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[Test] Fix tests after updating report format
These regression tests include the output of ThermoPhase::report in the test comparison.
This commit is contained in:
Bryan W. Weber
committed by
Ray Speth
Ray Speth
parent
d185247529
commit
7e50b7e53b
@@ -242,71 +242,74 @@ Moles: 10
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MoltenSalt_electrolyte:
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temperature 625.15 K
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pressure 101325 Pa
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density 2041.98 kg/m^3
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mean mol. weight 52.0375 amu
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temperature 625.15 K
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pressure 1.0132e+05 Pa
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density 2042 kg/m^3
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mean mol. weight 52.037 kg/kmol
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phase of matter unspecified
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1 kg 1 kmol
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----------- ------------
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enthalpy -7.385e+06 -3.843e+08 J
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internal energy -7.3851e+06 -3.843e+08 J
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entropy 2476 1.288e+05 J/K
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Gibbs function -8.9329e+06 -4.648e+08 J
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heat capacity c_p 1331.7 6.93e+04 J/K
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heat capacity c_v 1171.9 6.098e+04 J/K
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1 kg 1 kmol
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--------------- ---------------
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enthalpy -7.385e+06 -3.843e+08 J
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internal energy -7.3851e+06 -3.843e+08 J
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entropy 2476 1.2885e+05 J/K
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Gibbs function -8.9329e+06 -4.6485e+08 J
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heat capacity c_p 1331.7 69298 J/K
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heat capacity c_v 1171.9 60983 J/K
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X Y Chem. Pot. / RT
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------------- ------------ ------------
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LiCl(L) 0.7 0.570224 -86.6013
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KCl(L) 0.3 0.429776 -96.0362
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mass frac. Y mole frac. X chem. pot. / RT
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--------------- --------------- ---------------
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LiCl(L) 0.57022 0.7 -86.601
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KCl(L) 0.42978 0.3 -96.036
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*************** Li7Si3_and_Interstitials(S) *****************
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Moles: 1
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Li7Si3_and_Interstitials(S):
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temperature 625.15 K
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pressure 101325 Pa
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density 1390 kg/m^3
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mean mol. weight 66.4175 amu
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temperature 625.15 K
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pressure 1.0132e+05 Pa
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density 1390 kg/m^3
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mean mol. weight 66.418 kg/kmol
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phase of matter unspecified
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1 kg 1 kmol
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----------- ------------
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enthalpy -2.5008e+06 -1.661e+08 J
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internal energy -2.501e+06 -1.661e+08 J
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entropy 6116.4 4.062e+05 J/K
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Gibbs function -6.3244e+06 -4.201e+08 J
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heat capacity c_p 4197.1 2.788e+05 J/K
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heat capacity c_v 4197.1 2.788e+05 J/K
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1 kg 1 kmol
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--------------- ---------------
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enthalpy -2.5008e+06 -1.6609e+08 J
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internal energy -2.501e+06 -1.6611e+08 J
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entropy 6116.4 4.0623e+05 J/K
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Gibbs function -6.3244e+06 -4.2005e+08 J
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heat capacity c_p 4197.1 2.7876e+05 J/K
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heat capacity c_v 4197.1 2.7876e+05 J/K
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X Y Chem. Pot. / RT
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------------- ------------ ------------
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Li7Si3(S) 0.5 1 -80.8306
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Li(i) 1.39773e-13 1.46049e-14 -31.8338
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V(i) 0.5 7.52814e-23 0.0172766
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mass frac. Y mole frac. X chem. pot. / RT
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--------------- --------------- ---------------
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Li7Si3(S) 1 0.5 -80.831
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Li(i) 1.4605e-14 1.3977e-13 -31.834
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V(i) 7.5281e-23 0.5 0.017277
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*************** LiFixed *****************
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Moles: 100.005
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LiFixed:
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temperature 625.15 K
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pressure 101325 Pa
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density 0.001 kg/m^3
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mean mol. weight 6.94 amu
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temperature 625.15 K
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pressure 1.0132e+05 Pa
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density 0.001 kg/m^3
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mean mol. weight 6.94 kg/kmol
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phase of matter unspecified
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1 kg 1 kmol
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----------- ------------
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enthalpy -2.3855e+07 -1.656e+08 J
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internal energy -1.2399e+14 -8.605e+14 J
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entropy 0 0 J/K
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Gibbs function -2.3855e+07 -1.656e+08 J
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heat capacity c_p 0 0 J/K
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heat capacity c_v 0 0 J/K
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1 kg 1 kmol
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--------------- ---------------
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enthalpy -2.3855e+07 -1.6556e+08 J
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internal energy -1.2399e+14 -8.6052e+14 J
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entropy 0 0 J/K
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Gibbs function -2.3855e+07 -1.6556e+08 J
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heat capacity c_p 0 0 J/K
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heat capacity c_v 0 0 J/K
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X Y Chem. Pot. / RT
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------------- ------------ ------------
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LiFixed 1 1 -31.8511
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mass frac. Y mole frac. X chem. pot. / RT
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--------------- --------------- ---------------
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LiFixed 1 1 -31.851
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@@ -481,71 +481,74 @@ Moles: 10
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MoltenSalt_electrolyte:
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temperature 625.15 K
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pressure 101325 Pa
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density 2041.98 kg/m^3
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mean mol. weight 52.0375 amu
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temperature 625.15 K
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pressure 1.0132e+05 Pa
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density 2042 kg/m^3
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mean mol. weight 52.037 kg/kmol
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phase of matter unspecified
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1 kg 1 kmol
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----------- ------------
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enthalpy -7.385e+06 -3.843e+08 J
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internal energy -7.3851e+06 -3.843e+08 J
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entropy 2476 1.288e+05 J/K
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Gibbs function -8.9329e+06 -4.648e+08 J
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heat capacity c_p 1331.7 6.93e+04 J/K
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heat capacity c_v 1171.9 6.098e+04 J/K
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1 kg 1 kmol
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--------------- ---------------
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enthalpy -7.385e+06 -3.843e+08 J
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internal energy -7.3851e+06 -3.843e+08 J
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entropy 2476 1.2885e+05 J/K
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Gibbs function -8.9329e+06 -4.6485e+08 J
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heat capacity c_p 1331.7 69298 J/K
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heat capacity c_v 1171.9 60983 J/K
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X Y Chem. Pot. / RT
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------------- ------------ ------------
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LiCl(L) 0.7 0.570224 -86.6013
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KCl(L) 0.3 0.429776 -96.0362
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mass frac. Y mole frac. X chem. pot. / RT
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--------------- --------------- ---------------
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LiCl(L) 0.57022 0.7 -86.601
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KCl(L) 0.42978 0.3 -96.036
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*************** Li7Si3_and_Interstitials(S) *****************
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Moles: 1
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Li7Si3_and_Interstitials(S):
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temperature 625.15 K
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pressure 101325 Pa
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density 1390 kg/m^3
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mean mol. weight 66.4175 amu
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temperature 625.15 K
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pressure 1.0132e+05 Pa
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density 1390 kg/m^3
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mean mol. weight 66.418 kg/kmol
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phase of matter unspecified
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1 kg 1 kmol
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----------- ------------
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enthalpy -2.5008e+06 -1.661e+08 J
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internal energy -2.501e+06 -1.661e+08 J
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entropy 6116.4 4.062e+05 J/K
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Gibbs function -6.3244e+06 -4.201e+08 J
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heat capacity c_p 4197.1 2.788e+05 J/K
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heat capacity c_v 4197.1 2.788e+05 J/K
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1 kg 1 kmol
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--------------- ---------------
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enthalpy -2.5008e+06 -1.6609e+08 J
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internal energy -2.501e+06 -1.6611e+08 J
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entropy 6116.4 4.0623e+05 J/K
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Gibbs function -6.3244e+06 -4.2005e+08 J
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heat capacity c_p 4197.1 2.7876e+05 J/K
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heat capacity c_v 4197.1 2.7876e+05 J/K
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X Y Chem. Pot. / RT
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------------- ------------ ------------
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Li7Si3(S) 0.5 1 -80.8306
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Li(i) 1.39773e-13 1.46049e-14 -31.8338
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V(i) 0.5 7.52814e-23 0.0172766
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mass frac. Y mole frac. X chem. pot. / RT
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--------------- --------------- ---------------
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Li7Si3(S) 1 0.5 -80.831
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Li(i) 1.4605e-14 1.3977e-13 -31.834
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V(i) 7.5281e-23 0.5 0.017277
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*************** LiFixed *****************
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Moles: 100.005
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LiFixed:
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temperature 625.15 K
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pressure 101325 Pa
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density 0.001 kg/m^3
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mean mol. weight 6.94 amu
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temperature 625.15 K
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pressure 1.0132e+05 Pa
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density 0.001 kg/m^3
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mean mol. weight 6.94 kg/kmol
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phase of matter unspecified
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1 kg 1 kmol
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----------- ------------
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enthalpy -2.3855e+07 -1.656e+08 J
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internal energy -1.2399e+14 -8.605e+14 J
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entropy 0 0 J/K
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Gibbs function -2.3855e+07 -1.656e+08 J
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heat capacity c_p 0 0 J/K
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heat capacity c_v 0 0 J/K
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1 kg 1 kmol
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--------------- ---------------
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enthalpy -2.3855e+07 -1.6556e+08 J
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internal energy -1.2399e+14 -8.6052e+14 J
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entropy 0 0 J/K
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Gibbs function -2.3855e+07 -1.6556e+08 J
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heat capacity c_p 0 0 J/K
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heat capacity c_v 0 0 J/K
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X Y Chem. Pot. / RT
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------------- ------------ ------------
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LiFixed 1 1 -31.8511
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mass frac. Y mole frac. X chem. pot. / RT
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--------------- --------------- ---------------
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LiFixed 1 1 -31.851
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@@ -345,52 +345,54 @@ Moles: 4.09717
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air:
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temperature 298.15 K
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pressure 101325 Pa
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density 1.13535 kg/m^3
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mean mol. weight 27.7769 amu
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temperature 298.15 K
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pressure 1.0132e+05 Pa
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density 1.1354 kg/m^3
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mean mol. weight 27.777 kg/kmol
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phase of matter unspecified
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1 kg 1 kmol
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----------- ------------
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enthalpy -2.0647e+05 -5.735e+06 J
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internal energy -2.9571e+05 -8.214e+06 J
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entropy 6929.3 1.925e+05 J/K
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Gibbs function -2.2725e+06 -6.312e+07 J
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heat capacity c_p 1052.3 2.923e+04 J/K
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heat capacity c_v 752.98 2.092e+04 J/K
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1 kg 1 kmol
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--------------- ---------------
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enthalpy -2.0647e+05 -5.735e+06 J
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internal energy -2.9571e+05 -8.214e+06 J
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entropy 6929.3 1.9248e+05 J/K
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Gibbs function -2.2725e+06 -6.3122e+07 J
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heat capacity c_p 1052.3 29230 J/K
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heat capacity c_v 752.98 20916 J/K
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X Y Chem. Pot. / RT
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------------- ------------ ------------
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O2 2.18343e-69 2.51524e-69 -182.771
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H2 4.57272e-08 3.3188e-09 -32.6178
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CO2 0 0
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H2O 0.0237156 0.015381 -124.003
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NaCl 9.76112e-33 2.05364e-32 -174.517
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N2 0.976284 0.984619 -23.0692
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OH 9.14543e-08 5.59949e-08 -107.694
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mass frac. Y mole frac. X chem. pot. / RT
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--------------- --------------- ---------------
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O2 2.5152e-69 2.1834e-69 -182.77
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H2 3.3188e-09 4.5727e-08 -32.618
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CO2 0 0
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H2O 0.015381 0.023716 -124
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NaCl 2.0536e-32 9.7611e-33 -174.52
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N2 0.98462 0.97628 -23.069
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OH 5.5995e-08 9.1454e-08 -107.69
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*************** NaCl(S) *****************
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Moles: 4.7877
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NaCl(S):
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temperature 298.15 K
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pressure 101325 Pa
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density 2165 kg/m^3
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mean mol. weight 58.4398 amu
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temperature 298.15 K
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pressure 1.0132e+05 Pa
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density 2165 kg/m^3
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mean mol. weight 58.44 kg/kmol
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phase of matter unspecified
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1 kg 1 kmol
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----------- ------------
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enthalpy -7.0349e+06 -4.111e+08 J
|
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internal energy -7.035e+06 -4.111e+08 J
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entropy 1233.9 7.211e+04 J/K
|
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Gibbs function -7.4028e+06 -4.326e+08 J
|
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heat capacity c_p 864.16 5.05e+04 J/K
|
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heat capacity c_v 864.16 5.05e+04 J/K
|
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1 kg 1 kmol
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--------------- ---------------
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enthalpy -7.0349e+06 -4.1112e+08 J
|
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internal energy -7.035e+06 -4.1112e+08 J
|
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entropy 1233.9 72109 J/K
|
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Gibbs function -7.4028e+06 -4.3262e+08 J
|
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heat capacity c_p 864.16 50501 J/K
|
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heat capacity c_v 864.16 50501 J/K
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|
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X Y Chem. Pot. / RT
|
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------------- ------------ ------------
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NaCl(S) 1 1 -174.517
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mass frac. Y mole frac. X chem. pot. / RT
|
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--------------- --------------- ---------------
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NaCl(S) 1 1 -174.52
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NUMBER OF SUCCESSES = 1
|
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NUMBER OF FAILURES = 0
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|
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@@ -1,64 +1,65 @@
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UserWarning: 'NasaPoly2::validate':
|
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For species SI2H6, discontinuity in h/RT detected at Tmid = 1000
|
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Value computed using low-temperature polynomial: 19.8328
|
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Value computed using high-temperature polynomial: 19.9055
|
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CanteraWarning: NasaPoly2::validate:
|
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For species SI2H6, discontinuity in h/RT detected at Tmid = 1000.0
|
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Value computed using low-temperature polynomial: 19.832788750000002
|
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Value computed using high-temperature polynomial: 19.905538027666665
|
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|
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UserWarning: 'NasaPoly2::validate':
|
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For species SI2H6, discontinuity in s/R detected at Tmid = 1000
|
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Value computed using low-temperature polynomial: 49.5493
|
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Value computed using high-temperature polynomial: 49.7214
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CanteraWarning: NasaPoly2::validate:
|
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For species SI2H6, discontinuity in s/R detected at Tmid = 1000.0
|
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Value computed using low-temperature polynomial: 49.54934633430382
|
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Value computed using high-temperature polynomial: 49.72144349849784
|
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|
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UserWarning: 'NasaPoly2::validate':
|
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For species SI3H8, discontinuity in h/RT detected at Tmid = 1000
|
||||
Value computed using low-temperature polynomial: 29.3028
|
||||
Value computed using high-temperature polynomial: 29.4297
|
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CanteraWarning: NasaPoly2::validate:
|
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For species SI3H8, discontinuity in h/RT detected at Tmid = 1000.0
|
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Value computed using low-temperature polynomial: 29.302814743333336
|
||||
Value computed using high-temperature polynomial: 29.429734298666666
|
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|
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UserWarning: 'NasaPoly2::validate':
|
||||
For species SI3H8, discontinuity in s/R detected at Tmid = 1000
|
||||
Value computed using low-temperature polynomial: 65.9731
|
||||
Value computed using high-temperature polynomial: 66.2781
|
||||
CanteraWarning: NasaPoly2::validate:
|
||||
For species SI3H8, discontinuity in s/R detected at Tmid = 1000.0
|
||||
Value computed using low-temperature polynomial: 65.97306778810605
|
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Value computed using high-temperature polynomial: 66.2781011692102
|
||||
|
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UserWarning: 'NasaPoly2::validate':
|
||||
For species SI2, discontinuity in h/RT detected at Tmid = 1000
|
||||
Value computed using low-temperature polynomial: 74.0115
|
||||
Value computed using high-temperature polynomial: 74.0387
|
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CanteraWarning: NasaPoly2::validate:
|
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For species SI2, discontinuity in h/RT detected at Tmid = 1000.0
|
||||
Value computed using low-temperature polynomial: 74.01147672
|
||||
Value computed using high-temperature polynomial: 74.0386547703
|
||||
|
||||
UserWarning: 'NasaPoly2::validate':
|
||||
For species SI2, discontinuity in s/R detected at Tmid = 1000
|
||||
Value computed using low-temperature polynomial: 32.8813
|
||||
Value computed using high-temperature polynomial: 32.9489
|
||||
CanteraWarning: NasaPoly2::validate:
|
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For species SI2, discontinuity in s/R detected at Tmid = 1000.0
|
||||
Value computed using low-temperature polynomial: 32.881299760183126
|
||||
Value computed using high-temperature polynomial: 32.94888061232226
|
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|
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|
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silane:
|
||||
|
||||
temperature 1500 K
|
||||
pressure 100 Pa
|
||||
density 1.8315e-05 kg/m^3
|
||||
mean mol. weight 2.28419 amu
|
||||
temperature 1500 K
|
||||
pressure 100 Pa
|
||||
density 1.8315e-05 kg/m^3
|
||||
mean mol. weight 2.2842 kg/kmol
|
||||
phase of matter unspecified
|
||||
|
||||
1 kg 1 kmol
|
||||
----------- ------------
|
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enthalpy 1.7016e+07 3.887e+07 J
|
||||
internal energy 1.1556e+07 2.64e+07 J
|
||||
entropy 1.0386e+05 2.372e+05 J/K
|
||||
Gibbs function -1.3878e+08 -3.17e+08 J
|
||||
heat capacity c_p 14161 3.235e+04 J/K
|
||||
heat capacity c_v 10521 2.403e+04 J/K
|
||||
1 kg 1 kmol
|
||||
--------------- ---------------
|
||||
enthalpy 1.7016e+07 3.8868e+07 J
|
||||
internal energy 1.1556e+07 2.6397e+07 J
|
||||
entropy 1.0386e+05 2.3724e+05 J/K
|
||||
Gibbs function -1.3878e+08 -3.1699e+08 J
|
||||
heat capacity c_p 14161 32347 J/K
|
||||
heat capacity c_v 10521 24032 J/K
|
||||
|
||||
X Y Chem. Pot. / RT
|
||||
------------- ------------ ------------
|
||||
H2 0.995395 0.878525 -25.5277
|
||||
H 0.000559189 0.000246767 -12.7639
|
||||
HE 0 0
|
||||
SIH4 1.05394e-07 1.48189e-06 -50.9842
|
||||
SI 0.00105469 0.0129678 0.0713036
|
||||
SIH 1.2607e-05 0.000160571 -12.6926
|
||||
SIH2 1.1852e-05 0.000156185 -25.4564
|
||||
SIH3 1.18896e-07 1.61928e-06 -38.2203
|
||||
H3SISIH 6.98642e-12 1.84134e-10 -50.9129
|
||||
SI2H6 1.66065e-14 4.52337e-13 -76.4406
|
||||
H2SISIH2 1.78387e-10 4.70157e-09 -50.9129
|
||||
SI3H8 6.98199e-21 2.82188e-19 -101.897
|
||||
SI2 0.000120384 0.00296033 0.142607
|
||||
SI3 0.00284607 0.104981 0.213911
|
||||
mass frac. Y mole frac. X chem. pot. / RT
|
||||
--------------- --------------- ---------------
|
||||
H2 0.87852 0.99539 -25.528
|
||||
H 0.00024677 0.00055919 -12.764
|
||||
HE 0 0
|
||||
SIH4 1.4819e-06 1.0539e-07 -50.984
|
||||
SI 0.012968 0.0010547 0.071304
|
||||
SIH 0.00016057 1.2607e-05 -12.693
|
||||
SIH2 0.00015619 1.1852e-05 -25.456
|
||||
SIH3 1.6193e-06 1.189e-07 -38.22
|
||||
H3SISIH 1.8413e-10 6.9864e-12 -50.913
|
||||
SI2H6 4.5234e-13 1.6606e-14 -76.441
|
||||
H2SISIH2 4.7016e-09 1.7839e-10 -50.913
|
||||
SI3H8 2.8219e-19 6.982e-21 -101.9
|
||||
SI2 0.0029603 0.00012038 0.14261
|
||||
SI3 0.10498 0.0028461 0.21391
|
||||
|
||||
|
||||
@@ -1,75 +1,76 @@
|
||||
|
||||
gri30_mix:
|
||||
|
||||
temperature 2288.59 K
|
||||
pressure 36960.8 Pa
|
||||
density 0.0529495 kg/m^3
|
||||
mean mol. weight 27.2598 amu
|
||||
temperature 2288.6 K
|
||||
pressure 36961 Pa
|
||||
density 0.05295 kg/m^3
|
||||
mean mol. weight 27.26 kg/kmol
|
||||
phase of matter unspecified
|
||||
|
||||
1 kg 1 kmol
|
||||
----------- ------------
|
||||
enthalpy -33317 -9.082e+05 J
|
||||
internal energy -7.3136e+05 -1.994e+07 J
|
||||
entropy 10281 2.803e+05 J/K
|
||||
Gibbs function -2.3562e+07 -6.423e+08 J
|
||||
heat capacity c_p 1518.3 4.139e+04 J/K
|
||||
heat capacity c_v 1213.3 3.307e+04 J/K
|
||||
1 kg 1 kmol
|
||||
--------------- ---------------
|
||||
enthalpy -33317 -9.0821e+05 J
|
||||
internal energy -7.3136e+05 -1.9937e+07 J
|
||||
entropy 10281 2.8026e+05 J/K
|
||||
Gibbs function -2.3562e+07 -6.423e+08 J
|
||||
heat capacity c_p 1518.3 41389 J/K
|
||||
heat capacity c_v 1213.3 33075 J/K
|
||||
|
||||
X Y Chem. Pot. / RT
|
||||
------------- ------------ ------------
|
||||
H2 0.00634887 0.000469531 -25.9845
|
||||
H 0.00120414 4.45261e-05 -12.9923
|
||||
O 0.000692919 0.00040668 -17.5375
|
||||
O2 0.00812669 0.00953926 -35.075
|
||||
OH 0.00534461 0.00333443 -30.5298
|
||||
H2O 0.177919 0.11758 -43.522
|
||||
HO2 7.12342e-07 8.625e-07 -48.0673
|
||||
H2O2 4.18996e-08 5.22812e-08 -61.0596
|
||||
C 1.66264e-16 7.3258e-17 -21.6172
|
||||
CH 1.67899e-17 8.01868e-18 -34.6094
|
||||
CH2 2.86985e-17 1.47673e-17 -47.6017
|
||||
CH2(S) 1.83746e-18 9.45495e-19 -47.6017
|
||||
CH3 1.0097e-16 5.56894e-17 -60.594
|
||||
CH4 2.84494e-17 1.67431e-17 -73.5862
|
||||
CO 0.0155284 0.0159558 -39.1547
|
||||
CO2 0.0782431 0.126318 -56.6922
|
||||
HCO 1.37909e-09 1.46804e-09 -52.1469
|
||||
CH2O 1.46215e-11 1.61053e-11 -65.1392
|
||||
CH2OH 4.20868e-17 4.79139e-17 -78.1315
|
||||
CH3O 7.04448e-19 8.01981e-19 -78.1315
|
||||
CH3OH 2.1532e-18 2.53094e-18 -91.1237
|
||||
C2H 1.6473e-23 1.51256e-23 -56.2266
|
||||
C2H2 1.98462e-21 1.89567e-21 -69.2188
|
||||
C2H3 1.32369e-26 1.31331e-26 -82.2111
|
||||
C2H4 7.65313e-27 7.87611e-27 -95.2034
|
||||
C2H5 7.31954e-32 7.80346e-32 -108.196
|
||||
C2H6 3.15103e-33 3.47587e-33 -121.188
|
||||
HCCO 1.07382e-19 1.61622e-19 -73.7641
|
||||
CH2CO 8.15513e-20 1.25759e-19 -86.7564
|
||||
HCCOH 9.75257e-23 1.50393e-22 -86.7564
|
||||
N 4.80886e-08 2.47095e-08 -14.3773
|
||||
NH 5.31196e-09 2.92589e-09 -27.3695
|
||||
NH2 1.3193e-09 7.75468e-10 -40.3618
|
||||
NH3 2.10686e-09 1.31629e-09 -53.3541
|
||||
NNH 8.71093e-10 9.27405e-10 -41.7468
|
||||
NO 0.00285875 0.00314675 -31.9148
|
||||
NO2 3.86805e-07 6.52793e-07 -49.4523
|
||||
N2O 9.11766e-08 1.47212e-07 -46.2921
|
||||
HNO 4.18474e-08 4.76107e-08 -44.9071
|
||||
CN 2.00153e-13 1.91035e-13 -35.9944
|
||||
HCN 2.90367e-11 2.87877e-11 -48.9867
|
||||
H2CN 7.81307e-18 8.03498e-18 -61.979
|
||||
HCNN 1.97109e-21 2.967e-21 -63.364
|
||||
HCNO 1.31371e-16 2.07347e-16 -66.5242
|
||||
HOCN 1.09532e-12 1.72878e-12 -66.5242
|
||||
HNCO 3.22019e-10 5.08253e-10 -66.5242
|
||||
NCO 2.33892e-11 3.6051e-11 -53.5319
|
||||
N2 0.703732 0.723203 -28.7546
|
||||
AR 0 0
|
||||
C3H7 1.94408e-47 3.07298e-47 -155.797
|
||||
C3H8 7.88404e-49 1.27537e-48 -168.79
|
||||
CH2CHO 3.0064e-25 4.7473e-25 -99.7486
|
||||
CH3CHO 3.59146e-26 5.80396e-26 -112.741
|
||||
mass frac. Y mole frac. X chem. pot. / RT
|
||||
--------------- --------------- ---------------
|
||||
H2 0.00046953 0.0063489 -25.985
|
||||
H 4.4526e-05 0.0012041 -12.992
|
||||
O 0.00040668 0.00069292 -17.538
|
||||
O2 0.0095393 0.0081267 -35.075
|
||||
OH 0.0033344 0.0053446 -30.53
|
||||
H2O 0.11758 0.17792 -43.522
|
||||
HO2 8.625e-07 7.1234e-07 -48.067
|
||||
H2O2 5.2281e-08 4.19e-08 -61.06
|
||||
C 7.3258e-17 1.6626e-16 -21.617
|
||||
CH 8.0187e-18 1.679e-17 -34.609
|
||||
CH2 1.4767e-17 2.8698e-17 -47.602
|
||||
CH2(S) 9.455e-19 1.8375e-18 -47.602
|
||||
CH3 5.5689e-17 1.0097e-16 -60.594
|
||||
CH4 1.6743e-17 2.8449e-17 -73.586
|
||||
CO 0.015956 0.015528 -39.155
|
||||
CO2 0.12632 0.078243 -56.692
|
||||
HCO 1.468e-09 1.3791e-09 -52.147
|
||||
CH2O 1.6105e-11 1.4622e-11 -65.139
|
||||
CH2OH 4.7914e-17 4.2087e-17 -78.131
|
||||
CH3O 8.0198e-19 7.0445e-19 -78.131
|
||||
CH3OH 2.5309e-18 2.1532e-18 -91.124
|
||||
C2H 1.5126e-23 1.6473e-23 -56.227
|
||||
C2H2 1.8957e-21 1.9846e-21 -69.219
|
||||
C2H3 1.3133e-26 1.3237e-26 -82.211
|
||||
C2H4 7.8761e-27 7.6531e-27 -95.203
|
||||
C2H5 7.8035e-32 7.3195e-32 -108.2
|
||||
C2H6 3.4759e-33 3.151e-33 -121.19
|
||||
HCCO 1.6162e-19 1.0738e-19 -73.764
|
||||
CH2CO 1.2576e-19 8.1551e-20 -86.756
|
||||
HCCOH 1.5039e-22 9.7526e-23 -86.756
|
||||
N 2.471e-08 4.8089e-08 -14.377
|
||||
NH 2.9259e-09 5.312e-09 -27.37
|
||||
NH2 7.7547e-10 1.3193e-09 -40.362
|
||||
NH3 1.3163e-09 2.1069e-09 -53.354
|
||||
NNH 9.2741e-10 8.7109e-10 -41.747
|
||||
NO 0.0031467 0.0028588 -31.915
|
||||
NO2 6.5279e-07 3.8681e-07 -49.452
|
||||
N2O 1.4721e-07 9.1177e-08 -46.292
|
||||
HNO 4.7611e-08 4.1847e-08 -44.907
|
||||
CN 1.9103e-13 2.0015e-13 -35.994
|
||||
HCN 2.8788e-11 2.9037e-11 -48.987
|
||||
H2CN 8.035e-18 7.8131e-18 -61.979
|
||||
HCNN 2.967e-21 1.9711e-21 -63.364
|
||||
HCNO 2.0735e-16 1.3137e-16 -66.524
|
||||
HOCN 1.7288e-12 1.0953e-12 -66.524
|
||||
HNCO 5.0825e-10 3.2202e-10 -66.524
|
||||
NCO 3.6051e-11 2.3389e-11 -53.532
|
||||
N2 0.7232 0.70373 -28.755
|
||||
AR 0 0
|
||||
C3H7 3.073e-47 1.9441e-47 -155.8
|
||||
C3H8 1.2754e-48 7.884e-49 -168.79
|
||||
CH2CHO 4.7473e-25 3.0064e-25 -99.749
|
||||
CH3CHO 5.804e-26 3.5915e-26 -112.74
|
||||
|
||||
|
||||
Reaction Forward ROP
|
||||
@@ -368,8 +369,8 @@
|
||||
CH2(S) + H2O => CH2O + H2 7.123667e-16
|
||||
C2H3 + O2 <=> CH2CHO + O 1.125713e-24
|
||||
C2H3 + O2 <=> C2H2 + HO2 1.317206e-25
|
||||
CH3CHO + O <=> CH2CHO + OH 3.546995e-25
|
||||
CH3CHO + O => CH3 + CO + OH 3.546995e-25
|
||||
CH3CHO + O <=> CH2CHO + OH 1.773497e-25
|
||||
CH3CHO + O => CH3 + CO + OH 1.773497e-25
|
||||
CH3CHO + O2 => CH3 + CO + HO2 2.653723e-27
|
||||
CH3CHO + H <=> CH2CHO + H2 1.329705e-24
|
||||
CH3CHO + H => CH3 + CO + H2 1.329705e-24
|
||||
|
||||
Reference in New Issue
Block a user