Abstract

CASTANETA, H et al. COMPROBACION EXPERIMENTAL DE DATOS PREDICHOS DE CAPACIDADES DE ADSORCIÓN MEDIANTE LA APLICACIÓN DE RELACIONES CUANTITATIVAS ESTRUCTURA-PROPIEDAD (QSPR) PARA C₂H₄. Rev. Bol. Quim [online]. 2007, vol.24, n.1, pp.45-52. ISSN 0250-5460.

ABSTRACT The present article tries about the practical application of a lineal mathematical model obtained based on calculations of regression multivariable using the method of Substitution" (MR) to predict the constant k of Dubinin-Radushkevich of a group of 42 different molecules based on a group of training set of 36 molecules.  From the constant k of the Ethylene (C2H4) predicted, the capacities of adsorption and the corresponding isotherms were calculated for 5 samples of activated coal. For the sample CAT that has certain catalytic properties was obtained isotherm of ethylene adsorption to several temperatures and for this same sample they were obtained isotherm of adsorption of several volatile substances, in the range of relative pressures (P/Po) between 0 and 0.2. The reached results allow to distinguish clearly among the different types of activated coal and it allows to decide which of them it is the most appropriate for its use to application effects in the purification of air, for example; also, the application of the pattern allows to obtain the isotherms of adsorption corresponding to each type of activated coal of characteristic similar to CAT or BPL, considering all the molecules for which its capacity of adsorption was predicted

Keywords : Adsorption; activated charcoal; ethylene; Dubinin-Radushkevich; isotherm; model; QSAR; QSPR.

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