Chemical equilibrium: Difference between revisions
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Created page with "''Some notes on chemical equilibrium calculations with ASCEND.'' ASCEND has FPROPS for high-accuracy calculation of thermodynamic properties, as well as http://ascend4...." |
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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. | ||
==See also=== | |||
* [https://www.grc.nasa.gov/WWW/CEAWeb/ceaguiDownload-unix.htm NASA CAEgui] includes thermo data and fortran source code | * [https://www.grc.nasa.gov/WWW/CEAWeb/ceaguiDownload-unix.htm NASA CAEgui] includes thermo data and fortran source code | ||
* [https://www.cantera.org/docs/sphinx/html/index.html Cantera] including [https://www.cantera.org/docs/sphinx/html/cxx-guide/equil-example.html example C++ code for chemical equilibrium] | * [https://www.cantera.org/docs/sphinx/html/index.html Cantera] including [https://www.cantera.org/docs/sphinx/html/cxx-guide/equil-example.html example C++ code for chemical equilibrium] | ||
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* [https://pypi.org/project/chempy/#chemical-equilibria ChemPy] includes chemical equilibria | * [https://pypi.org/project/chempy/#chemical-equilibria ChemPy] includes chemical equilibria | ||
* Self-contained Python examples from [https://tbc-python.fossee.in/convert-notebook/Physical_And_Chemical_Equilibrium_For_Chemical_Engineers/ch12.ipynb FOSSEE.in] | * Self-contained Python examples from [https://tbc-python.fossee.in/convert-notebook/Physical_And_Chemical_Equilibrium_For_Chemical_Engineers/ch12.ipynb FOSSEE.in] | ||
[[Category:Development]] | |||
Latest 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.
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