![]() ![]() ![]() A computer-implemented method of modeling chemical reactions in a chemical reactor, the method comprising: i) representing reactor compounds by defining a set of homologous series of compounds in the reactor, each homologous series within the set comprising a molecular type and a carbon number, the carbon number having an upper bound and a lower bound range ii) defining a set of permissible reactions for the defined set of homologous series of compounds iii) defining properties of the reactor compounds iv) generating and locally-storing pre-estimated thermodynamic properties based on the defined set of homologous series of compounds v) automatically coding a set of reaction rate equations in equation-oriented format based on the defined set of homologous series of compounds, the defined set of permissible reactions, the defined properties of the reactor compounds, and the generated and locally-stored pre-estimated thermodynamic properties, the automatically coded set of reaction rate equations forming a model of chemical reactions in the chemical reactor.ΔΆ.
0 Comments
Leave a Reply. |