Y1沸石笼间扩散速率偏离阿伦尼乌斯行为

Electronic Journal of Theoretical Chemistry Pub Date : 2001-03-15 DOI:10.1002/EJTC.15

P. Santikary, S. Yashonath

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引用次数: 2

摘要

计算了山梨酸酯在Y沸石中的笼间扩散速率(kc)、笼间访问速率(kv)和扩散系数(D)。我们表明，由于笼间扩散速率对短时行为的依赖，在足够高的温度下会发生与阿伦尼乌斯行为的显著偏差。

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Deviation from Arrhenius behaviour of rate of intercage diffusion in Zeolite Y1

Rate of intercage diffusion (k c ) along with rate of cage visits (k v ) and diffusion coefficient (D) of sorbates in zeolite Y have been calculated. We show that as a consequence of the dependence of rate of intercage diffusion on short-time behaviour, significant deviation from the Arrhenius behaviour at suffciently high temperatures occurs.

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Electronic Journal of Theoretical Chemistry

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