Integral equations for polar molecular fluids

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Abstract
We present the solution of the site-site Ornstein-Zernike equation for the polar hard dumbell fluid with site-site mean spherical closure, using the new numerical method of Gillan. Numerical solution of the equations involves the use of renormalization to remove divergences arising from the long ranged potential. A simple scheme for performing this renormalization is presented which can be applied quite generally to both scalar and matrix equations. The results are compared with recent computer simulation results and a simplified version of the analytic solution. The integral equation results are in good qualitative agreement with the simulation data. Quite accurate results are also obtained for the configurational energy.