Abstract
We give a brief summary of recent progress in the equilibrium statistical mechanics of a simple model of polar fluids consisting of hard- spheres with a permanent point dipole at the centre. Various theoretical approaches for the structural, dielectric and thermodynamic properties are examined. One of these, the linearized hypernetted-chain equation (LHNC), turns out to be remarkably accurate. This conclusion is reached by comparing the Monte Carlo calculations for the pair distribution function of a system with a spherically truncated potential with the results given by the LHNC integral equation solved with a similar truncation of the potential. The knowledge of this accurate solution enables us then to show that all presently available methods fail to adequately treat the long-range part of the dipole-dipole interaction in a computer simulation. The effect of polarizability is investigated.
Laboratoire associé au C.N.R.S.
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Weis, J.J. (1978). On Dipolar Fluids. In: Dupuy, J., Dianoux, A.J. (eds) Microscopic Structure and Dynamics of Liquids. NATO Advanced Study Institutes Series, vol 33. Springer, Boston, MA. https://doi.org/10.1007/978-1-4684-0859-1_9
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DOI: https://doi.org/10.1007/978-1-4684-0859-1_9
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