自然科学版 英文版
自然科学版 英文版
自然科学版 英文版

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中南大学学报(英文版)

Journal of Central South University

Vol. 13    No. 4    August 2006

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Estimation of kinetics parameters in Beckmann rearrangement of
cyclohexanone oxime using genetic algorithm
WU Jian(吴 剑)1, 2,LI Zhong(李 忠)1,LUO He-an(罗和安)2

1. Research Institute of Chemical Engineering, South China University of Technology,
Guangzhou 510640, China;
2. College of Chemical Engineering, Xiangtan University, Xiangtan 411105, China

Abstract:Beckmann rearrangement mechanism of cyclohexanone oxime, based on the characteristic of self-cata-lyzed reaction and polymorphism was proposed. According to the suggested mechanism, the basic approach was the rearrangement of OXHwhile the SO3 acts as dehydrating agent and OXSO3 can turn to CPLSO3 ultimately. Considering self-catalyzed reaction between OXSO3 and CPLH+, kinetic model for Beckmann rearrangement was established. Corresponding parameters were estimated by using float genetic algorithm (GA) and simulation results agree well with the experimental data below -19.3℃. Industrial equipment was simulated and analyzed. Effects of key process parameters such as molar ratio of sulfuric acid to oxime and circulation ratio on the residual oxime are also discussed. The results show that the caprolactam exists as CPLH+ finally in oleum and the minimum molecular ratio of sulfuric acid to oxime can be 0.5 theoretically.

 

Key words: Beckmann rearrangement; reaction kinetics; genetic algorithm; caprolactam

中南大学学报(自然科学版)
  ISSN 1672-7207
CN 43-1426/N
ZDXZAC
中南大学学报(英文版)
  ISSN 2095-2899
CN 43-1516/TB
JCSTFT
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