Chem. J. Chinese Universities ›› 1988, Vol. 9 ›› Issue (8): 866.

• Articles • Previous Articles    

The Monte Carlo Simulation of Iodide-Catalyzed H2O2-BAT Reaction

Wang Kemin, Yu Ruqin   

  1. Department of Chemistry and Chemical Engineering, Hunan University, Changsha
  • Received:1987-01-20 Online:1988-08-24 Published:1988-08-24

Abstract: Monte Carlo method was used for computer simulation of the possible reaction route of the iodide-catalyzed H2O2-BATreaction. For the simulation of the effective collision between the reactant and catalyst particles, some additional hypotheses were proposed and a new Monte Carlo simulation algorithm was worked out. The algorithm can provide useful information for probing the schemes of this type of reaction.

Key words: Monte Carlo simulation, Catalytic reaction, Reaction schemes

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