Patent ID: 8219373

Claim:
A method executed in a computer system including one or more processors and a computer-readable memory, the method comprising: generating a model for simulating one or more systems of reacting species, wherein generating the model includes the acts of maintaining a list of reaction formulas and at least one selected from the group consisting of a list of reaction rates, a list of species, a list of mass balances, and an energy balance, wherein the at least one of the list of reaction formulas, the list of reaction rates, the list of mass balances, or the energy balance is stored as one or more editable expressions on the computer-readable memory or in a non-transitory computer-readable medium associated with the computer system; receiving a reaction formula, the reaction formula being associated with at least one species; after receiving the reaction formula, automatically adding the received reaction formula to the list of reaction formulas and automatically updating, using at least one of the one or more processors, the list of species to include species added by the received reaction formula; automatically deriving, using at least one of the one or more processors, a reaction rate expression associated with the received reaction formula; and automatically updating, using at least one of the one or more processors, the list of mass balances and the energy balance describing the system of reacting species, the automatic updating based on the received reaction formula, the added species, and the derived reaction rate expression, wherein the acts of generating the model are implemented prior to transmitting representations of the updated mass balances and energy balance to a solver.