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0642749631
All reactant structs have been removed. Tony's pressure uses mu in pressure term of log_k. Test cases run, discriminant check at 1e-8. Still want to optimize out some k_temp calls and checks for same T, P, mu. git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@6269 1feff8c3-07ed-0310-ac33-dd36852eb9cd
28 lines
6.2 KiB
Plaintext
28 lines
6.2 KiB
Plaintext
sim state soln dist_x time step pH pe reaction temp Alk mu mass_H2O charge pct_err m_Zn+2 m_Hfo_wOZn+ m_Hfo_sOZn+
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5 react 1 -99 0 1 5 15.0946 -99 25.000 -1.21115e-05 0.0999426 0.999998 -0.000112296 -0.0561802 9.9667e-08 1.3194e-11 3.1498e-10
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6 react 1 -99 0 1 5.25 14.8089 -99 25.000 -6.80917e-06 0.0999508 0.999998 -9.67118e-05 -0.0483798 9.9093e-08 3.6118e-11 8.6216e-10
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7 react 1 -99 0 1 5.5 14.5232 -99 25.000 -3.82614e-06 0.0999584 0.999998 -8.21703e-05 -0.0411024 9.7567e-08 9.7221e-11 2.3200e-09
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8 react 1 -99 0 1 5.75 14.2374 -99 25.000 -2.14636e-06 0.0999652 0.999999 -6.89133e-05 -0.0344687 9.3657e-08 2.5418e-10 6.0611e-09
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9 react 1 -99 0 1 6 13.9517 -99 25.000 -1.19766e-06 0.0999713 0.999999 -5.70276e-05 -0.028522 8.4476e-08 6.2406e-10 1.4855e-08
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10 react 1 -99 0 1 6.25 13.666 -99 25.000 -6.56922e-07 0.0999766 0.999999 -4.64966e-05 -0.0232538 6.6695e-08 1.3446e-09 3.1897e-08
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11 react 1 -99 0 1 6.5 13.3803 -99 25.000 -3.39973e-07 0.0999813 0.999999 -3.72384e-05 -0.0186227 4.2322e-08 2.3406e-09 5.5265e-08
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12 react 1 -99 0 1 6.75 13.0945 -99 25.000 -1.38865e-07 0.0999854 0.999999 -2.91306e-05 -0.0145674 2.1052e-08 3.2179e-09 7.5665e-08
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13 react 1 -99 0 1 7 12.8089 -99 25.000 1.49123e-08 0.0999891 1 -2.20259e-05 -0.0110142 8.7494e-09 3.7289e-09 8.7472e-08
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14 react 1 -99 0 1 7.25 12.5231 -99 25.000 1.73752e-07 0.0999923 1 -1.57575e-05 -0.00787937 3.3000e-09 3.9564e-09 9.2708e-08
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15 react 1 -99 0 1 7.5 12.2374 -99 25.000 3.91767e-07 0.0999953 1 -1.01389e-05 -0.00506967 1.1903e-09 4.0447e-09 9.4740e-08
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16 react 1 -99 0 1 7.75 11.9517 -99 25.000 7.43222e-07 0.0999982 1 -4.96513e-06 -0.00248261 4.2114e-10 4.0771e-09 9.5483e-08
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17 react 1 -99 0 1 8 11.666 -99 25.000 1.34783e-06 0.100001 1 -1.78819e-08 -8.94083e-06 1.4799e-10 4.0887e-09 9.5749e-08
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20 react 2 -99 0 1 5 15.0946 -99 25.000 -1.21069e-05 0.100042 0.999998 -0.000112395 -0.0562298 9.9686e-05 1.3187e-08 2.9620e-07
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21 react 2 -99 0 1 5.25 14.8088 -99 25.000 -6.8002e-06 0.10005 0.999998 -9.69284e-05 -0.0484882 9.9220e-05 3.6081e-08 7.3494e-07
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22 react 2 -99 0 1 5.5 14.5231 -99 25.000 -3.80989e-06 0.100056 0.999998 -8.26283e-05 -0.0413315 9.8300e-05 9.7297e-08 1.5866e-06
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23 react 2 -99 0 1 5.75 14.2374 -99 25.000 -2.1175e-06 0.100062 0.999999 -6.97307e-05 -0.0348777 9.6947e-05 2.5891e-07 2.7658e-06
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24 react 2 -99 0 1 6 13.9517 -99 25.000 -1.14663e-06 0.100066 0.999999 -5.82349e-05 -0.029126 9.5437e-05 6.8302e-07 3.8297e-06
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25 react 2 -99 0 1 6.25 13.666 -99 25.000 -5.666e-07 0.100069 0.999999 -4.81332e-05 -0.0240725 9.3651e-05 1.7815e-06 4.4782e-06
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26 react 2 -99 0 1 6.5 13.3803 -99 25.000 -1.80895e-07 0.100071 1 -3.9588e-05 -0.019798 9.0584e-05 4.4798e-06 4.7815e-06
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27 react 2 -99 0 1 6.75 13.0946 -99 25.000 1.36074e-07 0.100068 1 -3.28951e-05 -0.0164503 8.4566e-05 1.0266e-05 4.9051e-06
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28 react 2 -99 0 1 7 12.8089 -99 25.000 4.76212e-07 0.10006 1 -2.82078e-05 -0.0141059 7.4581e-05 2.0039e-05 4.9534e-06
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29 react 2 -99 0 1 7.25 12.5231 -99 25.000 9.32114e-07 0.100049 1 -2.51381e-05 -0.0125706 6.1786e-05 3.2572e-05 4.9732e-06
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30 react 2 -99 0 1 7.5 12.2374 -99 25.000 1.64293e-06 0.100037 1 -2.28968e-05 -0.0114497 4.8388e-05 4.5601e-05 4.9823e-06
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31 react 2 -99 0 1 7.75 11.9514 -99 25.000 2.85258e-06 0.100026 1 -2.08203e-05 -0.0104111 3.5918e-05 5.7508e-05 4.9871e-06
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32 react 2 -99 0 1 8 11.666 -99 25.000 4.98504e-06 0.100017 1 -1.85571e-05 -0.00927929 2.5127e-05 6.7404e-05 4.9897e-06
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