TChem v3.0: A Software Toolkit for the Analysis of Complex Kinetic Models

Technical Report · 01 November 2021

DOI:https://doi.org/10.2172/1829197· OSTI ID:1829197

Kim, Kyungjoo ^[1]; Diaz-Ibarra, Oscar ^[2]; Najm, Habib ^[3]; Safta, Cosmin ^[3]

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1. Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
2. Sandia National Laboratories (SNL), Albuquerque, NM, and Livermore, CA (United States)
3. Sandia National Lab. (SNL-CA), Livermore, CA (United States)

The TChem open-source software is a toolkit for computing thermodynamic properties, source term, and source term’s Jacobian matrix for chemical kinetic models that involve gas and surface reactions.

• Research Organization: Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES)
• DOE Contract Number: NA0003525
• OSTI ID: 1829197
• Report Number(s): SAND2021-14064; 701366
• Country of Publication: United States
• Language: English

Related Subjects

97 MATHEMATICS AND COMPUTING
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY