ArticleProceedings of the National Academy of Sciences of the United States of America2020
Unraveling nucleation pathway in methane clathrate formation.
Article in Proceedings of the National Academy of Sciences of the United States of America, 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 8 papers.
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Who cites it
8 citing papers in PubMed, 98 citations in OpenAlex.
- Bulk versus Interface Nucleation of COThe journal of physical chemistry. B · 2026Article
- Gypsum heterogenous nucleation pathways regulated by surface functional groups and hydrophobicity.Nature communications · 2025Article
- Probing the critical nucleus size in tetrahydrofuran clathrate hydrate formation using surface-anchored nanoparticles.Nature communications · 2024Article
- Dynamic Dissociation Behaviors of sII Hydrates in Liquid Water by Heating: A Molecular Dynamics Simulation Approach.ACS omega · 2022Article
- Three-body aggregation of guest molecules as a key step in methane hydrate nucleation and growth.Communications chemistry · 2022Article
- Unraveling Adhesion Strength between Gas Hydrate and Solid Surfaces.Langmuir : the ACS journal of surfaces and colloids · 2021Article
- Multistep nucleation of anisotropic molecules.Nature communications · 2021Article
- Open questions on methane hydrate nucleation.Communications chemistry · 2021Article
Corrections and comments
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Authors and funding
7 authors at 3 institutions in 2 countries.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Methane clathrates are widespread on the ocean floor of the Earth. A better understanding of methane clathrate formation has important implications for natural-gas exploitation, storage, and transportation. A key step toward understanding clathrate formation is hydrate nucleation, which has been suggested to involve multiple evolution pathways. Herein, a unique nucleation/growth pathway for methane clathrate formation has been identified by analyzing the trajectories of large-scale molecular dynamics (MD) simulations. In particular, ternary water-ring aggregations (TWRAs) have been identified as fundamental structures for characterizing the nucleation pathway. Based on this nucleation pathway, the critical nucleus size and nucleation timescale can be quantitatively determined. Specifically, a methane hydration layer compression/shedding process is observed to be the critical step in (and driving) the nucleation/growth pathway, which is manifested through overlapping/compression of the surrounding hydration layers of the methane molecules, followed by detachment (shedding) of the hydration layer. As such, an effective way to control methane hydrate nucleation is to alter the hydration layer compression/shedding process during the course of nucleation.
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