This is a simple package to calculate the thermo properties of pure substances.Basically for simulation for chemical looping reforming. Data are from nist webBook (http://webbook.nist.gov/)
Currently the vailabel gases are ["N2", "CO", "O2", "CH4", "Ar", "H2O", "CO2", "H2"]
available solids are ["Co3O4", "Cu", "CuO", "Ni", "Co", "Fe3O4", "FeO", "NiO", "MgAl2O4", "CoO", "Fe2O3", "Fe"]
For gases:
GasCp/GasEntropy/GasEnthalpy/Viscosity("Name", Temperature [K])
For solids:
SolidsCp/SolidsEntropy/SolidsEnthalpy("Name", Temperature [K])
And:
PSThermo.Mm("Name")
Heat capacity, Enthalpy, Entropy are calculated by
Cp° = (A + B*t + C*t2 + D*t3 + E/t2)*1E-3
H° − H°298.15= A*t + B*t2/2 + C*t3/3 + D*t4/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t2/2 + D*t3/3 − E/(2*t2) + G
Cp = heat capacity (KJ/mol*K)
H° = standard enthalpy (kJ/mol)
S° = standard entropy (J/mol*K)
t = temperature (K) / 1000.