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psthermo's Introduction

PSThermo

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"]

usage

For gases:

GasCp/GasEntropy/GasEnthalpy/Viscosity("Name", Temperature [K]) 

For solids:

SolidsCp/SolidsEntropy/SolidsEnthalpy("Name", Temperature [K]) 

And:

PSThermo.Mm("Name")

method

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.

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