摘要：As a key issue emerged in the exploitation of combustible ice resources, the memory effect inducing hydrate reformation in sand-containing dissociated-water system is still ambiguous. Among them, methane hydrate dissociation kinetics and guest supersaturated hypothesis for methane hydrate reformation are the primary issues to be addressed. A molecular dynamics simulation system where methane hydrate interacts with surfacehydroxylated silica nanoparticles was established to simulate dissociation process, which is necessary to construct hydrate reformation systems for further microscopic study on hydrate memory effect. The transportation mechanism of methane during hydrate dissociation in sand-containing aqueous system was elucidated. Based on this, hydrate-dissociated systems with methane supersaturated were captured, and molecular dynamics simulations were carried out to further study hydrate reformation mechanism regarding the guest supersaturated hypothesis. By analyzing the distribution and transportation of methane, hydrate clusters, and silica nanoparticles, it can be concluded that the hydrate-like orderly arrangement of methane that are dissolved in the solution or on the surface of nanobubbles are necessary to trigger hydrate memory effect by inducing the reformation of hydrate clusters, while the silica nanoparticles can inhibit the reformation of hydrate clusters by disturbing the arrangement of methane molecules and water molecules. Thence, the microscopic analysis indicated that supersaturated guest molecules is vital to the occurrence of hydrate memory effect and its effect varies between the supersaturated states.

关键字：Methane hydrate dissociation kinetics; Methane hydrate reformation kinetics; Silica nanoparticles; Guest supersaturated; Molecular dynamics

ISSN号：1383-5866

卷、期、页：卷357子辑B

发表日期：2025-05-01

期刊分区（SCI为中科院分区）：一区

收录情况：SCI（科学引文索引印刷版）,SCIE（科学引文索引网络版）

发表期刊名称：SEPARATION AND PURIFICATION TECHNOLOGY

通讯作者：廖清云,朱羽墨

第一作者：史博会,宋尚飞,宫敬,陈光进

论文类型：期刊论文

论文概要：史博会,廖清云,宋尚飞,朱羽墨,宫敬,陈光进，Microscopic study on the memory effect of methane hydrate in the presence of silica nanoparticles: I. Dissociation mechanism & guest supersaturated hypothesis，SEPARATION AND PURIFICATION TECHNOLOGY，2025，卷357子辑B

论文题目：Microscopic study on the memory effect of methane hydrate in the presence of silica nanoparticles: I. Dissociation mechanism & guest supersaturated hypothesis