Effect of Adsorbent Properties on Adsorption-Induced Deformation

被引:2
作者
Zou, Jie [3 ,4 ]
Fan, Chunyan [1 ]
Zhang, Junfang [2 ]
Liu, Xiu [1 ]
Zhou, Wen [3 ]
Huang, Liang [3 ]
Xu, Hao [4 ]
机构
[1] Curtin Univ, WA Sch Mines Minerals Energy & Chem Engn, Bentley, WA 6102, Australia
[2] CSIRO Energy, Kensington, WA 6151, Australia
[3] Chengdu Univ Technol, Coll Energy, Chengdu 610059, Sichuan, Peoples R China
[4] Chengdu Univ Technol, State Key Lab Oil & Gas Reservoir Geol & Exploita, Chengdu 610059, Peoples R China
关键词
METHANE ADSORPTION; MOLECULAR SIMULATION; COMPUTER-SIMULATION; CARBON-DIOXIDE; COAL; SHALE; CHARCOAL; EXPANSION; SORPTION; PORES;
D O I
10.1021/acs.langmuir.1c02512
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
Adsorption-induced adsorbent deformation is of fundamental importance to geoscientists and engineers. To gain insight into the deformation behaviors of different materials, we presented grand canonical Monte Carlo (GCMC) simulations of methane adsorption-induced deformation in slit pores. Adsorption isotherms and deformation behaviors of the pores were obtained for adsorbents with variations in solid density and affinity. The results showed that the adsorption-induced deformation depends on adsorbate loading, pore width, solid density, and affinity. The deformation at a given adsorption loading could be comparable between different solid densities or affinities because solid density or affinity is related to the solvation pressure as the driving force behind the deformation and also the resistance of the deformation. The interaction of these two effects controls the deformation behavior. We expect that our results will help to understand the adsorption-induced deformation in solids with heterogeneous properties and estimate deformation using the gas adsorption data.
引用
收藏
页码:14813 / 14822
页数:10
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