Adsorption interaction in H2-ZSM-5 system and calculation of the zeolite microchannel parameters
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- 作者：Ivan V. Grenev ; Vladimir Yu. Gavrilov ; gavrilov@catalysis.ru" class="auth_mail" title="E-mail the corresponding author
- 关键词：Model of ZSM-5 zeolite and silicalite-1 structure fragment ; Pair adsorption interaction potential ; Zero potential surfaces for hydrogen adsorption ; Microchannel shape and volume ; Henry constants for H2 adsorption at 77 K
- 刊名：Microporous and Mesoporous Materials
- 出版年：2016
- 出版时间：15 May 2016
- 年：2016
- 卷：226
- 期：Complete
- 页码：146-152
- 全文大小：1813 K
文摘
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The real shape of the microchannels for MFI zeolites is identified.
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Places for preferential localization of the sorbate molecules in the zeolite structure is determined.
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Theoretical values of the zeolite microchannel volumes is calculated.
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Calculated and experimental values of Henry constants for hydrogen adsorption at 77 K is compared.