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

Technical Report ·
DOI:https://doi.org/10.2172/1113874· OSTI ID:1113874
 [1];  [1];  [2]
  1. Sandia National Lab. (SNL-CA), Livermore, CA (United States)
  2. Johns Hopkins Univ., Baltimore, MD (United States)
+ Show Author Affiliations
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 Laboratories (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

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Related Subjects

97 MATHEMATICS AND COMPUTING