||
C 2.735e-02 2.737e-02
|
||||
Ca 2.517e-03 2.519e-03
|
||||
N 4.080e-03 4.084e-03
|
||||
N 4.081e-03 4.084e-03
|
||||
|
||||
----------------------------Description of solution----------------------------
|
||||
|
||||
@ -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) = -1.230e-09
|
||||
Electrical balance (eq) = -1.228e-09
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
|
||||
Iterations = 29
|
||||
Iterations = 34
|
||||
Total H = 1.111259e+02
|
||||
Total O = 5.561103e+01
|
||||
|
||||
@ -3038,16 +3038,16 @@ C(4) 2.656e-02
|
||||
CO2 1.750e-02 1.754e-02 -1.757 -1.756 0.001 30.26
|
||||
HCO3- 8.890e-03 8.006e-03 -2.051 -2.097 -0.046 24.70
|
||||
CaHCO3+ 1.742e-04 1.572e-04 -3.759 -3.804 -0.045 9.73
|
||||
CaCO3 9.939e-07 9.965e-07 -6.003 -6.002 0.001 -14.60
|
||||
CaCO3 9.940e-07 9.965e-07 -6.003 -6.002 0.001 -14.60
|
||||
CO3-2 5.861e-07 3.855e-07 -6.232 -6.414 -0.182 -4.07
|
||||
Ca 2.517e-03
|
||||
Ca+2 2.342e-03 1.539e-03 -2.630 -2.813 -0.182 -17.91
|
||||
CaHCO3+ 1.742e-04 1.572e-04 -3.759 -3.804 -0.045 9.73
|
||||
CaCO3 9.939e-07 9.965e-07 -6.003 -6.002 0.001 -14.60
|
||||
CaCO3 9.940e-07 9.965e-07 -6.003 -6.002 0.001 -14.60
|
||||
CaOH+ 2.921e-10 2.620e-10 -9.534 -9.582 -0.047 (0)
|
||||
H(0) 5.192e-10
|
||||
H2 2.596e-10 2.603e-10 -9.586 -9.585 0.001 28.61
|
||||
N(-3) 4.034e-03
|
||||
N(-3) 4.035e-03
|
||||
NH4+ 4.032e-03 3.596e-03 -2.394 -2.444 -0.050 (0)
|
||||
NH3 2.098e-06 2.104e-06 -5.678 -5.677 0.001 (0)
|
||||
N(0) 4.611e-05
|
||||
@ -3083,6 +3083,6 @@ Reading input data for simulation 4.
|
||||
------------------------------------
|
||||
|
||||
------------------------------
|
||||
End of Run after 0.05 Seconds.
|
||||
End of Run after 0.04 Seconds.
|
||||
------------------------------
|
||||
|
||||
|
||||
26
ex7.sel
26
ex7.sel
@ -1,27 +1,27 @@
|
||||
sim state reaction si_CO2(g) si_CH4(g) si_N2(g) si_NH3(g) pressure total mol volume g_CO2(g) g_CH4(g) g_N2(g) g_NH3(g)
|
||||
1 i_soln -99 -999.9990 -999.9990 -999.9990 -999.9990 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00
|
||||
1 react -99 -1.5001 -21.5037 -999.9990 -999.9990 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00
|
||||
1 react -99 -1.5001 -21.5011 -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
|
||||
2 react 1.0000e-03 -1.3566 -0.4572 -3.9823 -8.3839 1.1000e+00 1.0000e-25 3.0000e-27 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00
|
||||
2 react 2.0000e-03 -1.2487 -0.1562 -3.7283 -8.1845 1.1000e+00 1.0000e-25 3.0000e-27 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00
|
||||
2 react 3.0000e-03 -1.1633 -0.0015 -3.5874 -8.0880 1.1000e+00 7.9277e-05 2.3783e-06 4.9773e-06 7.2006e-05 1.8636e-08 0.0000e+00
|
||||
2 react 4.0000e-03 -1.0977 -0.0064 -3.4060 -8.0238 1.1000e+00 6.5544e-04 1.9663e-05 4.7858e-05 5.8854e-04 2.3395e-07 0.0000e+00
|
||||
2 react 8.0000e-03 -0.9166 -0.0254 -2.9821 -7.8869 1.1000e+00 3.0845e-03 9.2536e-05 3.4177e-04 2.6513e-03 2.9219e-06 0.0000e+00
|
||||
2 react 1.6000e-02 -0.7240 -0.0587 -2.5485 -7.7548 1.1000e+00 8.4999e-03 2.5500e-04 1.4676e-03 6.7663e-03 2.1847e-05 0.0000e+00
|
||||
2 react 3.2000e-02 -0.5545 -0.1090 -2.1058 -7.6159 1.1000e+00 2.1159e-02 6.3476e-04 5.3975e-03 1.5002e-02 1.5072e-04 0.0000e+00
|
||||
2 react 6.4000e-02 -0.4375 -0.1661 -1.7634 -7.5100 1.1000e+00 5.0884e-02 1.5265e-03 1.6994e-02 3.1630e-02 7.9728e-04 0.0000e+00
|
||||
2 react 1.2500e-01 -0.3752 -0.2095 -1.5908 -7.4633 1.1000e+00 1.1308e-01 3.3924e-03 4.3587e-02 6.3606e-02 2.6365e-03 0.0000e+00
|
||||
2 react 2.5000e-01 -0.3434 -0.2366 -1.5108 -7.4454 1.1000e+00 2.4474e-01 7.3422e-03 1.0151e-01 1.2933e-01 6.8599e-03 0.0000e+00
|
||||
2 react 2.0000e-03 -1.2487 -0.1562 -3.7284 -8.1845 1.1000e+00 1.0000e-25 3.0000e-27 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00
|
||||
2 react 3.0000e-03 -1.1633 -0.0015 -3.5874 -8.0880 1.1000e+00 7.9277e-05 2.3783e-06 4.9773e-06 7.2006e-05 1.8633e-08 0.0000e+00
|
||||
2 react 4.0000e-03 -1.0977 -0.0064 -3.4060 -8.0238 1.1000e+00 6.5544e-04 1.9663e-05 4.7858e-05 5.8854e-04 2.3392e-07 0.0000e+00
|
||||
2 react 8.0000e-03 -0.9166 -0.0254 -2.9821 -7.8869 1.1000e+00 3.0845e-03 9.2536e-05 3.4177e-04 2.6513e-03 2.9215e-06 0.0000e+00
|
||||
2 react 1.6000e-02 -0.7240 -0.0587 -2.5486 -7.7549 1.1000e+00 8.4999e-03 2.5500e-04 1.4676e-03 6.7663e-03 2.1844e-05 0.0000e+00
|
||||
2 react 3.2000e-02 -0.5545 -0.1090 -2.1058 -7.6159 1.1000e+00 2.1159e-02 6.3476e-04 5.3975e-03 1.5002e-02 1.5071e-04 0.0000e+00
|
||||
2 react 6.4000e-02 -0.4375 -0.1661 -1.7634 -7.5100 1.1000e+00 5.0884e-02 1.5265e-03 1.6994e-02 3.1630e-02 7.9724e-04 0.0000e+00
|
||||
2 react 1.2500e-01 -0.3752 -0.2095 -1.5908 -7.4633 1.1000e+00 1.1308e-01 3.3924e-03 4.3587e-02 6.3606e-02 2.6364e-03 0.0000e+00
|
||||
2 react 2.5000e-01 -0.3434 -0.2366 -1.5108 -7.4455 1.1000e+00 2.4474e-01 7.3422e-03 1.0151e-01 1.2933e-01 6.8598e-03 0.0000e+00
|
||||
2 react 5.0000e-01 -0.3281 -0.2511 -1.4748 -7.4387 1.1000e+00 5.1038e-01 1.5312e-02 2.1930e-01 2.6087e-01 1.5539e-02 0.0000e+00
|
||||
2 react 1.0000e+00 -0.3206 -0.2585 -1.4580 -7.4358 1.1000e+00 1.0428e+00 3.1285e-02 4.5585e-01 5.2398e-01 3.3004e-02 0.0000e+00
|
||||
3 i_gas -99 -1.5001 -21.5037 -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 6.4110e-02 6.0800e-02 1.8240e-03 3.0424e-02 5.2433e-04 3.3467e-05 0.0000e+00
|
||||
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 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 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 1.3144e-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 1.3145e-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
|
||||
|
||||
158
ex8.out
158
ex8.out
@ -486,7 +486,7 @@ Hfo_w
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = -9.667e-05
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.05
|
||||
Iterations = 20
|
||||
Iterations = 14
|
||||
Total H = 1.110122e+02
|
||||
Total O = 5.580611e+01
|
||||
|
||||
@ -502,9 +502,9 @@ H(0) 0.000e+00
|
||||
H2 0.000e+00 0.000e+00 -43.278 -43.268 0.010 28.61
|
||||
N(-3) 0.000e+00
|
||||
NH4+ 0.000e+00 0.000e+00 -52.884 -53.012 -0.128 18.17
|
||||
NH3 0.000e+00 0.000e+00 -57.016 -57.006 0.010 24.46
|
||||
NH3 0.000e+00 0.000e+00 -57.017 -57.007 0.010 24.46
|
||||
N(0) 1.111e-06
|
||||
N2 5.555e-07 5.684e-07 -6.255 -6.245 0.010 29.29
|
||||
N2 5.553e-07 5.682e-07 -6.255 -6.246 0.010 29.29
|
||||
N(3) 2.843e-13
|
||||
NO2- 2.843e-13 2.142e-13 -12.546 -12.669 -0.123 25.24
|
||||
N(5) 1.000e-01
|
||||
@ -621,7 +621,7 @@ Hfo_w
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = -8.214e-05
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.04
|
||||
Iterations = 22
|
||||
Iterations = 14
|
||||
Total H = 1.110123e+02
|
||||
Total O = 5.580613e+01
|
||||
|
||||
@ -756,7 +756,7 @@ Hfo_w
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = -6.888e-05
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.03
|
||||
Iterations = 21
|
||||
Iterations = 14
|
||||
Total H = 1.110123e+02
|
||||
Total O = 5.580615e+01
|
||||
|
||||
@ -891,7 +891,7 @@ Hfo_w
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = -5.700e-05
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.03
|
||||
Iterations = 21
|
||||
Iterations = 14
|
||||
Total H = 1.110123e+02
|
||||
Total O = 5.580616e+01
|
||||
|
||||
@ -1026,7 +1026,7 @@ Hfo_w
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = -4.647e-05
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.02
|
||||
Iterations = 21
|
||||
Iterations = 14
|
||||
Total H = 1.110123e+02
|
||||
Total O = 5.580617e+01
|
||||
|
||||
@ -1043,17 +1043,17 @@ H(0) 0.000e+00
|
||||
N(-3) 0.000e+00
|
||||
NH4+ 0.000e+00 0.000e+00 -53.741 -53.869 -0.128 18.17
|
||||
NH3 0.000e+00 0.000e+00 -56.874 -56.864 0.010 24.46
|
||||
N(0) 2.980e-07
|
||||
N2 1.490e-07 1.525e-07 -6.827 -6.817 0.010 29.29
|
||||
N(0) 2.979e-07
|
||||
N2 1.490e-07 1.524e-07 -6.827 -6.817 0.010 29.29
|
||||
N(3) 5.489e-13
|
||||
NO2- 5.489e-13 4.136e-13 -12.260 -12.383 -0.123 25.24
|
||||
NO2- 5.489e-13 4.136e-13 -12.261 -12.383 -0.123 25.24
|
||||
N(5) 1.000e-01
|
||||
NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.81
|
||||
Na 9.995e-02
|
||||
Na+ 9.995e-02 7.847e-02 -1.000 -1.105 -0.105 -1.09
|
||||
NaOH 1.376e-19 1.408e-19 -18.862 -18.852 0.010 (0)
|
||||
O(0) 7.447e-07
|
||||
O2 3.724e-07 3.810e-07 -6.429 -6.419 0.010 30.40
|
||||
O(0) 7.448e-07
|
||||
O2 3.724e-07 3.811e-07 -6.429 -6.419 0.010 30.40
|
||||
Zn 6.679e-08
|
||||
Zn+2 6.673e-08 2.510e-08 -7.176 -7.600 -0.425 -23.59
|
||||
ZnOH+ 6.244e-11 4.878e-11 -10.205 -10.312 -0.107 (0)
|
||||
@ -1103,7 +1103,7 @@ Using pure phase assemblage 1.
|
||||
Phase SI log IAP log K(T, P) Initial Final Delta
|
||||
|
||||
Fix_H+ -6.50 -6.50 0.00
|
||||
NaOH is reactant 1.000e+01 1.000e+01 3.898e-05
|
||||
NaOH is reactant 1.000e+01 1.000e+01 3.899e-05
|
||||
|
||||
------------------------------Surface composition------------------------------
|
||||
|
||||
@ -1161,7 +1161,7 @@ Hfo_w
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = -3.722e-05
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.02
|
||||
Iterations = 21
|
||||
Iterations = 13
|
||||
Total H = 1.110124e+02
|
||||
Total O = 5.580618e+01
|
||||
|
||||
@ -1178,16 +1178,16 @@ H(0) 0.000e+00
|
||||
N(-3) 0.000e+00
|
||||
NH4+ 0.000e+00 0.000e+00 -53.956 -54.084 -0.128 18.17
|
||||
NH3 0.000e+00 0.000e+00 -56.838 -56.828 0.010 24.46
|
||||
N(0) 2.145e-07
|
||||
N(0) 2.144e-07
|
||||
N2 1.072e-07 1.097e-07 -6.970 -6.960 0.010 29.29
|
||||
N(3) 6.471e-13
|
||||
NO2- 6.471e-13 4.875e-13 -12.189 -12.312 -0.123 25.24
|
||||
N(3) 6.470e-13
|
||||
NO2- 6.470e-13 4.875e-13 -12.189 -12.312 -0.123 25.24
|
||||
N(5) 1.000e-01
|
||||
NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.81
|
||||
Na 9.996e-02
|
||||
Na+ 9.996e-02 7.848e-02 -1.000 -1.105 -0.105 -1.09
|
||||
NaOH 2.446e-19 2.503e-19 -18.611 -18.601 0.010 (0)
|
||||
O(0) 5.359e-07
|
||||
O(0) 5.360e-07
|
||||
O2 2.680e-07 2.742e-07 -6.572 -6.562 0.010 30.40
|
||||
Zn 4.243e-08
|
||||
Zn+2 4.236e-08 1.594e-08 -7.373 -7.798 -0.425 -23.59
|
||||
@ -1283,7 +1283,7 @@ Hfo_w
|
||||
----------------------------Description of solution----------------------------
|
||||
|
||||
pH = 6.750 Charge balance
|
||||
pe = 13.094 Adjusted to redox equilibrium
|
||||
pe = 13.095 Adjusted to redox equilibrium
|
||||
Specific Conductance (uS/cm, 25 oC) = 10340
|
||||
Density (g/cm3) = 1.00265
|
||||
Volume (L) = 1.00584
|
||||
@ -1296,7 +1296,7 @@ Hfo_w
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = -2.911e-05
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.01
|
||||
Iterations = 21
|
||||
Iterations = 14
|
||||
Total H = 1.110124e+02
|
||||
Total O = 5.580619e+01
|
||||
|
||||
@ -1311,19 +1311,19 @@ Hfo_w
|
||||
H(0) 0.000e+00
|
||||
H2 0.000e+00 0.000e+00 -42.849 -42.839 0.010 28.61
|
||||
N(-3) 0.000e+00
|
||||
NH4+ 0.000e+00 0.000e+00 -54.169 -54.297 -0.128 18.17
|
||||
NH4+ 0.000e+00 0.000e+00 -54.170 -54.298 -0.128 18.17
|
||||
NH3 0.000e+00 0.000e+00 -56.802 -56.792 0.010 24.46
|
||||
N(0) 1.546e-07
|
||||
N2 7.728e-08 7.908e-08 -7.112 -7.102 0.010 29.29
|
||||
N(3) 7.630e-13
|
||||
NO2- 7.630e-13 5.748e-13 -12.117 -12.240 -0.123 25.24
|
||||
N(0) 1.543e-07
|
||||
N2 7.715e-08 7.895e-08 -7.113 -7.103 0.010 29.29
|
||||
N(3) 7.627e-13
|
||||
NO2- 7.627e-13 5.746e-13 -12.118 -12.241 -0.123 25.24
|
||||
N(5) 1.000e-01
|
||||
NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.81
|
||||
Na 9.997e-02
|
||||
Na+ 9.997e-02 7.849e-02 -1.000 -1.105 -0.105 -1.09
|
||||
NaOH 4.351e-19 4.452e-19 -18.361 -18.351 0.010 (0)
|
||||
O(0) 3.855e-07
|
||||
O2 1.927e-07 1.972e-07 -6.715 -6.705 0.010 30.40
|
||||
O(0) 3.858e-07
|
||||
O2 1.929e-07 1.974e-07 -6.715 -6.705 0.010 30.40
|
||||
Zn 2.114e-08
|
||||
Zn+2 2.108e-08 7.929e-09 -7.676 -8.101 -0.425 -23.59
|
||||
ZnOH+ 6.237e-11 4.872e-11 -10.205 -10.312 -0.107 (0)
|
||||
@ -1340,7 +1340,7 @@ Zn 2.114e-08
|
||||
H2O(g) -1.50 -0.00 1.50 H2O
|
||||
N2(g) -3.93 -7.10 -3.18 N2
|
||||
NH3(g) -58.59 -56.79 1.80 NH3
|
||||
O2(g) -3.81 -6.71 -2.89 O2
|
||||
O2(g) -3.81 -6.70 -2.89 O2
|
||||
Zn(OH)2(e) -6.10 5.40 11.50 Zn(OH)2
|
||||
|
||||
|
||||
@ -1431,7 +1431,7 @@ Hfo_w
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = -2.201e-05
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.01
|
||||
Iterations = 10
|
||||
Iterations = 14
|
||||
Total H = 1.110124e+02
|
||||
Total O = 5.580619e+01
|
||||
|
||||
@ -1566,7 +1566,7 @@ Hfo_w
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = -1.575e-05
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.01
|
||||
Iterations = 10
|
||||
Iterations = 14
|
||||
Total H = 1.110124e+02
|
||||
Total O = 5.580620e+01
|
||||
|
||||
@ -1581,19 +1581,19 @@ Hfo_w
|
||||
H(0) 0.000e+00
|
||||
H2 0.000e+00 0.000e+00 -42.706 -42.696 0.010 28.61
|
||||
N(-3) 0.000e+00
|
||||
NH4+ 0.000e+00 0.000e+00 -54.598 -54.726 -0.128 18.17
|
||||
NH4+ 0.000e+00 0.000e+00 -54.599 -54.727 -0.128 18.17
|
||||
NH3 0.000e+00 0.000e+00 -56.731 -56.721 0.010 24.46
|
||||
N(0) 7.997e-08
|
||||
N2 3.998e-08 4.091e-08 -7.398 -7.388 0.010 29.29
|
||||
N(0) 7.992e-08
|
||||
N2 3.996e-08 4.089e-08 -7.398 -7.388 0.010 29.29
|
||||
N(3) 1.060e-12
|
||||
NO2- 1.060e-12 7.986e-13 -11.975 -12.098 -0.123 25.24
|
||||
NO2- 1.060e-12 7.985e-13 -11.975 -12.098 -0.123 25.24
|
||||
N(5) 1.000e-01
|
||||
NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.81
|
||||
Na 9.998e-02
|
||||
Na+ 9.998e-02 7.850e-02 -1.000 -1.105 -0.105 -1.09
|
||||
NaOH 1.376e-18 1.408e-18 -17.861 -17.851 0.010 (0)
|
||||
O(0) 1.998e-07
|
||||
O2 9.988e-08 1.022e-07 -7.001 -6.991 0.010 30.40
|
||||
O2 9.990e-08 1.022e-07 -7.000 -6.990 0.010 30.40
|
||||
Zn 3.340e-09
|
||||
Zn+2 3.304e-09 1.243e-09 -8.481 -8.905 -0.425 -23.59
|
||||
ZnOH+ 3.092e-11 2.416e-11 -10.510 -10.617 -0.107 (0)
|
||||
@ -1701,7 +1701,7 @@ Hfo_w
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = -1.013e-05
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.01
|
||||
Iterations = 11
|
||||
Iterations = 14
|
||||
Total H = 1.110124e+02
|
||||
Total O = 5.580621e+01
|
||||
|
||||
@ -1836,7 +1836,7 @@ Hfo_w
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = -4.962e-06
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
|
||||
Iterations = 11
|
||||
Iterations = 14
|
||||
Total H = 1.110124e+02
|
||||
Total O = 5.580621e+01
|
||||
|
||||
@ -1971,7 +1971,7 @@ Hfo_w
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = -1.787e-08
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
|
||||
Iterations = 11
|
||||
Iterations = 14
|
||||
Total H = 1.110124e+02
|
||||
Total O = 5.580622e+01
|
||||
|
||||
@ -1991,7 +1991,7 @@ N(-3) 0.000e+00
|
||||
N(0) 2.979e-08
|
||||
N2 1.490e-08 1.524e-08 -7.827 -7.817 0.010 29.29
|
||||
N(3) 1.736e-12
|
||||
NO2- 1.736e-12 1.308e-12 -11.760 -11.883 -0.123 25.24
|
||||
NO2- 1.736e-12 1.308e-12 -11.761 -11.883 -0.123 25.24
|
||||
N(5) 1.000e-01
|
||||
NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.81
|
||||
Na 1.000e-01
|
||||
@ -2678,7 +2678,7 @@ Hfo_w
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = -5.821e-05
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.03
|
||||
Iterations = 22
|
||||
Iterations = 23
|
||||
Total H = 1.110123e+02
|
||||
Total O = 5.580617e+01
|
||||
|
||||
@ -2830,10 +2830,10 @@ H(0) 0.000e+00
|
||||
N(-3) 0.000e+00
|
||||
NH4+ 0.000e+00 0.000e+00 -53.741 -53.869 -0.128 18.17
|
||||
NH3 0.000e+00 0.000e+00 -56.874 -56.864 0.010 24.46
|
||||
N(0) 2.980e-07
|
||||
N2 1.490e-07 1.525e-07 -6.827 -6.817 0.010 29.29
|
||||
N(0) 2.979e-07
|
||||
N2 1.490e-07 1.524e-07 -6.827 -6.817 0.010 29.29
|
||||
N(3) 5.489e-13
|
||||
NO2- 5.489e-13 4.136e-13 -12.260 -12.383 -0.123 25.24
|
||||
NO2- 5.489e-13 4.135e-13 -12.260 -12.383 -0.123 25.24
|
||||
N(5) 1.000e-01
|
||||
NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.81
|
||||
Na 9.976e-02
|
||||
@ -2961,21 +2961,21 @@ Hfo_w
|
||||
OH- 4.189e-08 3.190e-08 -7.378 -7.496 -0.118 -3.73
|
||||
H2O 5.551e+01 9.966e-01 1.744 -0.001 0.000 18.07
|
||||
H(0) 0.000e+00
|
||||
H2 0.000e+00 0.000e+00 -42.920 -42.910 0.010 28.61
|
||||
H2 0.000e+00 0.000e+00 -42.921 -42.910 0.010 28.61
|
||||
N(-3) 0.000e+00
|
||||
NH4+ 0.000e+00 0.000e+00 -53.955 -54.083 -0.128 18.17
|
||||
NH3 0.000e+00 0.000e+00 -56.837 -56.827 0.010 24.46
|
||||
N(0) 2.147e-07
|
||||
N2 1.074e-07 1.099e-07 -6.969 -6.959 0.010 29.29
|
||||
N(3) 6.473e-13
|
||||
NO2- 6.473e-13 4.876e-13 -12.189 -12.312 -0.123 25.24
|
||||
NH4+ 0.000e+00 0.000e+00 -53.955 -54.084 -0.128 18.17
|
||||
NH3 0.000e+00 0.000e+00 -56.838 -56.828 0.010 24.46
|
||||
N(0) 2.145e-07
|
||||
N2 1.072e-07 1.097e-07 -6.970 -6.960 0.010 29.29
|
||||
N(3) 6.471e-13
|
||||
NO2- 6.471e-13 4.875e-13 -12.189 -12.312 -0.123 25.24
|
||||
N(5) 1.000e-01
|
||||
NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.81
|
||||
Na 9.978e-02
|
||||
Na+ 9.978e-02 7.833e-02 -1.001 -1.106 -0.105 -1.09
|
||||
NaOH 2.442e-19 2.499e-19 -18.612 -18.602 0.010 (0)
|
||||
O(0) 5.356e-07
|
||||
O2 2.678e-07 2.741e-07 -6.572 -6.562 0.010 30.40
|
||||
O(0) 5.359e-07
|
||||
O2 2.679e-07 2.742e-07 -6.572 -6.562 0.010 30.40
|
||||
Zn 9.075e-05
|
||||
Zn+2 9.059e-05 3.407e-05 -4.043 -4.468 -0.425 -23.59
|
||||
ZnOH+ 1.507e-07 1.177e-07 -6.822 -6.929 -0.107 (0)
|
||||
@ -3100,8 +3100,8 @@ H(0) 0.000e+00
|
||||
N(-3) 0.000e+00
|
||||
NH4+ 0.000e+00 0.000e+00 -54.169 -54.297 -0.128 18.17
|
||||
NH3 0.000e+00 0.000e+00 -56.802 -56.792 0.010 24.46
|
||||
N(0) 1.546e-07
|
||||
N2 7.730e-08 7.910e-08 -7.112 -7.102 0.010 29.29
|
||||
N(0) 1.545e-07
|
||||
N2 7.727e-08 7.907e-08 -7.112 -7.102 0.010 29.29
|
||||
N(3) 7.630e-13
|
||||
NO2- 7.630e-13 5.748e-13 -12.117 -12.240 -0.123 25.24
|
||||
N(5) 1.000e-01
|
||||
@ -3109,7 +3109,7 @@ N(5) 1.000e-01
|
||||
Na 9.980e-02
|
||||
Na+ 9.980e-02 7.835e-02 -1.001 -1.106 -0.105 -1.09
|
||||
NaOH 4.343e-19 4.444e-19 -18.362 -18.352 0.010 (0)
|
||||
O(0) 3.854e-07
|
||||
O(0) 3.855e-07
|
||||
O2 1.927e-07 1.972e-07 -6.715 -6.705 0.010 30.40
|
||||
Zn 8.484e-05
|
||||
Zn+2 8.458e-05 3.181e-05 -4.073 -4.497 -0.425 -23.59
|
||||
@ -3368,9 +3368,9 @@ Hfo_w
|
||||
H(0) 0.000e+00
|
||||
H2 0.000e+00 0.000e+00 -42.706 -42.696 0.010 28.61
|
||||
N(-3) 0.000e+00
|
||||
NH4+ 0.000e+00 0.000e+00 -54.598 -54.726 -0.128 18.17
|
||||
NH4+ 0.000e+00 0.000e+00 -54.598 -54.727 -0.128 18.17
|
||||
NH3 0.000e+00 0.000e+00 -56.731 -56.721 0.010 24.46
|
||||
N(0) 7.994e-08
|
||||
N(0) 7.993e-08
|
||||
N2 3.997e-08 4.090e-08 -7.398 -7.388 0.010 29.29
|
||||
N(3) 1.060e-12
|
||||
NO2- 1.060e-12 7.985e-13 -11.975 -12.098 -0.123 25.24
|
||||
@ -3504,18 +3504,18 @@ H(0) 0.000e+00
|
||||
H2 0.000e+00 0.000e+00 -42.635 -42.625 0.010 28.61
|
||||
N(-3) 0.000e+00
|
||||
NH4+ 0.000e+00 0.000e+00 -54.812 -54.940 -0.128 18.17
|
||||
NH3 0.000e+00 0.000e+00 -56.694 -56.684 0.010 24.46
|
||||
N(0) 5.762e-08
|
||||
N2 2.881e-08 2.948e-08 -7.540 -7.530 0.010 29.29
|
||||
NH3 0.000e+00 0.000e+00 -56.695 -56.685 0.010 24.46
|
||||
N(0) 5.760e-08
|
||||
N2 2.880e-08 2.947e-08 -7.541 -7.531 0.010 29.29
|
||||
N(3) 1.250e-12
|
||||
NO2- 1.250e-12 9.415e-13 -11.903 -12.026 -0.123 25.24
|
||||
NO2- 1.250e-12 9.414e-13 -11.903 -12.026 -0.123 25.24
|
||||
N(5) 1.000e-01
|
||||
NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.81
|
||||
Na 9.988e-02
|
||||
Na+ 9.988e-02 7.841e-02 -1.001 -1.106 -0.105 -1.09
|
||||
NaOH 2.444e-18 2.501e-18 -17.612 -17.602 0.010 (0)
|
||||
O(0) 1.437e-07
|
||||
O2 7.184e-08 7.352e-08 -7.144 -7.134 0.010 30.40
|
||||
O2 7.185e-08 7.353e-08 -7.144 -7.134 0.010 30.40
|
||||
Zn 4.944e-05
|
||||
Zn+2 4.841e-05 1.821e-05 -4.315 -4.740 -0.425 -23.59
|
||||
ZnOH+ 8.055e-07 6.292e-07 -6.094 -6.201 -0.107 (0)
|
||||
@ -3610,7 +3610,7 @@ Hfo_w
|
||||
----------------------------Description of solution----------------------------
|
||||
|
||||
pH = 7.750 Charge balance
|
||||
pe = 11.952 Adjusted to redox equilibrium
|
||||
pe = 11.951 Adjusted to redox equilibrium
|
||||
Specific Conductance (uS/cm, 25 oC) = 10339
|
||||
Density (g/cm3) = 1.00265
|
||||
Volume (L) = 1.00584
|
||||
@ -3623,7 +3623,7 @@ Hfo_w
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = -2.080e-05
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.01
|
||||
Iterations = 25
|
||||
Iterations = 23
|
||||
Total H = 1.110126e+02
|
||||
Total O = 5.580632e+01
|
||||
|
||||
@ -3638,19 +3638,19 @@ Hfo_w
|
||||
H(0) 0.000e+00
|
||||
H2 0.000e+00 0.000e+00 -42.563 -42.553 0.010 28.61
|
||||
N(-3) 0.000e+00
|
||||
NH4+ 0.000e+00 0.000e+00 -55.027 -55.155 -0.128 18.17
|
||||
NH3 0.000e+00 0.000e+00 -56.659 -56.649 0.010 24.46
|
||||
N(0) 4.139e-08
|
||||
N2 2.070e-08 2.118e-08 -7.684 -7.674 0.010 29.29
|
||||
N(3) 1.473e-12
|
||||
NO2- 1.473e-12 1.109e-12 -11.832 -11.955 -0.123 25.24
|
||||
NH4+ 0.000e+00 0.000e+00 -55.025 -55.153 -0.128 18.17
|
||||
NH3 0.000e+00 0.000e+00 -56.657 -56.647 0.010 24.46
|
||||
N(0) 4.167e-08
|
||||
N2 2.083e-08 2.132e-08 -7.681 -7.671 0.010 29.29
|
||||
N(3) 1.475e-12
|
||||
NO2- 1.475e-12 1.111e-12 -11.831 -11.954 -0.123 25.24
|
||||
N(5) 1.000e-01
|
||||
NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.81
|
||||
Na 9.991e-02
|
||||
Na+ 9.991e-02 7.844e-02 -1.000 -1.105 -0.105 -1.09
|
||||
NaOH 4.348e-18 4.449e-18 -17.362 -17.352 0.010 (0)
|
||||
O(0) 1.035e-07
|
||||
O2 5.174e-08 5.295e-08 -7.286 -7.276 0.010 30.40
|
||||
O(0) 1.032e-07
|
||||
O2 5.161e-08 5.281e-08 -7.287 -7.277 0.010 30.40
|
||||
Zn 3.752e-05
|
||||
Zn+2 3.594e-05 1.352e-05 -4.444 -4.869 -0.425 -23.59
|
||||
ZnOH+ 1.063e-06 8.307e-07 -5.973 -6.081 -0.107 (0)
|
||||
@ -3666,7 +3666,7 @@ Zn 3.752e-05
|
||||
H2(g) -39.45 -42.55 -3.10 H2
|
||||
H2O(g) -1.50 -0.00 1.50 H2O
|
||||
N2(g) -4.50 -7.67 -3.18 N2
|
||||
NH3(g) -58.45 -56.65 1.80 NH3
|
||||
NH3(g) -58.44 -56.65 1.80 NH3
|
||||
O2(g) -4.38 -7.28 -2.89 O2
|
||||
Zn(OH)2(e) -0.87 10.63 11.50 Zn(OH)2
|
||||
|
||||
@ -3758,7 +3758,7 @@ Hfo_w
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = -1.854e-05
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.01
|
||||
Iterations = 24
|
||||
Iterations = 25
|
||||
Total H = 1.110127e+02
|
||||
Total O = 5.580635e+01
|
||||
|
||||
@ -3775,8 +3775,8 @@ H(0) 0.000e+00
|
||||
N(-3) 0.000e+00
|
||||
NH4+ 0.000e+00 0.000e+00 -55.241 -55.369 -0.128 18.17
|
||||
NH3 0.000e+00 0.000e+00 -56.624 -56.614 0.010 24.46
|
||||
N(0) 2.980e-08
|
||||
N2 1.490e-08 1.525e-08 -7.827 -7.817 0.010 29.29
|
||||
N(0) 2.979e-08
|
||||
N2 1.490e-08 1.524e-08 -7.827 -7.817 0.010 29.29
|
||||
N(3) 1.736e-12
|
||||
NO2- 1.736e-12 1.308e-12 -11.760 -11.883 -0.123 25.24
|
||||
N(5) 1.000e-01
|
||||
@ -3784,8 +3784,8 @@ N(5) 1.000e-01
|
||||
Na 9.993e-02
|
||||
Na+ 9.993e-02 7.845e-02 -1.000 -1.105 -0.105 -1.09
|
||||
NaOH 7.734e-18 7.914e-18 -17.112 -17.102 0.010 (0)
|
||||
O(0) 7.447e-08
|
||||
O2 3.724e-08 3.810e-08 -7.429 -7.419 0.010 30.40
|
||||
O(0) 7.448e-08
|
||||
O2 3.724e-08 3.811e-08 -7.429 -7.419 0.010 30.40
|
||||
Zn 2.762e-05
|
||||
Zn+2 2.514e-05 9.458e-06 -4.600 -5.024 -0.425 -23.59
|
||||
ZnOH+ 1.323e-06 1.033e-06 -5.878 -5.986 -0.107 (0)
|
||||
@ -3824,6 +3824,6 @@ Reading input data for simulation 34.
|
||||
-------------------------------------
|
||||
|
||||
------------------------------
|
||||
End of Run after 0.06 Seconds.
|
||||
End of Run after 0.05 Seconds.
|
||||
------------------------------
|
||||
|
||||
|
||||
6
ex8.sel
6
ex8.sel
@ -6,7 +6,7 @@
|
||||
9 react 1 -99 0 1 6 13.9517 -99 25.000 -1.19828e-06 0.0999713 0.999999 -5.70006e-05 -0.0285086 8.4496e-08 6.2324e-10 1.4836e-08
|
||||
10 react 1 -99 0 1 6.25 13.666 -99 25.000 -6.57701e-07 0.0999766 0.999999 -4.64735e-05 -0.0232422 6.6729e-08 1.3432e-09 3.1864e-08
|
||||
11 react 1 -99 0 1 6.5 13.3803 -99 25.000 -3.41177e-07 0.0999813 0.999999 -3.7219e-05 -0.018613 4.2359e-08 2.3391e-09 5.5230e-08
|
||||
12 react 1 -99 0 1 6.75 13.0945 -99 25.000 -1.40904e-07 0.0999854 0.999999 -2.91148e-05 -0.0145595 2.1076e-08 3.2169e-09 7.5642e-08
|
||||
12 react 1 -99 0 1 6.75 13.0946 -99 25.000 -1.40904e-07 0.0999854 0.999999 -2.91148e-05 -0.0145595 2.1076e-08 3.2169e-09 7.5642e-08
|
||||
13 react 1 -99 0 1 7 12.8088 -99 25.000 1.13439e-08 0.0999891 1 -2.20135e-05 -0.011008 8.7607e-09 3.7285e-09 8.7461e-08
|
||||
14 react 1 -99 0 1 7.25 12.5231 -99 25.000 1.67438e-07 0.0999923 1 -1.57484e-05 -0.0078748 3.3044e-09 3.9562e-09 9.2704e-08
|
||||
15 react 1 -99 0 1 7.5 12.2374 -99 25.000 3.80557e-07 0.0999953 1 -1.01328e-05 -0.00506665 1.1918e-09 4.0447e-09 9.4738e-08
|
||||
@ -22,6 +22,6 @@
|
||||
27 react 2 -99 0 1 6.75 13.0945 -99 25.000 1.33839e-07 0.100068 1 -3.28749e-05 -0.0164401 8.4578e-05 1.0254e-05 4.9050e-06
|
||||
28 react 2 -99 0 1 7 12.8088 -99 25.000 4.7235e-07 0.10006 1 -2.81879e-05 -0.0140959 7.4599e-05 2.0021e-05 4.9534e-06
|
||||
29 react 2 -99 0 1 7.25 12.5231 -99 25.000 9.25371e-07 0.100049 1 -2.51184e-05 -0.0125608 6.1808e-05 3.2551e-05 4.9732e-06
|
||||
30 react 2 -99 0 1 7.5 12.2373 -99 25.000 1.63108e-06 0.100037 1 -2.28778e-05 -0.0114402 4.8410e-05 4.5580e-05 4.9823e-06
|
||||
31 react 2 -99 0 1 7.75 11.9517 -99 25.000 2.83165e-06 0.100026 1 -2.08025e-05 -0.0104023 3.5937e-05 5.7490e-05 4.9870e-06
|
||||
30 react 2 -99 0 1 7.5 12.2374 -99 25.000 1.63108e-06 0.100037 1 -2.28778e-05 -0.0114402 4.8410e-05 4.5580e-05 4.9823e-06
|
||||
31 react 2 -99 0 1 7.75 11.9514 -99 25.000 2.83165e-06 0.100026 1 -2.08025e-05 -0.0104023 3.5937e-05 5.7490e-05 4.9870e-06
|
||||
32 react 2 -99 0 1 8 11.666 -99 25.000 4.94809e-06 0.100017 1 -1.85413e-05 -0.00927139 2.5143e-05 6.7388e-05 4.9897e-06
|
||||
|
||||
68
ex9.out
68
ex9.out
@ -278,9 +278,9 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -2.665e-07
|
||||
Total carbon (mol/kg) = 0.000e+00
|
||||
Total CO2 (mol/kg) = 0.000e+00
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = -7.880e-17
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
|
||||
Iterations = 248
|
||||
Electrical balance (eq) = 7.961e-16
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
||||
Iterations = 208
|
||||
Total H = 1.110124e+02
|
||||
Total O = 5.550676e+01
|
||||
|
||||
@ -377,9 +377,9 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -1.854e-07
|
||||
Total carbon (mol/kg) = 0.000e+00
|
||||
Total CO2 (mol/kg) = 0.000e+00
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = -7.488e-17
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
|
||||
Iterations = 40
|
||||
Electrical balance (eq) = 7.956e-16
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
||||
Iterations = 27
|
||||
Total H = 1.110124e+02
|
||||
Total O = 5.550676e+01
|
||||
|
||||
@ -476,9 +476,9 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -4.065e-07
|
||||
Total carbon (mol/kg) = 0.000e+00
|
||||
Total CO2 (mol/kg) = 0.000e+00
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = -7.204e-17
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
|
||||
Iterations = 95
|
||||
Electrical balance (eq) = 8.810e-16
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
||||
Iterations = 67
|
||||
Total H = 1.110124e+02
|
||||
Total O = 5.550677e+01
|
||||
|
||||
@ -575,9 +575,9 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -4.919e-07
|
||||
Total carbon (mol/kg) = 0.000e+00
|
||||
Total CO2 (mol/kg) = 0.000e+00
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = -7.063e-17
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
|
||||
Iterations = 40
|
||||
Electrical balance (eq) = 6.860e-15
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
||||
Iterations = 26
|
||||
Total H = 1.110124e+02
|
||||
Total O = 5.550677e+01
|
||||
|
||||
@ -674,9 +674,9 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -4.723e-07
|
||||
Total carbon (mol/kg) = 0.000e+00
|
||||
Total CO2 (mol/kg) = 0.000e+00
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = -7.085e-17
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
|
||||
Iterations = 40
|
||||
Electrical balance (eq) = 6.856e-15
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
||||
Iterations = 24
|
||||
Total H = 1.110124e+02
|
||||
Total O = 5.550677e+01
|
||||
|
||||
@ -773,9 +773,9 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -6.060e-07
|
||||
Total carbon (mol/kg) = 0.000e+00
|
||||
Total CO2 (mol/kg) = 0.000e+00
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = -7.108e-17
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
|
||||
Iterations = 40
|
||||
Electrical balance (eq) = 6.866e-15
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
||||
Iterations = 24
|
||||
Total H = 1.110124e+02
|
||||
Total O = 5.550677e+01
|
||||
|
||||
@ -872,9 +872,9 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -6.200e-07
|
||||
Total carbon (mol/kg) = 0.000e+00
|
||||
Total CO2 (mol/kg) = 0.000e+00
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = -7.218e-17
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
|
||||
Iterations = 40
|
||||
Electrical balance (eq) = 6.863e-15
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
||||
Iterations = 23
|
||||
Total H = 1.110124e+02
|
||||
Total O = 5.550677e+01
|
||||
|
||||
@ -971,9 +971,9 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -7.777e-07
|
||||
Total carbon (mol/kg) = 0.000e+00
|
||||
Total CO2 (mol/kg) = 0.000e+00
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = -7.061e-17
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
|
||||
Iterations = 40
|
||||
Electrical balance (eq) = 6.856e-15
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
||||
Iterations = 23
|
||||
Total H = 1.110124e+02
|
||||
Total O = 5.550677e+01
|
||||
|
||||
@ -1070,9 +1070,9 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -5.431e-07
|
||||
Total carbon (mol/kg) = 0.000e+00
|
||||
Total CO2 (mol/kg) = 0.000e+00
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = -6.716e-17
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
|
||||
Iterations = 40
|
||||
Electrical balance (eq) = 5.311e-14
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
||||
Iterations = 20
|
||||
Total H = 1.110124e+02
|
||||
Total O = 5.550677e+01
|
||||
|
||||
@ -1169,9 +1169,9 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -4.308e-07
|
||||
Total carbon (mol/kg) = 0.000e+00
|
||||
Total CO2 (mol/kg) = 0.000e+00
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = -6.867e-17
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
|
||||
Iterations = 40
|
||||
Electrical balance (eq) = 5.621e-14
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
||||
Iterations = 20
|
||||
Total H = 1.110124e+02
|
||||
Total O = 5.550677e+01
|
||||
|
||||
@ -1268,9 +1268,9 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -3.627e-07
|
||||
Total carbon (mol/kg) = 0.000e+00
|
||||
Total CO2 (mol/kg) = 0.000e+00
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = -6.829e-17
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
|
||||
Iterations = 40
|
||||
Electrical balance (eq) = 5.663e-14
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
||||
Iterations = 20
|
||||
Total H = 1.110124e+02
|
||||
Total O = 5.550677e+01
|
||||
|
||||
@ -1331,6 +1331,6 @@ Reading input data for simulation 3.
|
||||
------------------------------------
|
||||
|
||||
------------------------------
|
||||
End of Run after 0.05 Seconds.
|
||||
End of Run after 0.04 Seconds.
|
||||
------------------------------
|
||||
|
||||
|
||||
Loading…
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Reference in New Issue
Block a user