The second virial coefficient of the dipolar two center Lennard-Jones modelElectronic supplementary information (ESI) available: computer programs and ancillary data. See http://www.rsc.org/suppdata/cp/b2/b200781a/

Abstract

The second virial coefficients of two-center Lennard-Jones molecules which contain an embedded point dipole have been determined via numerical integration. A number of models with different reduced bond lengths and dipole moments have been considered. For each model the second virial coefficient has been calculated for a number of temperatures. It is shown that the presence of the dipole moment significantly raises the Boyle temperature and, for a given temperature, reduces the value of the second virial coefficient with respect to the non-polar model. It is shown that the model can describe correctly the second virial coefficient of some refrigerants.