Universal description of steric hindrance in flexible polymer gels

文献情報

出版日 2021-06-28

DOI 10.1039/D1CP02113C

インパクトファクター 3.676

著者

Manuel Quesada-Pérez, José Alberto Maroto-Centeno, María del Mar Ramos-Tejada

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要旨

In this work, the long-time diffusion of a solute in a chemically crosslinked and flexible hydrogel is computed from a bead-spring model of a polymeric network to assess the effect of steric obstruction. The relative diffusivities obtained for a wide variety of systems can be described by an exponential decay depending on a parameter that differs from that employed for rigid gels. The mathematical expression derived here can approximately predict the diffusivity in flexible gels if steric hindrance is the mechanism ruling diffusion.

掲載誌

Physical Chemistry Chemical Physics

CiteScore: 5.5

自己引用率: 10.3%

年間論文数: 3036

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.