Difference between revisions of "ESP Examples: Using Constrained Reaction Kinetics"

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Revision as of 09:25, 14 July 2016

Overview

The explanation of how to use reaction kinetics in ESP has been described in the OLI Engine Manual and in OLI Tips 51 .

Frequently a user wants to describe a chemical reaction in terms of reaction kinetics rather than equilibrium. The user may also want to constrain the reaction kinetics such that the forward and reverse rates of reaction do not exceed the limits placed on it by chemical equilibrium.

To briefly explain the procedure we first need to look at a generic equilibrium reaction: