A method for a priori calculation of the energy of interaction between an adsorbed molecule and an adsorbent accounting for the adsorbed molecule shape is developed. This method is incorporated in our model of adsorption on a uniform adsorbent (Dolgonosov, A. M. Doklady 1994, 338, 760). Relations between adsorption parameters, the nonpolar molecule structure, and three characteristics of the uniform nonpolar adsorbent are established. They allow us to easily calculate the adsorption energy and the Henry law constant for a wide range of temperatures with good accuracy. The calculation of the adsorption characteristics of hydrocarbons and other compounds on graphite is carried out.

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