天然气与石油2025，Vol.43Issue(5)：18-27,10.DOI:10.3969/j.issn.1006-5539.2025.05.003
天然氢气的运移成藏机理及微观动力学分析
Natural hydrogen:Migration and accumulation mechanisms and microdynamic analysis
摘要
Abstract
Against the backdrop of global energy transition and the"Dual Carbon"goals,the importance of hydrogen energy as a clean energy source is becoming increasingly prominent.However,conventional hydrogen production pathways(gray,blue,and green hydrogen)face challenges related to carbon emissions or high costs.Natural hydrogen has garnered significant attention in recent years as a potential zero-carbon,low-cost hydrogen source,but its enrichment mechanisms,particularly migration and accumulation,remain poorly understood.This paper reviews three primary generation mechanisms of natural hydrogen(core and mantle degassing,water-rock reactions,and water radiolysis)and its enrichment models,highlighting the current lack of understanding regarding hydrogen's microscopic migration behavior in porous media.To address this gap,this study employs Molecular Dynamics(MD)simulations to investigate the adsorption and diffusion behavior of hydrogen within kaolinite nanopores.Simulation results indicate that hydrogen adsorption on the kaolinite surface is predominantly monolayer.The diffusion coefficient of hydrogen increases with temperature.Radial Distribution Function(RDF)analysis reveals that the silicon(Si)atoms in kaolinite exhibit the strongest interaction with H2 molecules.This research elucidates the interaction mechanisms between hydrogen and clay minerals at the microscopic scale,providing a theoretical basis for understanding the sealing conditions and accumulation potential of natural hydrogen,which is crucial for its resource assessment and exploration.关键词
天然氢气/成藏机理/分子动力学模拟/高岭石/吸附行为/扩散系数Key words
Natural hydrogen/Accumulation mechanism/Molecular dynamics simulation/Kaolinite/Adsorption behavior/Diffusion coefficient引用本文复制引用
章涛,王笃学,鲍旭,何圣鹏,巩亮,孙树瑜..天然氢气的运移成藏机理及微观动力学分析[J].天然气与石油,2025,43(5):18-27,10.基金项目
山东省优秀青年科学基金(海外)项目"天然氢开发中的多组分多相流动模拟"(2024HWYQ-050) （海外）
