Abstract
Using the method of Born, Green, and Yvon we have recently derived a coupled set of integral equations for the intermolecular site–site distribution functions which describe the microscopic equilibrium structure of a fluid of flexible chain molecules. Here, we carry out an average over this set of equations to arrive at a single equation for the average intermolecular distribution function. Intramolecular distribution functions appearing in this equation are approximated by results for isolated chain molecules. Numerical calculations have been performed over a range of fluid densities for chains composed of 8, 16, 20, and 50 tangent hard spheres. The resulting intermolecular distribution functions are in good to fair agreement with simulation data. This structural information is used to compute second virial coefficients and pressure equations of state via the virial route to thermodynamics. Although the theory consistently underestimates the pressure, it gives very accurate results for the second virial coefficient for all chain lengths studied.
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