Chemical equilibrium

Some notes on chemical equilibrium calculations with ASCEND.

ASCEND has FPROPS for high-accuracy calculation of thermodynamic properties, as well as [own thermodynamics models] using relatively simple equations.

Work is required to enrich these features and make chemical equilibrium reaction calculations easy and straightforward, with additional example models.

Links:

• NASA CAEgui includes thermo data and fortran source code
• Cantera including example C++ code for chemical equilibrium
• Modelica Library of Chemical Processes and associated paper
• ChemPy includes chemical equilibria
• Self-contained Python examples from FOSSEE.in