Chemical equilibrium
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Some notes on chemical equilibrium calculations with ASCEND.
ASCEND has FPROPS for high-accuracy calculation of thermodynamic properties, as well as its 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.
See also=
- 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