首页> 外文会议>Third Tokyo Conference on Advanced Catalytic Science and Technology,Tokyo July 19-24,1998 >Random-walk simulation for deactivated zeolite used in cyclohexene hydration
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Random-walk simulation for deactivated zeolite used in cyclohexene hydration

机译:环己烯水合反应中失活沸石的随机游走模拟

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摘要

Deactivated zeolite catalysts used for the liquid phase hydration of cyclohexene to produce cyclohexanol were analyzed by a method of simulation.We supposed the main cause for decrease of the reaction rate constant to be decrease of the intracrystalline diffusivity by deposition of organic species.Thus the simulations of a two dimensional lattic model with random movement of molecules were carried out in various proportion of the plug in the lattice.Comparing decrease of the reaction rate constant of the experiments with decrease of the desorption rate constant of the simulations,the size and the distribution of the organic deposits were discussed.
机译:通过模拟方法分析了用于环己烯液相水合生产环己醇的失活沸石催化剂,认为反应速率常数降低的主要原因是有机物的沉积降低了晶内扩散率。在晶格中不同比例的塞子上进行了分子随机运动的二维晶格模型的比较。比较实验的反应速率常数的减小与模拟物的解吸速率常数的减小,大小和分布的比较讨论了有机沉积物。

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