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Structure, dynamics and stability of water/scCO(2)/mineral interfaces from ab initio molecular dynamics simulations
The boundary layer at solid-liquid interfaces is a unique reaction environment that poses significant scientific challenges to characterize and understand by experimentation alone. Using ab initio molecular dynamics (AIMD) methods, we report on the structure and dynamics of boundary layer formation,...
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| Publicado no: | Sci Rep |
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| Main Authors: | , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Nature Publishing Group
2015
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4600984/ https://ncbi.nlm.nih.gov/pubmed/26456362 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/srep14857 |
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