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Detailed kinetic mechanisms and CFD of reacting flows

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cfOpenSMOKE++ is a general framework for numerical simulations of reacting systems with detailed kinetic mechanisms, including thousands of chemical species and reactions. The framework is entirely written in object-oriented C++ and can be easily extended and customized by the user for specific systems, without having to modify the core functionality of the program. The OpenSMOKE++ framework can handle simulations of ideal chemical reactors (plug-flow, batch, and jet stirred reactors), shock-tubes, rapid compression machines, and can be easily incorporated into multi-dimensional CFD codes for the modeling of reacting flows. OpenSMOKE++ provides useful numerical tools such as the sensitivity and rate of production analyses, needed to recognize the main chemical paths and to interpret the numerical results from a kinetic point of view. Since simulations involving large kinetic mechanisms are very time consuming, OpenSMOKE++ adopts advanced numerical techniques able to reduce the computational cost, without sacrificing the accuracy and the robustness of the calculations.

In the present paper we give a detailed description of the framework features, the numerical models available, and the implementation of the code. The possibility of coupling the OpenSMOKE++ functionality with existing numerical codes is discussed. The computational performances of the framework are presented, and the capabilities of OpenSMOKE++ in terms of integration of stiff ODE systems are discussed and analyzed with special emphasis. Some examples demonstrating the ability of the OpenSMOKE++ framework to successfully manage large kinetic mechanisms are eventually presented.

Keywords

Detailed kinetics; Ideal reactor; Sensitivity analysis; Stiff ODE; Flame

 

How to cite

Cuoci, A., Frassoldati, A., Faravelli, T., Ranzi, E.

OpenSMOKE++: An object-oriented framework for the numerical modeling of reactive systems with detailed kinetic mechanisms

Computer Physics Communications, 192, pp. 237-264 (2015)

DOI: 10.1016/j.cpc.2015.02.014

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Team members

Eliseo Ranzi

Eliseo Ranzi

Full Professor
eliseo.ranzi@polimi.it
Tiziano Faravelli

Tiziano Faravelli

Full Professor
tiziano.faravelli@polimi.it
Alessio Frassoldati

Alessio Frassoldati

Associate Professor
alessio.frassoldati@polimi.it
Alberto Cuoci

Alberto Cuoci

Associate Professor
alberto.cuoci@polimi.it
Mattia Bissoli

Mattia Bissoli

Postdoc Researcher
mattia.bissoli@polimi.it
Alessandro Stagni

Alessandro Stagni

Postdoc Researcher
alessandro.stagni@polimi.it
Face Bagheri

Ghobad Bagheri

PhD Candidate
ghobad.bagheri@polimi.it
Face Bodor

Agnes Bodor

PhD Candidate
agneslivia.bodor@polimi.it
Paulo Eduardo Debiagi

Paulo Debiagi

PhD Candidate
pauloeduardo.debiagi@polimi.it
Giancarlo Gentile

Giancarlo Gentile

PhD Candidate
giancarlo.gentile@polimi.it
Face Pejpichestakul

W. Pejpichestakul

PhD Candidate
warumporn.pejpichestakul
Face Pelucchi

Matteo Pelucchi

PhD Candidate
matteo.pelucchi@polimi.it
Face Shamooni

Ali Shamooni

PhD Candidate
ali.shamooni@polimi.it
Isabella Branca

Isabella Branca

Administration Office
isabella.branca@polimi.it

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