On the Problem of Differentiation of Acetone Adsorption Species on the Silica Gel: Molecular Models of Adsorption Complexes Full article
Conference |
Physical Methods for Catalytic Research at the Molecular Level: International memorial K.I. Zamaraev conference 28 Jun - 2 Jul 1999 , Novosibirsk |
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Journal |
Journal of Molecular Catalysis A: Chemical
ISSN: 1381-1169 |
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Output data | Year: 2000, Volume: 158, Number: 1, Pages: 281-285 Pages count : 5 DOI: 10.1016/S1381-1169(00)00091-1 | ||
Tags | Ab initio calculations, Acetone, Adsorption, Silica gel surface | ||
Authors |
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Affiliations |
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Funding (1)
1 | Russian Foundation for Basic Research | 96-15-97571 |
Abstract:
In the framework of the cluster approach ab initio calculations of the adsorption complexes of acetone molecule with an isolated terminal OH group of a silica gel (S1), with the fragment including hydrogen-bonded OH group (S2) and with two separated terminal OH groups simulating bifurcated acetone interaction (S3) were carried out. It is found that the difference between the stability of acetone complexes S1 and S2 is insignificant, and it is concluded that the bifurcated acetone interaction could result in a more stable adsorption form of acetone with the silica gel.
Cite:
Kachurovskaya N.A.
, Zhidomirov G.M.
, Aristov Y.I.
On the Problem of Differentiation of Acetone Adsorption Species on the Silica Gel: Molecular Models of Adsorption Complexes
Journal of Molecular Catalysis A: Chemical. 2000. V.158. N1. P.281-285. DOI: 10.1016/S1381-1169(00)00091-1 WOS Scopus РИНЦ
On the Problem of Differentiation of Acetone Adsorption Species on the Silica Gel: Molecular Models of Adsorption Complexes
Journal of Molecular Catalysis A: Chemical. 2000. V.158. N1. P.281-285. DOI: 10.1016/S1381-1169(00)00091-1 WOS Scopus РИНЦ
Dates:
Published online: | Jul 18, 2000 |
Published print: | Sep 8, 2000 |
Identifiers:
Web of science | WOS:000089201200034 |
Scopus | 2-s2.0-0034622688 |
Elibrary | 13347802 |
Chemical Abstracts | 2000:498695 |
Chemical Abstracts (print) | 133:325960 |
OpenAlex | W2078905854 |