Numerical simulations of chemical reaction kinetics based on Simple Collision Theory
Tian Zhou
Abstract
Tian Zhou
Abstract
It is of great significance to find the appropriate and effective numerical simulation method for the research of more and more complex chemical reaction kinetics.Based on the Simple Collision Theory(SCT),an accurate and efficient numerical simulation for chemical kinetic equations was obtained.The method is convenient for simulation programme,which is stable and has a high precision.It is similar to the mechanism of chemical kinetics,and can reveal the process of chemical kinetics.The n order reaction,consecutive reaction and comprehensive reaction were simulated by this method.The comparison of the simulation result and the chemical reaction solutions shows that the relative error between them is less than 0.5%.
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It is of great significance to find the appropriate and effective numerical simulation method for the research of more and more complex chemical reaction kinetics.Based on the Simple Collision Theory(SCT),an accurate and efficient numerical simulation for chemical kinetic equations was obtained.The method is convenient for simulation programme,which is stable and has a high precision.It is similar to the mechanism of chemical kinetics,and can reveal the process of chemical kinetics.The n order reaction,consecutive reaction and comprehensive reaction were simulated by this method.The comparison of the simulation result and the chemical reaction solutions shows that the relative error between them is less than 0.5%.
Key concepts: Chemical kinetics, Kinetics, Chemical reaction, Simple (philosophy), Collision, Computer simulation, Chemical reaction kinetics, Collision theory