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A prioriCalculation of the Adsorption Properties of Molecules from Their Topology

A prioriCalculation of the Adsorption Properties of Molecules from Their Topology Doklady Chemistry, Vol. 377, Nos. 4–6, 2001, pp. 89–93. Translated from Doklady Akademii Nauk, Vol. 377, No. 4, 2001, pp. 488–492. Original Russian Text Copyright © 2001 by Dolgonosov. CHEMISTRY A priori Calculation of the Adsorption Properties of Molecules from Their Topology A. M. Dolgonosov Presented by Academician B.F. Myasoedov November 22, 2000 Received November 24, 2000 This paper proposes an efficient tool for a priori cal- parenthesized sum) of vibrational degrees of freedom. culation of Henry’s constants and the chromatographic p Q indices of any saturated hydrocarbons from their struc- ------------ r = --- + , (5) ture with the use of only a single empirical parameter, 2 2F which characterizes a uniform adsorbent. It is shown where A is a constant that is proportional to the van der for the first time that adsorption of cyclic molecules is Waals size of an adsorbent atom (for carbon (hydrocar- accompanied by restriction on the freedom of their motion because of the fact that such molecules can be p Ð4 ------- bon) adsorbents, A = 3.36 · 10 m m); R is the uni- put on bulges on the rough surface of some adsorbents (hydrocarbons, polymethylsilicones, etc.) used in chro- http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Doklady Chemistry Springer Journals

A prioriCalculation of the Adsorption Properties of Molecules from Their Topology

Doklady Chemistry , Volume 377 (6) – Oct 12, 2004

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References (2)

Publisher
Springer Journals
Copyright
Copyright © 2001 by MAIK “Nauka/Interperiodica”
Subject
Chemistry; Chemistry/Food Science, general; Industrial Chemistry/Chemical Engineering
ISSN
0012-5008
eISSN
1608-3113
DOI
10.1023/A:1019236229233
Publisher site
See Article on Publisher Site

Abstract

Doklady Chemistry, Vol. 377, Nos. 4–6, 2001, pp. 89–93. Translated from Doklady Akademii Nauk, Vol. 377, No. 4, 2001, pp. 488–492. Original Russian Text Copyright © 2001 by Dolgonosov. CHEMISTRY A priori Calculation of the Adsorption Properties of Molecules from Their Topology A. M. Dolgonosov Presented by Academician B.F. Myasoedov November 22, 2000 Received November 24, 2000 This paper proposes an efficient tool for a priori cal- parenthesized sum) of vibrational degrees of freedom. culation of Henry’s constants and the chromatographic p Q indices of any saturated hydrocarbons from their struc- ------------ r = --- + , (5) ture with the use of only a single empirical parameter, 2 2F which characterizes a uniform adsorbent. It is shown where A is a constant that is proportional to the van der for the first time that adsorption of cyclic molecules is Waals size of an adsorbent atom (for carbon (hydrocar- accompanied by restriction on the freedom of their motion because of the fact that such molecules can be p Ð4 ------- bon) adsorbents, A = 3.36 · 10 m m); R is the uni- put on bulges on the rough surface of some adsorbents (hydrocarbons, polymethylsilicones, etc.) used in chro-

Journal

Doklady ChemistrySpringer Journals

Published: Oct 12, 2004

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