Computer Simulation of Opposing Reaction Kinetics
Huang, X.Z.
Liu, Y.
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How to Cite

Huang X., Liu Y., 2015, Computer Simulation of Opposing Reaction Kinetics, Chemical Engineering Transactions, 46, 115-120.
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Abstract

Firstly, based on the mass action law, the kinetics equation of the opposing reaction was established in the form of first-order ordinary differential equations and it was solved by the fourth order Runge-Kutta method to calculate the concentration of each substance at any time for the opposing reaction; Secondly, the equilibrium concentration of every substances can be calculated by chord secant method, the differential model of the reaction time on the change of the concentration of the substance was established and it was solved by Runge-Kutta method to calculate the equilibrium time; Finally, the software was developed by using VB programming tool and it can simulate the process of the opposing reaction in the form of graphics. The opposing liquid phase reaction was calculated and simulated as an example and the satisfactory calculation results were obtained. The software can be applied to assisted instruction in physical chemistry or chemical kinetics, and it can also be used as a calculation tool to study the opposing reaction kinetics.
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