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

Cosmin Safta | Zendy; Habib N. Najm | Zendy; Omar Knio | Zendy

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

Author(s) -

Cosmin Safta,

Habib N. Najm,

Omar Knio

Publication year - 2011

Publication title -

osti oai (u.s. department of energy office of scientific and technical information)

Language(s) - English

Resource type - Reports

DOI - 10.2172/1113874

Subject(s) - jacobian matrix and determinant , software , sensitivity (control systems) , kinetic energy , computer science , computational science , algorithm , programming language , mathematics , engineering , physics , quantum mechanics , electronic engineering

The TChem toolkit is a software library that enables numerica l simulations using complex chemistry and facilitates the analysis of detailed kinetic mode ls. 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 analytica lly computed Jacobian matrices necessary for the efficient time advancement and analysis of detailed k inetic models.

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