| 摘要 |
The present invention relates to a system and method for generating a model for simulating systems of reacting species comprising receiving a plurality of reaction formulas, determining a reaction rate expression for each of the received reaction formulas, and generating a model for simulating systems of reacting species using the received reaction formulas and the determined reaction rate expressions. The present invention further relates to pruning the reaction list to deactivate one or more reactions in the reaction list based on one or more criteria, such as threshold criteria. A graphical user interface may be used in connection with the present invention in various ways such that the reaction formulas may be received via a graphical user interface, the generated model may be displayed on a graphical user interface, the determined reaction rate expression may be modified via a graphical user interface, the generated reaction list may be displayed in a graphical user interface, and the generated species list may be displayed in a graphical user interface. Also, an output based on the generated model may be displayed, wherein the output displays the composition and temperature dependence of the system of reacting species. In addition, material and energy balances may be generated for the reacting species as input to a solver of partial differential equations.
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