365 lines
20 KiB
Text
365 lines
20 KiB
Text
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Tutorial 1: Getting started
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gri30:
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temperature 300 K
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pressure 101325 Pa
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density 0.081889 kg/m^3
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mean mol. weight 2.01588 amu
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1 kg 1 kmol
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----------- ------------
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enthalpy 26470.1 5.336e+04 J
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internal energy -1.21088e+06 -2.441e+06 J
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entropy 64914 1.309e+05 J/K
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Gibbs function -1.94477e+07 -3.92e+07 J
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heat capacity c_p 14311.8 2.885e+04 J/K
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heat capacity c_v 10187.3 2.054e+04 J/K
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X Y Chem. Pot. / RT
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------------- ------------ ------------
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H2 1 1 -15.7173
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H 0 0
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O 0 0
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O2 0 0
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OH 0 0
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H2O 0 0
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HO2 0 0
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H2O2 0 0
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C 0 0
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CH 0 0
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CH2 0 0
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CH2(S) 0 0
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CH3 0 0
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CH4 0 0
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CO 0 0
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CO2 0 0
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HCO 0 0
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CH2O 0 0
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CH2OH 0 0
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CH3O 0 0
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CH3OH 0 0
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C2H 0 0
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C2H2 0 0
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C2H3 0 0
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C2H4 0 0
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C2H5 0 0
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C2H6 0 0
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HCCO 0 0
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CH2CO 0 0
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HCCOH 0 0
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N 0 0
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NH 0 0
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NH2 0 0
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NH3 0 0
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NNH 0 0
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NO 0 0
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NO2 0 0
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N2O 0 0
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HNO 0 0
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CN 0 0
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HCN 0 0
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H2CN 0 0
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HCNN 0 0
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HCNO 0 0
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HOCN 0 0
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HNCO 0 0
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NCO 0 0
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N2 0 0
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AR 0 0
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C3H7 0 0
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C3H8 0 0
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CH2CHO 0 0
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CH3CHO 0 0
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gri30:
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temperature 1200 K
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pressure 405300 Pa
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density 0.081889 kg/m^3
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mean mol. weight 2.01588 amu
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1 kg 1 kmol
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----------- ------------
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enthalpy 1.32956e+07 2.68e+07 J
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internal energy 8.3462e+06 1.682e+07 J
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entropy 79509.9 1.603e+05 J/K
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Gibbs function -8.21163e+07 -1.655e+08 J
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heat capacity c_p 15377.9 3.1e+04 J/K
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heat capacity c_v 11253.5 2.269e+04 J/K
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X Y Chem. Pot. / RT
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------------- ------------ ------------
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H2 1 1 -16.5912
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H 0 0
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O 0 0
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O2 0 0
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OH 0 0
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H2O 0 0
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HO2 0 0
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H2O2 0 0
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C 0 0
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CH 0 0
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CH2 0 0
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CH2(S) 0 0
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CH3 0 0
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CH4 0 0
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CO 0 0
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CO2 0 0
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HCO 0 0
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CH2O 0 0
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CH2OH 0 0
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CH3O 0 0
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CH3OH 0 0
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C2H 0 0
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C2H2 0 0
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C2H3 0 0
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C2H4 0 0
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C2H5 0 0
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C2H6 0 0
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HCCO 0 0
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CH2CO 0 0
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HCCOH 0 0
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N 0 0
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NH 0 0
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NH2 0 0
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NH3 0 0
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NNH 0 0
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NO 0 0
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NO2 0 0
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N2O 0 0
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HNO 0 0
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CN 0 0
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HCN 0 0
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H2CN 0 0
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HCNN 0 0
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HCNO 0 0
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HOCN 0 0
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HNCO 0 0
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NCO 0 0
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N2 0 0
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AR 0 0
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C3H7 0 0
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C3H8 0 0
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CH2CHO 0 0
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CH3CHO 0 0
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gri30:
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temperature 900 K
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pressure 100000 Pa
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density 0.369279 kg/m^3
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mean mol. weight 27.6332 amu
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1 kg 1 kmol
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----------- ------------
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enthalpy 455660 1.259e+07 J
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internal energy 184862 5.108e+06 J
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entropy 8529.31 2.357e+05 J/K
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Gibbs function -7.22072e+06 -1.995e+08 J
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heat capacity c_p 1304.4 3.604e+04 J/K
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heat capacity c_v 1003.52 2.773e+04 J/K
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X Y Chem. Pot. / RT
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------------- ------------ ------------
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H2 0 0
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H 0 0
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O 0 0
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O2 0.190114 0.220149 -27.9596
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OH 0 0
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H2O 0 0
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HO2 0 0
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H2O2 0 0
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C 0 0
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CH 0 0
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CH2 0 0
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CH2(S) 0 0
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CH3 0 0
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CH4 0.095057 0.0551863 -37.0813
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CO 0 0
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CO2 0 0
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HCO 0 0
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CH2O 0 0
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CH2OH 0 0
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CH3O 0 0
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CH3OH 0 0
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C2H 0 0
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C2H2 0 0
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C2H3 0 0
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C2H4 0 0
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C2H5 0 0
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C2H6 0 0
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HCCO 0 0
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CH2CO 0 0
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HCCOH 0 0
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N 0 0
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NH 0 0
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NH2 0 0
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NH3 0 0
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NNH 0 0
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NO 0 0
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NO2 0 0
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N2O 0 0
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HNO 0 0
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CN 0 0
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HCN 0 0
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H2CN 0 0
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HCNN 0 0
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HCNO 0 0
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HOCN 0 0
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HNCO 0 0
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NCO 0 0
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N2 0.714829 0.724665 -24.935
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AR 0 0
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C3H7 0 0
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C3H8 0 0
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CH2CHO 0 0
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CH3CHO 0 0
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gri30:
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temperature 1235.23 K
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pressure 193934 Pa
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density 0.545252 kg/m^3
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mean mol. weight 28.8752 amu
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1 kg 1 kmol
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----------- ------------
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enthalpy 5.56724e+06 1.608e+08 J
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internal energy 5.21156e+06 1.505e+08 J
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entropy 10866.6 3.138e+05 J/K
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Gibbs function -7.85549e+06 -2.268e+08 J
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heat capacity c_p 2258.12 6.52e+04 J/K
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heat capacity c_v 1970.18 5.689e+04 J/K
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X Y Chem. Pot. / RT
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------------- ------------ ------------
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H2 0.0188679 0.00131724 -21.3768
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H 0.0188679 0.000658618 2.45072
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O 0.0188679 0.0104545 -0.130267
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O2 0.0188679 0.020909 -30.495
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OH 0.0188679 0.0111131 -23.9578
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H2O 0.0188679 0.0117717 -52.4329
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HO2 0.0188679 0.0215676 -32.8359
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H2O2 0.0188679 0.0222262 -48.7862
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C 0.0188679 0.00784834 45.7869
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CH 0.0188679 0.00850696 30.4521
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CH2 0.0188679 0.00916558 8.43598
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CH2(S) 0.0188679 0.00916558 12.8299
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CH3 0.0188679 0.0098242 -16.0065
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CH4 0.0188679 0.0104828 -36.8745
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CO 0.0188679 0.0183028 -40.2646
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CO2 0.0188679 0.0287573 -70.9103
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HCO 0.0188679 0.0189614 -29.3505
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CH2O 0.0188679 0.0196201 -43.7869
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CH2OH 0.0188679 0.0202787 -38.854
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CH3O 0.0188679 0.0202787 -33.4663
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CH3OH 0.0188679 0.0209373 -56.6067
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C2H 0.0188679 0.0163553 22.4849
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C2H2 0.0188679 0.0170139 -9.62065
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C2H3 0.0188679 0.0176725 -6.88586
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C2H4 0.0188679 0.0183312 -29.6415
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C2H5 0.0188679 0.0189898 -27.3078
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C2H6 0.0188679 0.0196484 -45.4153
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HCCO 0.0188679 0.0268098 -20.3438
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CH2CO 0.0188679 0.0274684 -42.3074
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HCCOH 0.0188679 0.0274684 -29.6958
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N 0.0188679 0.00915242 22.608
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NH 0.0188679 0.00981104 7.2794
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NH2 0.0188679 0.0104697 -11.0016
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NH3 0.0188679 0.0111283 -34.4022
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NNH 0.0188679 0.0189635 -9.19194
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NO 0.0188679 0.0196069 -22.2473
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NO2 0.0188679 0.0300614 -32.3728
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N2O 0.0188679 0.0287593 -25.4986
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HNO 0.0188679 0.0202655 -22.6121
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CN 0.0188679 0.0170008 12.6004
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HCN 0.0188679 0.0176594 -18.1967
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H2CN 0.0188679 0.018318 -10.0875
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HCNN 0.0188679 0.0268118 6.88522
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HCNO 0.0188679 0.0281139 -20.4444
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HOCN 0.0188679 0.0281139 -37.9279
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HNCO 0.0188679 0.0281139 -48.2213
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NCO 0.0188679 0.0274552 -22.1878
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N2 0.0188679 0.0183048 -28.7463
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AR 0.0188679 0.0261032 -23.5881
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C3H7 0.0188679 0.0281554 -36.9365
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C3H8 0.0188679 0.028814 -55.0607
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CH2CHO 0.0188679 0.028127 -38.8293
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CH3CHO 0.0188679 0.0287856 -57.467
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gri30:
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temperature 1235.23 K
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pressure 368222 Pa
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density 0.545252 kg/m^3
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mean mol. weight 15.2079 amu
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1 kg 1 kmol
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----------- ------------
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enthalpy 1.26294e+07 1.921e+08 J
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internal energy 1.19541e+07 1.818e+08 J
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entropy 15645.4 2.379e+05 J/K
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Gibbs function -6.69611e+06 -1.018e+08 J
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heat capacity c_p 2918.61 4.439e+04 J/K
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heat capacity c_v 2371.89 3.607e+04 J/K
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X Y Chem. Pot. / RT
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------------- ------------ ------------
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H2 0.14234 0.0188679 -18.7148
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H 0.284681 0.0188679 5.8058
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O 0.0179345 0.0188679 0.460166
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O2 0.00896725 0.0188679 -30.5977
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OH 0.0168716 0.0188679 -23.4285
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H2O 0.0159277 0.0188679 -51.9612
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HO2 0.00869341 0.0188679 -32.9696
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H2O2 0.0084358 0.0188679 -48.95
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C 0.0238899 0.0188679 46.664
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CH 0.0220403 0.0188679 31.2487
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CH2 0.0204565 0.0188679 9.15798
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CH2(S) 0.0204565 0.0188679 13.5519
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CH3 0.0190851 0.0188679 -15.3539
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CH4 0.017886 0.0188679 -36.2868
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CO 0.0102441 0.0188679 -40.2341
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CO2 0.00651994 0.0188679 -71.3318
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HCO 0.00988827 0.0188679 -29.3554
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CH2O 0.00955633 0.0188679 -43.8259
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CH2OH 0.00924596 0.0188679 -38.9261
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CH3O 0.00924596 0.0188679 -33.5384
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CH3OH 0.00895511 0.0188679 -56.7108
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C2H 0.0114639 0.0188679 22.6278
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C2H2 0.0110201 0.0188679 -9.51722
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C2H3 0.0106094 0.0188679 -6.8204
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C2H4 0.0102283 0.0188679 -29.6127
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C2H5 0.00987352 0.0188679 -27.3142
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C2H6 0.00954255 0.0188679 -45.4558
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HCCO 0.00699356 0.0188679 -20.6951
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CH2CO 0.00682587 0.0188679 -42.6829
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HCCOH 0.00682587 0.0188679 -30.0714
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N 0.0204859 0.0188679 23.3314
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NH 0.0191107 0.0188679 7.93336
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NH2 0.0179085 0.0188679 -10.4126
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NH3 0.0168486 0.0188679 -33.8742
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NNH 0.00988722 0.0188679 -9.19699
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NO 0.00956275 0.0188679 -22.2857
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NO2 0.0062371 0.0188679 -32.8386
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N2O 0.00651948 0.0188679 -25.9201
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HNO 0.00925196 0.0188679 -22.6835
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CN 0.0110287 0.0188679 12.7046
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HCN 0.0106174 0.0188679 -18.1305
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H2CN 0.0102356 0.0188679 -10.0579
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HCNN 0.00699304 0.0188679 6.53384
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HCNO 0.00666916 0.0188679 -20.8432
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HOCN 0.00666916 0.0188679 -38.3267
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HNCO 0.00666916 0.0188679 -48.6201
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NCO 0.00682915 0.0188679 -22.5629
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N2 0.010243 0.0188679 -28.716
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AR 0.00718287 0.0188679 -23.9127
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C3H7 0.00665933 0.0188679 -37.3368
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C3H8 0.00650712 0.0188679 -55.4841
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CH2CHO 0.00666604 0.0188679 -39.2286
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CH3CHO 0.00651352 0.0188679 -57.8894
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