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Molecular Dynamics Simulation of the Three-Phase Equilibrium Line of CO(2) Hydrate with OPC Water Model
[Image: see text] The three-phase coexistence line of the CO(2) hydrate was determined using molecular dynamics (MD) simulations. By using the classical and modified Lorentz–Berthelot (LB) parameters, the simulations were carried out at 10 different pressures from 3 to 500 MPa. For the OPC water mod...
| Autores principales: | , , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2023
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10601413/ https://www.ncbi.nlm.nih.gov/pubmed/37901483 http://dx.doi.org/10.1021/acsomega.3c05673 |