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Simulation to Enhance Shale Gas Recovery Using Carbon Dioxide in Silica Nanopores with Different Sizes
Author(s) -
Sun Haoyang,
Zhao Hui,
Qi Na,
Li Ying
Publication year - 2017
Publication title -
energy technology
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.91
H-Index - 44
eISSN - 2194-4296
pISSN - 2194-4288
DOI - 10.1002/ente.201700166
Subject(s) - nanopore , adsorption , materials science , molecular dynamics , chemical physics , nanotechnology , oil shale , chemical engineering , carbon dioxide , displacement (psychology) , diffusion , methane , chemistry , thermodynamics , computational chemistry , organic chemistry , psychology , physics , psychotherapist , engineering , waste management
An understanding of molecular behavior on a microscopic level is always important not only to find out the natural principles but also to decide how to solve problems in applications. In this study, the grand canonical Monte Carlo (GCMC) and molecular dynamics (MD) simulation methods were employed to investigate the adsorption and diffusion properties of CH 4 and CO 2 in silica nanopores with different sizes, and the displacement of residual CH 4 in silica nanopores by CO 2 at a constant temperature of 323 K and various pressures was studied. The microscopic molecular states of the adsorbed CH 4 and CO 2 in nanopores of various sizes are different. The competitive adsorption of CO 2 over CH 4 occurs broadly because of the different intensity of interactions between the gases molecules and the pore surface, of which the degree decreases with the increase of the pore size. An effective displacement process of residual adsorbed CH 4 by CO 2 was performed, and it is found that the displacement is enhanced with the increase of the CO 2 bulk pressure and that the pore size has a significant influence on the displacement. According to the results, CO 2 capture and storage (CCS) and the enhancement of CH 4 recovery could be achieved at the same time in silica nanopores. This work provides microscopic information on the molecular behavior of CH 4 and CO 2 in silica nanopores and testifies to the efficiency of the displacement of CH 4 by CO 2 in silica nanopores with various sizes to provide useful guidance for applications in the enhancement of shale gas recovery by CO 2 .