LIQUID PROPERTIES OF TETRAHYDROFURAN AND METHYLENE-CHLORIDE VIA THE MOLECULAR HYPERNETTED-CHAIN APPROXIMATION

Each molecule is modeled by a set of Lennard-Jones sites carrying part ial electric charges and by a point polarizability tenser. The induced dipole created in a polarizable molecule by the local electric field due to the partial charges and to the induced dipoles on the surroundi ng particles is approximated using a general self-consistent mean-fiel d method. The calculated internal excess energies, dielectric constant s, and Kirkwood factors are in overall good agreement with experiment. The structure of both liquids is characterized by many dominant bimol ecular configurations, correlated to the relative strengths of the Len nard-Jones and electrostatic intermolecular potentials.