The effect of impurity on the separation of CO2 from N2 by MCM-41: A simulation study

被引：11

作者：

Salestan, Saeed Khoshhal ^{[1
]}

Taghizadeh, Majid ^{[1
]}

机构：

[1] Babol Noshirvani Univ Technol, Chem Engn Dept, POB 484, Babol Sar 4714871167, Iran

来源：

CHEMICAL PHYSICS | 2019年 / 524卷

关键词：

Flue gas; Gas separation; GCMC simulation; MCM-41; METAL-ORGANIC FRAMEWORK; MIXED MATRIX MEMBRANE; TRACE GAS IMPURITIES; CARBON-DIOXIDE; FORCE-FIELD; FLUE-GAS; WATER-VAPOR; ACTIVATED CARBON; ADSORPTION; CAPTURE;

D O I：

10.1016/j.chemphys.2019.05.014

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Pure CO2 and N-2 adsorption isotherms on MCM-41 were simulated by Grand Canonical Monte Carlo method. The results showed a reasonable agreement with literature reported data. The CO2/N-2 selectivity was determined for the pure phase and binary mixture. Nevertheless, competitive adsorption improved the selectivity but decreased adsorption amount of each gas. The effect of impurity on CO2/N(2 )selectivity was also simulated in a ternary mixture in the presence of water, NO2, and SO2 molecules. Also, an isosteric heat calculation and radial distribution function analysis were performed to prove that the water molecules interact more with MCM-41 than other gases.

引用

收藏

页码：124 / 130

页数：7

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