摘要
建立了ZSM-5分子筛催化剂晶粒的三维Monte-Carlo模拟体系,模拟了在该体系上对苯/乙烯烷基化制乙苯反应的结焦失活过程。模拟实验结果和催速失活实验结果吻合; 模拟失活历程经历高水平活性稳定期、活性衰退期和低水平活性稳定期三个阶段。并用Monte-Carlo方法研究了酸性位比例、晶粒大小和苯烯比对活性稳定性的影响。
A three-dimension Monte-Carlo simulation system of ZSM-5 zeolite crystal has been established. The deactivation process of ESMF zeolite crystal used as catalyst in benzene/ethylene alkylation reaction was simulated and the simulated results are in accord with accelerating deactivation experiment results. Deactivation process passes through three periods: stable high-level activity period, activity decline period and stable low-level activity period. Furthermore, effects of strong/weak acid site ratio, crystal size and benzene/ethylene mole ratio on property of activity stability have been studied with Monte-Carlo method.
出处
《高校化学工程学报》
EI
CAS
CSCD
北大核心
2001年第5期434-439,共6页
Journal of Chemical Engineering of Chinese Universities
基金
中国石油化工集团公司科技研究开发资助项目(497038)。
