Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5383936 | Chemical Physics Letters | 2011 | 7 Pages |
Abstract
⺠Exchangeable cation influence on 2-nitro-1-propanol adsorption on smectite surface. ⺠DFT(B3LYP)/6-31+Gââ calculations and AIM analysis are performed. ⺠Adsorption is favored by the cation in the order K > Na > Li. ⺠Adsorption is not favored in absence of cation. ⺠Adsorption weakens the interactions cation-surface.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
D. Muñoz-Santiburcio, J. Ortega-Castro, F.J. Huertas, A. Hernández-Laguna,