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QSPR prediction of the Dubinin–Radushkevich's k parameter for the adsorption of organic vapors on BPL carbon
AbstractWe propose a QSPR treatment to model a diverse set of pure organic vapors including 36 k parameters from the Dubinin–Radushkevich adsorption isotherm equation. From 814 molecular descriptors provided by the Dragon 5 software and the Replacement Method, we obtain an appropriate four-variables model with R=0.9334 and Rl–10%–o=0.8047. By means of this relationship, we predict 33 unknown values of k for structurally related vapors, enabling now to build their isotherms on BPL adsorbent at any desired temperature.
QSPR prediction of the Dubinin–Radushkevich's k parameter for the adsorption of organic vapors on BPL carbon
AbstractWe propose a QSPR treatment to model a diverse set of pure organic vapors including 36 k parameters from the Dubinin–Radushkevich adsorption isotherm equation. From 814 molecular descriptors provided by the Dragon 5 software and the Replacement Method, we obtain an appropriate four-variables model with R=0.9334 and Rl–10%–o=0.8047. By means of this relationship, we predict 33 unknown values of k for structurally related vapors, enabling now to build their isotherms on BPL adsorbent at any desired temperature.
QSPR prediction of the Dubinin–Radushkevich's k parameter for the adsorption of organic vapors on BPL carbon
Duchowicz, Pablo R. (author) / Castañeta, Heriberto (author) / Castro, Eduardo A. (author) / Fernández, Francisco M. (author) / Vicente, José Luis (author)
Atmospheric Environment ; 40 ; 2929-2934
2006-01-03
6 pages
Article (Journal)
Electronic Resource
English
Dubinin-Astakhov model for acetylene adsorption on metal-organic frameworks
| British Library Online Contents | 2016
Dubinin-Astakhov model for acetylene adsorption on metal-organic frameworks
| British Library Online Contents | 2016