Prediction of methane diffusion coefficient in water using molecular dynamics simulation

Diffusion coefficient is one the most effective factors in mass transfer calculation, which plays an important role in study at the molecular scale. In this study, Material Studio software was used to simulate the diffusion coefficient of methane in water through molecular dynamics. COMPASS force fi...

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Detalles Bibliográficos
Publicado en:Heliyon
Main Authors: Moradi, Hojatollah, Azizpour, Hedayat, Bahmanyar, Hossein, Mohammadi, Mohammad, Akbari, Mahdi
Formato: Artigo
Idioma:Inglês
Publicado: Elsevier 2020
Assuntos:
Research Article
Acceso en liña:https://ncbi.nlm.nih.gov/pmc/articles/PMC7609454/
https://ncbi.nlm.nih.gov/pubmed/33163679
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.heliyon.2020.e05385
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