The density functional formalism by Tang and Freed was extended to the calculation of the free energy of polymeric systems in terms of the compositional and the orientational order parameters φ and Qij. As a demonstration, the formalism was applied to the case of flexible Gaussian chains and the "exact" expression for the free energy up to the second order in the gradients were obtained.
All Science Journal Classification (ASJC) codes
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry