The local phase transitions of the solvent in the neighborhood of a solvophobic polymer at high pressures
Creators
- 1. Department of Chemistry, Lomonosov Moscow State University, Moscow (Russian Federation)
- 2. National Research University Higher School of Economics, Moscow (Russian Federation)
- 3. G.A. Krestov Institute of Solution Chemistry of the Russian Academy of Sciences, Ivanovo (Russian Federation)
- 4. Istituto Italiano di Tecnologia, via Morego 30, Genova 16163 (Italy)
- 5. Institut für Nichtklassische Chemie e.V., Universitat Leipzig, Leipzig (Germany)
- 6. Ivanovo State University, Ivanovo (Russian Federation)
- 7. Max Planck Institute for Mathematics in the Sciences, Leipzig (Germany)
- 8. Institute of Theoretical and Experimental Biophysics, Russian Academy of Science, Pushchino, Moscow Region (Russian Federation)
- 9. Max Planck Institute for the Physics of Complex Systems, Dresden (Germany)
Description
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
Additional details
Identifiers
- DOI
- 10.1063/1.4902092;
- arXiv
- arXiv:1411.1975v1;
Publishing Information
- Journal Title
- Journal of Chemical Physics
- Journal Volume
- 141
- Journal Issue
- 20
- Journal Page Range
- p. 204904-204904.8
- ISSN
- 0021-9606
- CODEN
- JCPSA6
INIS
- Country of Publication
- United States
- Country of Input or Organization
- International Atomic Energy Agency (IAEA)
- INIS RN
- 46119116
- Subject category
- S37: INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY;
- Descriptors DEI
- APPROXIMATIONS; DENSITY; EQUATIONS; EVAPORATION; FREE ENERGY; INTERACTIONS; MEAN-FIELD THEORY; PARTITION FUNCTIONS; POLYMERS; SOLUTIONS; SOLVENTS
- Descriptors DEC
- CALCULATION METHODS; DISPERSIONS; ENERGY; FUNCTIONS; HOMOGENEOUS MIXTURES; MIXTURES; PHASE TRANSFORMATIONS; PHYSICAL PROPERTIES; THERMODYNAMIC PROPERTIES
Optional Information
- Notes
- (c) 2014 AIP Publishing LLC