Open AccessThe theoretical study on CH4 adsorption in different zeolites
Author(s) -
Xiuying Liu,
Xiaofeng Li,
Liying Zhang,
Zhiqin Fan,
Ma Xing-Ke
Publication year - 2012
Publication title -
wuli xuebao
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.199
H-Index - 47
ISSN - 1000-3290
DOI - 10.7498/aps.61.146802
Subject(s) - physisorption , zeolite , adsorption , molecule , materials science , monte carlo method , thermodynamics , chemistry , chemical physics , computational chemistry , organic chemistry , physics , catalysis , mathematics , statistics
The physisorption properties of CH4 in MOR and MFI zeolites are studied using the grand canonical Monte Carlo method. Some important physical quantities are obtained, such as adsorption amounts, isosteric heats, interaction energies of zeolite, CH4 molecules, etc. The results show that the physisorption properties of MOR zeolite are superior to those of MFI zeolite in all conditions. The reasons causing such different results between them are analyzed from the interaction energies between zeolites and CH4 molecules, the relationships between isosteric heats and adsorption amounts, etc.