SUPER-CRITICAL HYDROXILATION REACTION SIMULATION METHOD AND PROGRAM

摘要

PROBLEM TO BE SOLVED: To exactly and easily evaluate a status in the neighborhood of a solid surface related with reaction by using a computer in the simulation of oxidation reaction using super-critical water.

SOLUTION: A super-critical hydroxilation reaction simulation method comprises: a fluid calculation parameter setting step S1 for setting a fluid calculation parameter; a solid reaction model selection step S2 for selecting an appropriate solid reaction model from a plurality of solid reaction models; a solid reaction parameter setting step S3 for setting a solid reaction parameter to be used for the selected solid reaction model; a fluid calculation step S4 for performing fluid calculation based on the results of the fluid calculation parameter setting step S1, the solid reaction model selection step S2 and the solid reaction parameter setting step S3; and an output step S5 for outputting the result of the fluid calculation step.

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