Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
4444905 | Atmospheric Environment | 2006 | 6 Pages |
Abstract
We 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.
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Authors
Pablo R. Duchowicz, Heriberto Castañeta, Eduardo A. Castro, Francisco M. Fernández, José Luis Vicente,