原子与分子物理学报2024，Vol.41Issue(5)：61-68,8.DOI:10.19855/j.1000-0364.2024.052002
页岩气在粗糙纳米孔中吸附和输运的分子模拟
Molecular simulation of shale gas adsorption and transport in rough nanopores
摘要
Abstract
Understanding the mechanism of solid-gas interface adsorption and gas injection displacement at the microscopic scale contributes to perfect the theory of shale gas extraction.GCGM(Grant Canonical Monte Carlo)and MD(Molecular Dynamics)methods were consulted to simulate the methane adsorption and diffusion in the pores of rough wall structures.The investigation indicated that the rough structures significantly influence meth-ane adsorption,which is greater in the rough models when the pressure is less than 20 MPa.The breakthrough time of carbon dioxide and methane recovery in the rough models are increased compared to the slit model during gas injection displacement.Due to the larger surface area of the rough shale models,the gas adsorption capacity is stronger at low pressure.The rectangular structures shale model has stronger selective adsorption than the tri-angular and silt models.The research clarifies the microscopic mechanism of methane absorption and displace-ment and provides guidance for improving shale gas recovery.关键词
页岩气/分子动力学模拟/粗糙纳米孔/吸附/输运Key words
Shale gas/Molecular simulation/Rough nanopore/Adsorption/Transport分类
化学化工引用本文复制引用
陈佳乐,马妮萍,国建华,赵军华,魏宁..页岩气在粗糙纳米孔中吸附和输运的分子模拟[J].原子与分子物理学报,2024,41(5):61-68,8.基金项目
江苏省先进食品制造装备与技术重点实验室(FMZ202001,FMZ202009) （FMZ202001,FMZ202009）
教育部智能纳米材料与器件重点实验室开放基金(INMD-2019M08) （INMD-2019M08）
