Theoretical insights into thermal transport and structural stability mechanisms of triaxial compressed methane hydrate  

作　　者：Dong-Sheng Chen Ting-Ting Miao Cheng Chang Xu-Yang Guo Meng-Yan Guan and Zhong-Li Ji 陈东升;缪婷婷;常程;郭旭洋;关梦言;姬忠礼(Beijing Key Laboratory of Process Fluid Filtration and Separation,College of Mechanical andTransportation Engineering,China University of Petroleum-Beijing,Beijing 102249,China;State Key Laboratory of Petroleum Resources and Prospecting,China University of Petroleum-Beijing,Beijing 102249,China)

机构地区：[1]Beijing Key Laboratory of Process Fluid Filtration and Separation,College of Mechanical andTransportation Engineering,China University of Petroleum-Beijing,Beijing 102249,China [2]State Key Laboratory of Petroleum Resources and Prospecting,China University of Petroleum-Beijing,Beijing 102249,China

出　　处：《Chinese Physics B》2024年第9期494-504,共11页中国物理B（英文版）

基　　金：the National Natural Science Foun-dation of China(Grant Nos.52376083 and 51991362).

摘　　要：The heat transfer and stability of methane hydrate in reservoirs have a direct impact on the drilling and production efficiency of hydrate resources,especially in complex stress environments caused by formation subsidence.In this study,we investigated the thermal transport and structural stability of methane hydrate under triaxial compression using molecular dynamics simulations.The results suggest that the thermal conductivity of methane hydrate increases with increasing compression strain.Two phonon transport mechanisms were identified as factors enhancing thermal conductivity.At low compressive strains,a low-frequency phonon transport channel was established due to the overlap of phonon vibration peaks between methane and water molecules.At high compressive strains,the filling of larger phonon bandgaps facilitated the opening of more phonon transport channels.Additionally,we found that a strain of0.04 is a watershed point,where methane hydrate transitions from stable to unstable.Furthermore,a strain of0.06 marks the threshold at which the diffusion capacities of methane and water molecules are at their peaks.At a higher strain of0.08,the increased volume compression reduces the available space,limiting the diffusion ability of water and methane molecules within the hydrate.The synergistic effect of the strong diffusion ability and high probability of collision between atoms increases the thermal conductivity of hydrates during the unstable period compared to the stable period.Our findings offer valuable theoretical insights into the thermal conductivity and stability of methane hydrates in reservoir stress environments.

关 键 词：methane hydrate molecular dynamics thermal transport triaxial compression structural stability 

分 类 号：O469[理学—凝聚态物理]