Structure des fluides de bâtonnets polaires et polarisables dans l'approximation des chaînes hypertressées avec amplification du potentiel répulsif. Un modèle simple d'acétonitrile liquide.

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Abstract
We study fluids of rigid rods which are generated by a distribution of line sites and which carry a polanzable electric point dipole at their centre. We examine the difficulties for solving the integral equations, which result bom truncating the rotational invariant expansion of the usual intermolecular rapidly varying shape potentials. In order to overcome these convergence problems, soft shape potentials are used in addition to an approximation IINCAIt of the hypernetted chain (HNC) type, which Amplifies these soft Repulsive effects. The polarization due to all the molecules is treated at a self-consistent mean field level This formalism is applied to a model of liquid acetonitnle at 291K The Xirkwood factors, the dielectric constant, and the cross sections of neutron or X-rays diffraction studies are in good agreement with experiment. This justifies the theoretical molecular pair distribution, from which the local molecular order is carefully analyzed.

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