Understanding the zeolites catalyzed isobutane alkylation based on their topology effects on the reactants adsorption

被引：10

作者：

Cao, Piao ^{[1
]}

Li, Bihong ^{[1
]}

Sun, Weizhen ^{[1
]}

Zhao, Ling ^{[1
,2
]}

机构：

[1] East China Univ Sci & Technol, Sch Chem Engn, State Key Lab Chem Engn, Shanghai 200237, Peoples R China

[2] XinJiang Univ, Sch Chem & Chem Engn, Urumqi 830046, Peoples R China

来源：

CHEMICAL ENGINEERING SCIENCE | 2022年 / 250卷

基金：

中国国家自然科学基金;

关键词：

Adsorption; Molecular simulations; Zeolite; Isobutane alkylation; SOLID ACID CATALYSTS; ATOM FORCE-FIELD; BIAS MONTE-CARLO; PROPANE/PROPYLENE SEPARATION; OLEFIN ADSORPTION; ALKANES; 13X; EQUILIBRIUM; FAUJASITE; PROPANE;

D O I：

10.1016/j.ces.2021.117387

中图分类号：

TQ [化学工业];

学科分类号：

0817 ;

摘要：

The easy deactivation of zeolites catalyzed isobutane alkylation, originated from the preferential adsorption of olefin against isobutane, limits their industrial applications. In this work, the adsorption properties of zeolites towards isobutane and 1-butene with different topologies and Si/Al ratios were investigated using CBMC simulations. Based on the calculated Henry coefficient and adsorption heat, the adsorption affinity decreases with the increase of Si/Al ratio in FAU-type zeolites, while for 1-butene the decrease is more obvious. The adsorption capacity of zeolites towards isobutane and 1-butene depends on the interaction between adsorbents and adsorbates at low pressures, while on the effective void volume of adsorbents at high pressures. A satisfactory relationship between the adsorption selectivity (S-I/O) and catalytic stability of zeolites for isobutane alkylation was found. Compared to FAU and LTL zeolites with expansions in pores or channels, BEA-15 and MTW-39 zeolites exhibit a much higher S-I/O and catalytic stability. (c) 2021 Elsevier Ltd. All rights reserved.

引用

页数：11

共 58 条

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