TChem - A Software Toolkit for the Analysis of Complex Kinetic Models

Technical Report · Sun May 01 00:00:00 EDT 2011

DOI:https://doi.org/10.2172/1113874· OSTI ID:1113874

Safta, Cosmin ^[1]; Najm, Habib N. ^[1]; Knio, Omar ^[2]

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1. Sandia National Lab. (SNL-CA), Livermore, CA (United States)
2. Johns Hopkins Univ., Baltimore, MD (United States)

The TChem toolkit is a software library that enables numerical simulations using complex chemistry and facilitates the analysis of detailed kinetic models. The toolkit provide capabilities for thermodynamic properties based on NASA polynomials and species production/consumption rates. It incorporates methods that can selectively modify reaction parameters for sensitivity analysis. The library contains several functions that provide analytically computed Jacobian matrices necessary for the efficient time advancement and analysis of detailed kinetic models.

• Research Organization: Sandia National Lab. (SNL-CA), Livermore, CA (United States)
• Sponsoring Organization: USDOE National Nuclear Security Administration (NNSA)
• DOE Contract Number: AC04-94AL85000
• OSTI ID: 1113874
• Report Number(s): SAND2011-3282; 470153
• Country of Publication: United States
• Language: English

Related Subjects

97 MATHEMATICS AND COMPUTING