TChem

Software · Tue May 24 00:00:00 EDT 2011

OSTI ID:1231494

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 and consumption rates. It incorporates methods that can selectively modify reaction parameters for sensitivity analysis and uncertainty quantification. The library also contains several functions that provide analytically computed Jacobian matrices necessary for the efficient time advancement and analysis of detailed kinetic models.

• Short Name / Acronym: TCHEM v.0.1; 002696MLTPL00
• Version: 00
• Programming Language(s): Medium: X; OS: Unix/Linux/Mac OS; Compatibility: Multiplatform
• Research Organization: Sandia National Laboratories (SNL), Albuquerque, NM, and Livermore, CA (United States)
• Sponsoring Organization: USDOE
• Contributing Organization: Cosmin Safta, Habib Najm, Omar Knio
• DOE Contract Number: AC04-94AL85000
• OSTI ID: 1231494
• Country of Origin: United States