| ZSM-5沸石晶粒结焦失活过程的Monte-Carlo模拟研究 |
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| 引用本文： | 陆铭,徐志刚,朱子彬. ZSM-5沸石晶粒结焦失活过程的Monte-Carlo模拟研究[J]. 高校化学工程学报, 2001, 15(5): 434-439 |
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| 作者姓名： | 陆铭 徐志刚 朱子彬 |
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| 作者单位： | 华东理工大学化工工艺研究所, |
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| 基金项目： | 中国石油化工集团公司科技研究开发资助项目(497038)。 |
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| 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。
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| 关 键 词： | Monte－Carlo模拟 三维晶格 ZSM－5沸石催化剂 结焦失活 活性稳定期 催化活性 |
| 文章编号： | 1003-9015(2001)05-0434-06 |
| 修稿时间： | 2000-09-11 |
Study on Deactivation of ZSM-5 Zeolite Crystal with Monte-Carlo Simulation for Coking Process |
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| LU Ming,XU Zhi-gang,ZHU Zi-bin. Study on Deactivation of ZSM-5 Zeolite Crystal with Monte-Carlo Simulation for Coking Process[J]. Journal of Chemical Engineering of Chinese Universities, 2001, 15(5): 434-439 |
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| Authors: | LU Ming XU Zhi-gang ZHU Zi-bin |
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| Abstract: | In this paper, 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. |
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| Keywords: | Monte-Carlo simulation three-dimension crystal ZSM-5 zeolite coking and deactivation activity stability period |
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