OpenSMOKE++
OpenSMOKE++: An object-oriented framework for the numerical modeling of reactive systems with detailed kinetic mechanisms. OpenSMOKE++ 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.
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References in zbMATH (referenced in 5 articles )
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Sorted by year (- Dalili, Alireza; Brunson, Jordan D.; Guo, Songtao; Turello, Massimiliano; Pizzetti, Fabio; Badiali, Lucia; Avedisian, Charles T.; Seshadri, Kalyanasundaram; Cuoci, Alberto; Williams, Forman A.; Frassoldati, Alessio; Hicks, Michael C.: The role of composition in the combustion of n-heptane/iso-butanol mixtures: experiments and detailed modelling (2020)
- Solmaz, Evrim; Bisetti, Fabrizio: Flamelet chemistry model for efficient axisymmetric counterflow flame simulations with realistic nozzle geometries and gravitational body force (2020)
- Udit Gupta; Dionisios G. Vlachos: Reaction Network Viewer ReNView (2020) not zbMATH
- Frassoldati, Alessio; Cuoci, Alberto; Stagni, Alessandro; Faravelli, Tiziano; Ranzi, Eliseo: Skeletal kinetic mechanism for diesel combustion (2017)
- Mairinger, Gerald; Frassoldati, Alessio; Gehmlich, Ryan; Niemann, Ulrich; Stagni, Alessandro; Ranzi, Eliseo; Seshadri, Kalyanasundaram: Autoignition of condensed hydrocarbon fuels in non-premixed flows at elevated pressures (2016)