Structure and dynamics of liquid carbon tetrachloride.

Abstract

The structure and dynamics of liquid CCl₄ are analysed on the basis of a molecular dynamics experiment involving 64 particles and lasting 10 ps. CCl₄ molecules are modelled as rigid tetrahedra interacting by a 4CLJ potential. The resulting spatial and time correlation functions are compared to X-ray, neutron and light scattering data. Selected expansion coefficients of g(r, Θ₁, Θ₂) are used in a critical examination of various orientational models.