Interactions between benzene molecules

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Abstract
A three-parameter semi-empirical pair potential function for benzene-benzene interactions is proposed. The model has the known form for long-range interactions between benzene molecules including anisotropic permanent and induced electrostatic terms and the anisotropic dispersion energy term. A method that enables these terms to be calculated easily in disordered systems is described. It is shown that an accurate fit to the second virial coefficient of benzene vapour can be obtained using two of the three parameters for a wide range of values of the third parameter. If a purely two-body interaction is required the third parameter may be determined by the static lattice energy of the benzene crystal.