All-Atom Molecular Dynamics of Pure Water–Methane Gas Hydrate Systems under Pre-Nucleation Conditions: A Direct Comparison between Experiments and Simulations of Transport Properties for the Tip4p/Ice Water Model

(1) Background: New technologies involving gas hydrates under pre-nucleation conditions such as gas separations and storage have become more prominent. This has necessitated the characterization and modeling of the transport properties of such systems. (2) Methodology: This work explored methane hyd...

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Detalles Bibliográficos
Autores principales: Guerra, André, Mathews, Samuel, Marić, Milan, Servio, Phillip, Rey, Alejandro D.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9370622/
https://www.ncbi.nlm.nih.gov/pubmed/35956968
http://dx.doi.org/10.3390/molecules27155019

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