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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...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Elsevier
2020
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| Materias: | |
| 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 |