Papers by Keyword: Chemical Reaction Kinetics

Abstract: Non-thermal plasma technique can be used to degrade radioactive liquid waste involving Tributylphosphate (TBP) producing in nuclear fuel reprocessing. The dissociation reaction caused by the collision of electrons with neutral molecules can generate active radicals which play a central role in removing TBP. And the electron reacting with vapor to generate OH radicals is the key reaction in removing TBP. A model is derived from the Boltzmann equation and molecule collision theory to predicate the dissociation reaction rate coefficients. Upon comparing with available literature, the model is confirmed to be acceptably accurate in general. Reaction rate coefficients of vapor dissociation in non-thermal plasma are derived according to the Arrhenius formula.

Abstract: The design idea and design flow of the simulation software on the complex reaction kinetics are introduced in this article. Firstly, the total framework of the software was determined by the goal and function of the software; Secondly, the manuscript was written, the multimedia material was made and the computational programs were designed, the examples of making multimedia material by Photoshop and Flash are introduced, moreover, the thinking and method of program is introduced; Finally, The material such as text, images, sounds, animation is integrated by Authorware. The simulation software has friendly interface and simple operation, it can be used as a computational tool in studying chemical kinetics, in addition, the software can be assisted in the teaching such as physical chemistry and reaction engineering.

Abstract: Abstract. Parallel reaction is a common reaction of chemical kinetics, and there are two types of parallel reactions according to the reaction orders equivalence: parallel reactions with same reaction orders and parallel reactions with different reaction orders. For the reason that the reaction orders are different, the chemical kinetic numerical computation and kinetic model parameters estimating of parallel reactions with different reaction orders is more complicated than parallel reactions with same reaction orders. In this paper, the 4th order Runge-Kutta method was employed to solve the numerical computation problems of complex ordinary differential equations, which was the chemical kinetic governing equations of parallel reactions with different reaction orders, and also, the Richardson extrapolation and Least Square Estimate were employed to estimate the kinetic model parameters of parallel reactions with different reaction orders. A C++ program has been processed to solve the problem and has been tested by an example of parallel reactions with different reaction orders.

Abstract: In this paper, a summary of Genetic Algorithm methods developed recent years applied in chemical reaction kinetics was presented. The applications of the Genetic Algorithm in reduction of the chemical reaction kinetics, estimation of the chemical kinetic parameters and calculation of the chemical kinetic equations were expounded here. Eventually, the confronted problem and developing trend of the application of Genetic Algorithm methods in chemical kinetics were reviewed.