96 lines
3.1 KiB
Text
96 lines
3.1 KiB
Text
*** StoichSolidKinetics Test ***
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Tests for the proper behavior of heterogeneous reactions
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when phases may or may not exist:
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CaCO3(s) = CO2(g) + CaO(s)
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deltaGSS = 1.729E+07
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deltaG = 3.908E+06
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mu_CO2(g) = -4.094E+08
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mu_cao(s) = -5.292E+08
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mu_caco3 = -9.424E+08
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deltaG_calc = 3.908E+06
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act_CO2 = 2.000E-01
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act_cao(s) = 1.000E+00
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act_caco3(s) = 1.000E+00
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*** Base problem assuming that all phases exist:
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ROP_net = -5.414E-07
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ROP_forward = 9.023E-07
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ROP_reverse = 1.444E-06
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kfwd = 9.023E-07
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krev = 5.923E-04
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*** Setting CaO(S) phase to nonexistent:
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ROP_net = 0.000E+00
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ROP_forward = 9.023E-07
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ROP_reverse = 9.023E-07
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kfwd = 9.023E-07
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krev = 5.923E-04
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*** Setting CaCO3(S) phase to nonexistent:
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ROP_net = 0.000E+00
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ROP_forward = 0.000E+00
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ROP_reverse = 0.000E+00
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kfwd = 9.023E-07
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krev = 5.923E-04
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*** OK Setting CaO(S) phase to existent, CaCO3 nonexistent:
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ROP_net = -5.414E-07
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ROP_forward = 9.023E-07
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ROP_reverse = 1.444E-06
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kfwd = 9.023E-07
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krev = 5.923E-04
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*** Setting Gas phase to nonexistent, CaCO3 nonexistent:
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ROP_net = 0.000E+00
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ROP_forward = 0.000E+00
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ROP_reverse = 0.000E+00
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kfwd = 9.023E-07
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krev = 5.923E-04
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*** Setting to all phases existing:
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ROP_net = -5.414E-07
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ROP_forward = 9.023E-07
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ROP_reverse = 1.444E-06
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kfwd = 9.023E-07
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krev = 5.923E-04
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*** Setting so that forward rate if faster:
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deltaGSS = 1.729E+07
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deltaG = -3.438E+07
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mu_CO2(g) = -4.476E+08
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mu_cao(s) = -5.292E+08
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mu_caco3 = -9.424E+08
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deltaG_calc = -3.438E+07
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act_CO2 = 2.000E-03
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act_cao(s) = 1.000E+00
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act_caco3(s) = 1.000E+00
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*** Base problem assuming that all phases exist:
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ROP_net = 8.878E-07
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ROP_forward = 9.023E-07
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ROP_reverse = 1.444E-08
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kfwd = 9.023E-07
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krev = 5.923E-04
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*** Setting CaO(S) phase to nonexistent:
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ROP_net = 8.878E-07
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ROP_forward = 9.023E-07
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ROP_reverse = 1.444E-08
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kfwd = 9.023E-07
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krev = 5.923E-04
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*** Setting CaCO3(S) phase to nonexistent:
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ROP_net = 0.000E+00
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ROP_forward = 0.000E+00
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ROP_reverse = 0.000E+00
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kfwd = 9.023E-07
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krev = 5.923E-04
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*** OK Setting CaO(S) phase to existent, CaCO3 nonexistent:
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ROP_net = 0.000E+00
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ROP_forward = 1.444E-08
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ROP_reverse = 1.444E-08
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kfwd = 9.023E-07
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krev = 5.923E-04
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*** Setting Gas phase to nonexistent, CaCO3 nonexistent:
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ROP_net = 0.000E+00
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ROP_forward = 0.000E+00
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ROP_reverse = 0.000E+00
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kfwd = 9.023E-07
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krev = 5.923E-04
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*** Setting to all phases existing:
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ROP_net = 8.878E-07
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ROP_forward = 9.023E-07
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ROP_reverse = 1.444E-08
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kfwd = 9.023E-07
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krev = 5.923E-04
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