Chemical equilibrium: Difference between revisions
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''Some notes on chemical equilibrium calculations with ASCEND.'' | ''Some notes on chemical equilibrium calculations with ASCEND.'' | ||
ASCEND has [[FPROPS]] for high-accuracy calculation of thermodynamic properties, as well as [[ | ASCEND has [[FPROPS]] for high-accuracy calculation of thermodynamic properties, as well as [[Thermodynamics with ASCEND|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. | Work is required to enrich these features and make chemical equilibrium reaction calculations easy and straightforward, with additional example models. | ||
Revision as of 05:12, 16 June 2018
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.
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