English

Statistical theory of fluids with a complex electric structure: Application to solutions of soft-core dipolar particles

Soft Condensed Matter 2019-03-12 v1

Abstract

Based on the thermodynamic perturbation theory (TPT) and the Random phase approximation (RPA), we present a statistical theory of solutions of electrically neutral soft molecules, every of which is modelled as a set of sites that interact with each other through the potentials, presented as the sum of the Coulomb potential and arbitrary soft-core potential. As an application of our formalism, we formulate a general statistical theory of solution of the soft-core dipolar particles. For the latter, we obtain a new analytical relation for the screening function. As a special case, we apply this theory to describing the phase behavior of a solution of the dipolar particles interacting with each other in addition to the electrostatic potential through the repulsive Gaussian potential -- Gaussian core dipolar model (GCDM). Using the obtained analytic expression for the total free energy of the GCDM, we obtain the liquid-liquid phase separation with an upper critical point. The developed formalism could be used as a general framework for the coarse-grained description of thermodynamic properties of solutions of macromolecules, such as proteins, betaines, polypeptides, etc.

Keywords

Cite

@article{arxiv.1903.04004,
  title  = {Statistical theory of fluids with a complex electric structure: Application to solutions of soft-core dipolar particles},
  author = {Yu. A. Budkov},
  journal= {arXiv preprint arXiv:1903.04004},
  year   = {2019}
}

Comments

Mansuscript has been accepted in Fluid Phase Equilibria