Correlation of the isosteric heat of adsorption of organic molecules over zeolites with equalized electronegativity and chemical hardness.

Considering the direct correlation between charge transfer and heat of adsorption, we have equated the isosteric heat of adsorption (Qst) with Nalewajski's charge transfer equation involving equalized electronegativities and chemical hardness given in the literature. The equation is then tested and compared with the experimental heat of adsorption values of organic molecules over zeolites given in the literature with the average percentage deviation of 15·9. Other similar types of equations of charge transfer affinity are also tested. Various semi-empirical equations based on Barrer's approach of the determination of Qst and neural network method have been proposed, tested and compared for the first time. [ABSTRACT FROM AUTHOR]