Programs in Physics & Physical Chemistry
|[Licence| Download | New Version Template] aevy_v1_0.tar.gz(4775 Kbytes)|
|Manuscript Title: OpenSMOKE++: An object-oriented framework for the numerical modeling of reactive systems with detailed kinetic mechanisms.|
|Authors: A. Cuoci, A. Frassoldati, T. Faravelli, E. Ranzi|
|Program title: OpenSMOKE++|
|Catalogue identifier: AEVY_v1_0|
Distribution format: tar.gz
|Journal reference: Comput. Phys. Commun. 192(2015)237|
|Programming language: C++.|
|Computer: Any computer that can run a C++ Compiler.|
|Operating system: Tested on Microsoft Windows 7, Ubuntu 14.4.|
|RAM: From a few Mb to several Gb depending on the size of the system being simulated.|
|Keywords: Detailed kinetics, Ideal reactor, Sensitivity analysis, Stiff ODE, Flame.|
External routines: Eigen, Boost C++ Libraries, RapidXML
Nature of problem:
Evolution of reacting gas mixtures with detailed description of thermodynamic, kinetic and transport data.
Stiff systems of Ordinary differential Equations, whose solution is obtained using methods based on the Backward Differentiation Formulas (BDF) (LU factorization of dense matrices is required).
The code was specifically conceived for managing homogeneous, reacting mixtures including thousands of species and reactions.
Problem-dependent, from seconds (small kinetics) to hours (large kinetics).
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