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Title: The local phase transitions of the solvent in the neighborhood of a solvophobic polymer at high pressures

We investigate local phase transitions of the solvent in the neighborhood of a solvophobic polymer chain which is induced by a change of the polymer-solvent repulsion and the solvent pressure in the bulk solution. We describe the polymer in solution by the Edwards model, where the conditional partition function of the polymer chain at a fixed radius of gyration is described by a mean-field theory. The contributions of the polymer-solvent and the solvent-solvent interactions to the total free energy are described within the mean-field approximation. We obtain the total free energy of the solution as a function of the radius of gyration and the average solvent number density within the gyration volume. The resulting system of coupled equations is solved varying the polymer-solvent repulsion strength at high solvent pressure in the bulk. We show that the coil-globule (globule-coil) transition occurs accompanied by a local solvent evaporation (condensation) within the gyration volume.
Authors:
 [1] ;  [2] ;  [2] ;  [3] ;  [4] ;  [5] ;  [6] ;  [7] ;  [2] ;  [1] ;  [2]
  1. G.A. Krestov Institute of Solution Chemistry of the Russian Academy of Sciences, Ivanovo (Russian Federation)
  2. (Russian Federation)
  3. Istituto Italiano di Tecnologia, via Morego 30, Genova 16163 (Italy)
  4. Ivanovo State University, Ivanovo (Russian Federation)
  5. (Germany)
  6. Max Planck Institute for Mathematics in the Sciences, Leipzig (Germany)
  7. Max Planck Institute for the Physics of Complex Systems, Dresden (Germany)
Publication Date:
OSTI Identifier:
22413253
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Chemical Physics; Journal Volume: 141; Journal Issue: 20; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; APPROXIMATIONS; DENSITY; EQUATIONS; EVAPORATION; FREE ENERGY; INTERACTIONS; MEAN-FIELD THEORY; PARTITION FUNCTIONS; POLYMERS; SOLUTIONS; SOLVENTS