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Thermo chemkin format6/13/2023 ![]() It also has capabilities for estimating transport and solvation properties, and it automatically computes pressure-dependent rate coefficients and identifies chemically-activated reaction paths. RMG can generate reaction mechanisms for species involving carbon, hydrogen, oxygen, sulfur, and nitrogen. ![]() ![]() Models are generated using a rate-based algorithm which excludes species from the model based on reaction fluxes. Graphs are used to represent chemical structures, and trees are used to represent thermodynamic and kinetic data. At its core, RMG relies on two fundamental data structures: graphs and trees. Species thermochemistry is estimated through Benson group additivity and reaction rate coefficients are estimated using a database of known rate rules and reaction templates. Reaction Mechanism Generator (RMG) constructs kinetic models composed of elementary chemical reaction steps using a general understanding of how molecules react.
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