Acid–Base Properties of Cis-Vacant Montmorillonite Edge Surfaces: A Combined First-Principles Molecular Dynamics and Surface Complexation Modeling Approach

[Image: see text] Montmorillonite layer edge surfaces have pH-dependent properties, which arises from the acid–base reactivity of their surface functional groups. Edge surface acidity (with intrinsic reaction equilibrium constant, pK(a)) is a chemical property that is affected by crystal structure....

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Detalles Bibliográficos
Autores principales: Gao, Pengyuan, Liu, Xiandong, Guo, Zhijun, Tournassat, Christophe
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9878716/
https://www.ncbi.nlm.nih.gov/pubmed/36627109
http://dx.doi.org/10.1021/acs.est.2c07171

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9878716/
https://www.ncbi.nlm.nih.gov/pubmed/36627109
http://dx.doi.org/10.1021/acs.est.2c07171

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