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Mechanism of Hexane Displaced by Supercritical Carbon Dioxide: Insights from Molecular Simulations
Supercritical carbon dioxide (sCO(2)) has great potential for displacing shale oil as a result of its high solubility and low surface tension and viscosity, but the underlying mechanisms have remained unclear up to now. By conducting equilibrium molecular dynamics (EMD) simulations, we found that th...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2022
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9736652/ https://www.ncbi.nlm.nih.gov/pubmed/36500433 http://dx.doi.org/10.3390/molecules27238340 |