Sorption and diffusion of water in poly(vinylpyrrolidone)

Чалых, А. Е.; Герасимов, В. К.; Щербина, А. А.; Kulagina, G. S.; Хасбиуллин, Р. Р.

doi:10.1134/s0965545x08060060

Cited by 10 publications

(14 citation statements)

References 5 publications

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“…and in relaxation time Т 1 [12,13]. In the region of inflection on the curves g*(θ), a further sharp fall in the value of g* occurs corresponding to the transition of samples from the glassy to highly elastic state [9,10]. This process is also consistent with the beginning of clustering of water molecules, respectively, with the decrease of the spin lattice relaxation time and approximation of the sorbate structure to the bulk phase [12,13].…”

Section: Resultssupporting

confidence: 52%

“…According to the theory of bimodal sorption [8] on the first convex region of the sorption isotherms, the polymer remains in the glassy state and the equilibrium can be described by the Langmuir equation. In the inflection of the isotherm, the transi tion of the polymer to the highly elastic state begins, and the concave region corresponds to the FloryHuggins equation [9,10]. The latter situation is ana lyzed above and corresponds to the increase in the sys tem volume.…”

Section: Introductionmentioning

confidence: 98%

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Osmotic phenomena in polymer sorption systems

Grebennikov

Vnuchkin

2012

Prot Met Phys Chem Surf

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Sorption of vapors of low molecular weight compounds by polymers is accompanied by the for mation of a solution in which opposing forces associated with the swelling pressure and the elastic force of the polymer matrix take place. Thermodynamic analysis allowed us to propose dependences for the calculation of the effective osmotic coefficient via the parameter of the sorption isotherm equation. Volumetric deforma tion in a number of polymer systems was measured, and its relation to the values of osmotic coefficient was shown.

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Section: Resultssupporting

confidence: 52%

Section: Introductionmentioning

confidence: 98%

Osmotic phenomena in polymer sorption systems

Grebennikov

Vnuchkin

2012

Prot Met Phys Chem Surf

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Section: Introductionmentioning

confidence: 99%

“…Water-sorption isotherms of PVP-based polymers were frequently investigated in literature [4][5][6][7][8]. Chalykh et al [5] measured and modeled water-sorption isotherms of PVP which could not be described using the classical Flory-Huggins approach. The parts of the water-sorption isotherm where the polymer remained glassy were concave while the parts where the polymer became rubbery were convex.…”

Section: Introductionmentioning

confidence: 99%

Water Sorption in Glassy Polyvinylpyrrolidone-Based Polymers

2022

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Polyvinylpyrrolidone (PVP)-based polymers are excellent stabilizers for food supplements and pharmaceutical ingredients. However, they are highly hygroscopic. This study measured and modeled the water-sorption isotherms and water-sorption kinetics in thin PVP and PVP-co-vinyl acetate (PVPVA) films. The water sorption was measured at 25 °C from 0 to 0.9 RH, which comprised glassy and rubbery states of the polymer-water system. The sorption behavior of glassy polymers differs from that in the rubbery state. The perturbed-chain statistical associating fluid theory (PC-SAFT) accurately describes the water-sorption isotherms for rubbery polymers, whereas it was combined with the non-equilibrium thermodynamics of glassy polymers (NET-GP) approach to describe the water-sorption in the glassy polymers. Combined NET-GP and PC-SAFT modeling showed excellent agreement with the experimental data. Furthermore, the transitions between the PC-SAFT modeling with and without NET-GP were in reasonable agreement with the glass transition of the polymer-water systems. Furthermore, we obtained Fickian water diffusion coefficients in PVP and in PVPVA from the measured water-sorption kinetics over a broad range of humidities. Maxwell-Stefan and Fickian water diffusion coefficients yielded a non-monotonous water concentration dependency that could be described using the free-volume theory combined with PC-SAFT and NET-GP for calculating the free volume.

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“…In contrast, a narrow peak on the RDF from 0.15 to 0.26 nm related to O6–Hw interactions can be attributed to hydrogen bonding. It is well known that PVP absorbs water well [40], probably, due to the PVP ability to take part in hydrogen bonding with the solvent molecules. To quantify a specific interaction between the polymer and solvent, we calculated the average number of hydrogen bonds per PVP monomer unit (<n HB >) (Figure 6, Table 2).…”

Section: Resultsmentioning

confidence: 99%

Water Effects on Molecular Adsorption of Poly(N-vinyl-2-pyrrolidone) on Cellulose Nanocrystals Surfaces: Molecular Dynamics Simulations

et al. 2019

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Models of interaction between a poly(N-vinyl-2-pyrrolidone) macromolecule and a fragment of Iβ-cellulose were built in a vacuum and water environment. The models were made to interpret the mechanism of interaction of the polymer and cellulose nanocrystals by the classical molecular dynamics method. The structural behavior of a poly(N-vinyl-2-pyrrolidone) macromolecule in water has been studied in terms of the radius of gyration, atom–atom radial distribution functions and number of hydrogen bonds. It was found that the polymer has a high affinity with the solvent and each monomer unit has on average 0.5 hydrogen bonds. The structural and energy characteristics of the polymer adsorption were investigated at different initial positions of the poly(N-vinyl-2-pyrrolidone) macromolecule relative to the cellulose fragment. It was observed that the polymer macromolecule was mainly adsorbed on the cellulose fragment in the globular form. Moreover, in the solvent the interaction of poly(N-vinyl-2-pyrrolidone) with the cellulose hydrophobic surface was stronger than that with the hydrophilic one. This study will show that the presence of water makes the interaction between the polymer and cellulose weaker than in a vacuum, and the polymer and cellulose mainly interact through their solvation shells.

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Sorption and diffusion of water in poly(vinylpyrrolidone)

Cited by 10 publications

References 5 publications

Osmotic phenomena in polymer sorption systems

Osmotic phenomena in polymer sorption systems

Water Sorption in Glassy Polyvinylpyrrolidone-Based Polymers

Water Effects on Molecular Adsorption of Poly(N-vinyl-2-pyrrolidone) on Cellulose Nanocrystals Surfaces: Molecular Dynamics Simulations

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