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57 lines
1.6 KiB
Plaintext
57 lines
1.6 KiB
Plaintext
## Time-stamp: "Last modified 2023-02-27 14:31:11 delucia"
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KNOBS
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-logfile false
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-iterations 10000
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-convergence_tolerance 1E-12
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-step_size 2
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-pe_step_size 2
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SELECTED_OUTPUT
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-reset false
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-high_precision true
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-solution true
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-state true
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-step true
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-pH true
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-pe true
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-ionic_strength true
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-water true
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USER_PUNCH
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-head total_o total_h cb C(-4) C(4) Ca Cl Fe(2) Fe(3) H(0) K Mg Na S(-2) S(2) S(4) S(6) Sr U(4) U(5) U(6) UO2(am,hyd) KdU
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-start
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5 w=TOT("water")
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10 PUNCH TOTMOLE("O"), TOTMOLE("H"), CHARGE_BALANCE, w*TOT("C(-4)"), w*TOT("C(4)"), w*TOT("Ca"), w*TOT("Cl"), w*TOT("Fe(2)"), w*TOT("Fe(3)"), w*TOT("H(0)"), w*TOT("K"), w*TOT("Mg"), w*TOT("Na"), w*TOT("S(-2)"), w*TOT("S(2)"), w*TOT("S(4)"), w*TOT("S(6)"), w*TOT("Sr"), w*TOT("U(4)"), w*TOT("U(5)"), w*TOT("U(6)"), EQUI("UO2(am,hyd)")
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20 PUNCH ((SURF("U, Ill")+SURF("U, Mll")+SURF("U, Kln")+EDL("U, Ill")+EDL("U, Mll")+EDL("U, Kln"))/((TOT("U")*1.01583)))/(0.002251896406*1000)
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-end
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SOLUTION 1
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temp 13
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units mol/kgw
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pH 7.06355
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pe -2.626517
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C(4) 0.001990694
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Ca 0.02172649
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Cl 0.3227673 charge
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Fe 0.0001434717
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K 0.001902357
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Mg 0.01739704
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Na 0.2762882
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S(6) 0.01652701
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Sr 0.0004520361
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U(4) 8.147792e-12
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U(6) 2.237946e-09
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-water 0.00133
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SURFACE 1
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-equil 1
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-sites_units density
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-donnan 4.9e-10
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Kln_aOH 1.155 11. 5.0518
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Kln_siOH 1.155
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Ill_sOH 0.05 100. 5.5931
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Ill_wOH 2.26
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Mll_sOH 0.05 100. 1.0825
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Mll_wOH 2.26
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EXCHANGE 1
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-equil 1
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Z 0.0012585
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Y 0.0009418
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END
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