QSPR prediction of the Dubinin–Radushkevich's k parameter for the adsorption of organic vapors on BPL carbon

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.