Article ID Journal Published Year Pages File Type
5383936 Chemical Physics Letters 2011 7 Pages PDF
Abstract
► Exchangeable cation influence on 2-nitro-1-propanol adsorption on smectite surface. ► DFT(B3LYP)/6-31+G∗∗ calculations and AIM analysis are performed. ► Adsorption is favored by the cation in the order K > Na > Li. ► Adsorption is not favored in absence of cation. ► Adsorption weakens the interactions cation-surface.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
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