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We present an all-atom force field model for liquid carbon tetrachloride for use in molecular dynamics simulations. The model is rigid with tetrahedral symmetry and the molecular interactions are represented in terms of site-site Lennard-Jones potential energy functions. With the molecular dynamics method we are able to accurately predict physical quantities of CCl4 including shear viscosity, the excess Helmholtz energy and the surface tension.
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Tironi et al. (1996) studied this question.
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