Solution and Computer Simulation of Complex Linear Reaction Kinetics
Huang, Xuezheng
Wang, Shuang
Tai, Mingqing
Zhang, Lei
Li, Yannan
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How to Cite

Huang X., Wang S., Tai M., Zhang L., Li Y., 2017, Solution and Computer Simulation of Complex Linear Reaction Kinetics , Chemical Engineering Transactions, 59, 583-588.
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Abstract

Firstly, the kinetic equations of the complex linear reaction were established in the form of first-order ordinary differential equations according to the mass action law, by using the similarity transformation method of reaction rate constant matrix, the kinetic equations of the complex linear reaction were transformed from the coupling form to the uncoupled form, and the analytical solution was obtained; Secondly, the software was designed to calculate the complex linear reaction kinetics by using VB programming tool. The software can not only be used to calculate the concentration of each substance at any time for the complex linear reaction, but also has the plotting function so that it can simulate the process of the reaction vividly; In the end, the kinetics of reductive dechlorination and elimination of chlorinated ethene and 1-butene isomerization were calculated by the software, and the satisfactory results were obtained. The calculation results can guide us in the design, operation and control of the industrial device in chemical production. Software is also can be used as a computational tool in studying the kinetics of the complex linear reaction especially lumping reaction.
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