Molecular simulation studies on natural gas hydrate nucleation and growth: A review

How natural gas hydrates nucleate and grow is a crucial scientific question. The research on it will help solve practical problems encountered in hydrate accumulation, development, and utilization of hydrate related technology. Due to its limitations on both spatial and temporal dimensions, experiment cannot fully explain this issue on a micro-scale. With the development of computer technology, molecular simulation has been widely used in the study of hydrate formation because it can observe the nucleation and growth process of hydrates at the molecular level. This review will assess the recent progresses in molecular dynamics simulation of hydrate nucleation and growth, as well as the enlightening significance of these developments in hydrate applications. At the same time, combined with the problems encountered in recent hydrate trial mining and applications, some potential directions for molecular simulation in the research of hydrate nucleation and growth are proposed, and the future of molecular simulation research on hydrate nucleation and growth is prospected.