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
Autores principales: Moradi, Hojatollah, Azizpour, Hedayat, Bahmanyar, Hossein, Mohammadi, Mohammad, Akbari, Mahdi
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier 2020
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7609454/
https://www.ncbi.nlm.nih.gov/pubmed/33163679
http://dx.doi.org/10.1016/j.heliyon.2020.e05385

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7609454/
https://www.ncbi.nlm.nih.gov/pubmed/33163679
http://dx.doi.org/10.1016/j.heliyon.2020.e05385

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