Abstract

Monte Carlo simulations of linear Kihara fluids with embedded point quadrupoles are reported for several elongations and values of the quadrupole. The quadrupolar contribution to the Helmholtz free energy is obtained and the effect of quadrupole on the structure is studied. The data obtained should be useful to check perturbation theories of convex quadrupolar Kihara fluids. An attempt to model carbon dioxide with the quadrupolar Kihara model has also been carried out. It is shown that accounting for the quadrupole moment in the model improves the agreement with measured properties. Overall this agreement is found to be good. These results encourage further theoretical work with this potential model.

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