| V／Sb催化剂上丙烷氨氧化反应机理的Monte Carlo模拟 |
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| 引用本文： | 王远洋,高荫本.V／Sb催化剂上丙烷氨氧化反应机理的Monte Carlo模拟[J].分子催化,1995,9(6):417-423. |
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| 作者姓名： | 王远洋 高荫本 |
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| 作者单位： | 中国科学院山西煤炭化学研究所煤转化国家重点实验室 |
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| 摘 要： | 本文应用Ｍｏｎｔｅ Ｃａｒｌｏ方法对丙烷氨氧化的反应机理进行了初步研究。首先在分析了Ｖ／Ｓｂ金红石构催化剂的各个晶面之后，以１００面为模板建立了Ｖ／Ｓｂ双活性中心模型。在此基础上，对丙烷，氨及氧的不同进料摩尔比率对丙烯腈，丙烯及ＣＯＸ三种产物的影响规律进行了详细考察。
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| 关 键 词： | 丙烷 氨氧化 模拟 催化剂 钒 锑 |
Monte Carlo Simulation to Mechanism of Propane Ammoxidation over V/Sb Catalyst |
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| Wang Yuanyang,Gao Yinben,Li Yonswang,Sun Yuhan,Chen Songying.Monte Carlo Simulation to Mechanism of Propane Ammoxidation over V/Sb Catalyst[J].Journal of Molecular Catalysis (China),1995,9(6):417-423. |
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| Authors: | Wang Yuanyang Gao Yinben Li Yonswang Sun Yuhan Chen Songying |
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| Abstract: | The mechanism of propane ammoxidation by means of Monte Carlo approach has been studied in this paper.The double-activity-site eatalytic surface model has been proposed based on the V/Sb catalyst,on which the rule of product distribution as a function of feed composition has been investigated.The simulation results are consistent with the references'experimental results. This indicates that the complex surface model presented is reasonable,and the Monte Carlo simulation to complex mechanism is feasible. |
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| Keywords: | Propane ammoxidation Reaction mechanism Monte Carlo simulation V/Sb catalyst |
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