Statistical thermodynamics of polymer solutions

Abstract

The previous theory of pure polymer fluid is extended to polymer solutions. The partition function and the complete thermodynamic description for polymer solutions on a lattice model are obtained. With neglecting of the influence of preferential interaction on configuration, the free energy of Flory-Huggins is recovered. The temperature-independent portion of effective interaction parameter is explained from the molecular origins, and the observed composition dependence of is provided on a molecular basis. The values calculated from the present theory match the experimental spinodals data. However, the mean field approximation has an important effect not only on spinodals and binodals, but also on the interaction parameter.

Numerical simulation of polymer nanocomposites using self-consistent mean-field model

“…The advantages of the self-consistent mean-field ͑SCF͒ model [33][34][35][36][37][38][39][40][41][42] over the classical lattice approach are well described in a series of publications by Balazs and co-workers. [6][7][8][9] The model used in the SCF calculations consists of two infinite parallel platelets immersed in a bath of molten polymer.…”

“…39 Rigorous computations were carried out to obtain a complete description of the lattice polymer fluids and polymer solutions. 40,41 The method was also effective in handling complex inhomogeneous liquids. 42 More recently, the SCF model was used to interpret continuum quantities such as stress 43 and viscoelasticity of the inhomogeneous dense polymer systems.…”