Diffusive properties of solvent molecules in the neighborhood of a polymer chain as seen by Monte-Carlo simulations

التفاصيل البيبلوغرافية
العنوان: Diffusive properties of solvent molecules in the neighborhood of a polymer chain as seen by Monte-Carlo simulations
المؤلفون: Jakub Saramak, Marcin Kozanecki, Krzysztof Matyjaszewski, Krzysztof Halagan
المصدر: Soft matter. 12(25)
سنة النشر: 2016
مصطلحات موضوعية: chemistry.chemical_classification, Quantitative Biology::Biomolecules, Chemistry, Monte Carlo method, Theta solvent, Polymer architecture, 02 engineering and technology, General Chemistry, Polymer, 010402 general chemistry, 021001 nanoscience & nanotechnology, Condensed Matter Physics, Thermal diffusivity, 01 natural sciences, 0104 chemical sciences, Condensed Matter::Soft Condensed Matter, Solvent, Chemical physics, Polymer chemistry, Molecule, Physics::Chemical Physics, Solvent effects, 0210 nano-technology
الوصف: The influence of both polymer chain length and concentration on the mobility of solvent molecules in polymer solutions was studied by Monte Carlo simulations with the use of the dynamic lattice liquid (DLL) model. The poly(vinylmethylether)-water system was used as a model. Two different solvent (water) states with differing mobilities were distinguished in polymer solutions. The first one with high molecular mobility independent of polymer concentration corresponds to bulk solvent in real systems. The second state relates to so called bound solvent. In this case the solvent diffusivity decreases with polymer content. For diluted solutions the diffusion of bound solvent is affected by polymer chain length, precisely, by the ability of the polymer chain to undergo coil formation.
تدمد: 1744-6848
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::eb0c1e8ecbde65042b421569b4ee4b8b
https://pubmed.ncbi.nlm.nih.gov/27156478
Rights: OPEN
رقم الانضمام: edsair.doi.dedup.....eb0c1e8ecbde65042b421569b4ee4b8b
قاعدة البيانات: OpenAIRE