Structure Properties of Expanded Liquid C60 Up to The Liquid-Vapour Critical Point

Project: Internal Grants (IG)

Project Details

Description

The aim of this research program is to calculate the structure factor, S(q), of expanded liquid C60 based on the sticky hard sphere equation of state. The direct correlation function, C(r), and its Fourier transform, C(q), can be given analytically via an accurate Percus-Yevike approximation of sticky hard spheres potential. The sticky parameter, ?, depends on both the temperature, T, and the pair potential, V(r ), between C60 molecules. We suggest the link between ?, T and V(r ) could be through the second Virial Coefficient B2 which is easy to be evaluated numerically for specified, V(r ), and given, T. The results of S(q) versus T can shed some light on the mechanism of how the liquid expands from the melting point, Tm , to the liquid-vapour critical point, TC .
StatusFinished
Effective start/end date1/1/1712/31/18

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