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J Phys Chem B ; 113(27): 9046-9, 2009 Jul 09.
Article in English | MEDLINE | ID: mdl-19534512

ABSTRACT

We present a primitive model for a room-temperature ionic liquid, where the cation is modeled as a charged hard spherocylinder of diameter sigma and length l and the anion as a charged hard sphere of diameter sigma. Liquid-vapor coexistence curves and critical parameters for this model have been studied by grand-canonical Monte Carlo methods. Our results show a decrease of both the critical temperature and density as the cation length l increases. These results are in qualitative agreement with recent experimental estimates of the critical parameters.

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