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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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Detalles Bibliográficos
Autores principales:	Lee, Mal-Soon, Peter McGrail, B., Rousseau, Roger, Glezakou, Vassiliki-Alexandra
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Nature Publishing Group 2015
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4600984/ https://www.ncbi.nlm.nih.gov/pubmed/26456362 http://dx.doi.org/10.1038/srep14857

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