Monte Carlo Simulation of First-Order Diffusion-Limited Reaction within Three-Dimensional Porous Pellets  

作　　者：郭向云 and F.J.Keil 

机构地区：[1]State Key Laboratory of Coal Conversion, Institute of Coal Chemistry, Chinese Academy of Sciences, Taiyuan 030001, China [2]Hamburg University of Technology, Chemical Reaction Engineering, Eissendorfer Str. 38, D-21071, Hamburg,Germany

出　　处：《Chinese Journal of Chemical Engineering》2003年第4期472-476,共5页中国化学工程学报（英文版）

摘　　要：The Monte Carlo method was employed to simulate diffusion and reaction processes within three-dimensional porous catalyst pellets. The porous pellets used were represented by a Menger sponge and a uniform-pore structure respectively. Results obtained from the fractal pellet showed an intermediate low-slope asymptote in the logarithmic plot of reaction rate and reaction probability. However, the low-slope one did not appear when the reaction occurred within the uniform pellet. Moreover, it was certified that the fractal structure not only generated a new asymptote, but also reduced diffusion resistance of reactants and products.The Monte Carlo method was employed to simulate diffusion and reaction processes within three-dimensional porous catalyst pellets. The porous pellets used were represented by a Menger sponge and a uniform-pore structure respectively. Results obtained from the fractal pellet showed an intermediate low-slope asymptote in the logarithmic plot of reaction rate and reaction probability. However, the low-slope one did not appear when the reaction occurred within the uniform pellet. Moreover, it was certified that the fractal structure not only generated a new asymptote, but also reduced diffusion resistance of reactants and products.

关 键 词：Monte Carlo method REACTION-DIFFUSION fractal structure low-slope asymptote concentration distribution 

分 类 号：TQ021[化学工程]