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Molecular Dynamics simulations of water molecules in nanometre sized cylindrical channels connecting two reservoirs show that the permeation of water is very sensitive to the channel radius and to electric polarization of the embedding…

Soft Condensed Matter · Physics 2009-11-07 Rosalind Allen , Simone Melchionna , Jean-Pierre Hansen

In this note microgels with and without excluded volume interactions are considered. Based on earlier exact computations on Gaussian mircogels, which are formed by self-crosslinking (with $M$ crosslinks) of polymer chains with chain length…

Soft Condensed Matter · Physics 2007-05-23 T. A. Vilgis

A new method of polymer characterization, based on permeation studies using nanoscale pores, was recently proposed by Brochard and de Gennes. In the present paper, we study how this method, initially developped for star polymers can be…

Soft Condensed Matter · Physics 2007-05-23 Cyprien Gay , Elie Raphael

We discuss multiscale simulations of long biopolymer translocation through wide nanopores that can accommodate multiple polymer strands. The simulations provide clear evidence of folding quantization, namely, the translocation proceeds…

Biological Physics · Physics 2009-11-13 Simone Melchionna , Massimo Bernaschi , Maria Fyta , Efthimios Kaxiras , Sauro Succi

We derive scaling relations for the extension statistics and the confinement free energy for a semi-flexible polymer confined to a channel with a rectangular cross-section. Our motivation are recent numerical results [Gupta {\em et al.},…

Soft Condensed Matter · Physics 2015-05-19 E. Werner , B. Mehlig

Polymer materials with low water uptake exhibit a highly heterogeneous interior, characterized by water clusters in the form of nanodroplets and nanochannels. Here, based on our recent insights from computer simulations, we argue that water…

Soft Condensed Matter · Physics 2022-06-16 Matej Kanduč , Rafael Roa , Won Kyu Kim , Joachim Dzubiella

The motion of polymers with inhomogeneous structure through nanopores is discussed theoretically. Specifically, we consider the translocation dynamics of polymers consisting of double-stranded and single-stranded blocks. Since only the…

Statistical Mechanics · Physics 2009-11-11 Stanislav Kotsev , Anatoly B. Kolomeisky

In frameworks of the scaling theory of phase transitions and critical phenomena the quantitative dependence of macroscopic properties on nanostructural parameters in a polymeric material is revealed. The draw ratios at neck and at break are…

Soft Condensed Matter · Physics 2012-10-30 Andrei N. Yakunin

The shape of a polymer plays an important role in determining its interactions with other molecules and with the environment, and is in turn affected by both of them. As a consequence, in the literature the shape properties of a chain in…

Soft Condensed Matter · Physics 2017-07-26 Alberto S. Sassi , Salvatore Assenza , Paolo De Los Rios

We consider an inextensible, semiflexible polymer or worm-like chain which is confined in the transverse direction by a parabolic potential and subject to a longitudinal force at the ends, so that the polymer is stretched out and…

Soft Condensed Matter · Physics 2015-05-28 Theodore W. Burkhardt

Using molecular dynamics simulations we study the static and dynamic properties of spherical nanoparticles (NPs) embedded in a disordered and polydisperse polymer network. Purely repulsive (RNP) as well as weakly attractive (ANP) polymer-NP…

Soft Condensed Matter · Physics 2023-02-15 Valerio Sorichetti , Virginie Hugouvieux , Walter Kob

The aim of this paper is to investigate the distribution of a continuous polymer in the presence of an attractive finitely supported potential. The most intricate behavior can be observed if we simultaneously and independently vary two…

Mathematical Physics · Physics 2020-12-04 L. Koralov , S. Molchanov , B. Vainberg

We investigate the statistical properties of a randomly branched 3--functional $N$--link polymer chain without excluded volume, whose one point is fixed at the distance $d$ from the impenetrable surface in a 3--dimensional space. Exactly…

Statistical Mechanics · Physics 2009-11-10 M. V. Tamm , S. K. Nechaev , I. Ya. Erukhimovich

We study the diffusion of a linear polymer in the presence of permeable membranes without excluded volume interactions, using scaling theory and Monte Carlo simulations. We find that the average time it takes for a chain with polymerization…

Condensed Matter · Physics 2016-08-31 Hyoungsoo Yoon , J. M. Deutsch

The advances in new technologies have prompted the need for functional systems smaller than the gyration radius of polymer chains. Thus, understanding how nanoconfinement affects polymer properties has been the focus of a lot of research…

Soft Condensed Matter · Physics 2010-07-27 Fabrice Cousin , Jérémie Gummel , Daniel Clemens , Isabelle Grillo , François Boué

Polymeric nanoparticles (NPs) have a great application potential in science and technology. Their functionality strongly depends on their size. We present a theory for the size of NPs formed by precipitation of polymers into a bad solvent…

Soft Condensed Matter · Physics 2012-11-06 R. Stepanyan , J. G. J. L. Lebouille , J. J. M. Slot , R. Tuinier , M. A. Cohen Stuart

We examine pressure-driven non-equilibrium transport of linear, circular and star polymers through a nanochannel containing a rectangular pit with full hydrodynamic interactions and thermal fluctuations. We demonstrate that with…

Soft Condensed Matter · Physics 2015-06-18 Santtu T. T. Ollila , Colin Denniston , Mikko Karttunen , Tapio Ala-Nissila

We study the translocation of a semiflexible polymer through a conical channel with attractive surface interactions and a driving force which varies spatially inside the channel. Using the results of the translocation dynamics of a flexible…

Soft Condensed Matter · Physics 2022-11-15 Andri Sharma , Rajeev Kapri , Abhishek Chaudhuri

How the geometry of nano-sized confinement affects dynamics of biomaterials is interesting yet poorly understood. An elucidation of structural details upon nano-sized confinement may benefit manufacturing pharmaceuticals in biomaterial…

Biological Physics · Physics 2015-05-13 Shao-Qing Zhang , Margaret S. Cheung

We expand the blob theory for freely-jointed chains and perform molecular dynamics simulations to study the behavior of polymers confined in cylindrical channels. From weak to strong confinement, five scaling regimes, de Gennes, extended de…

Soft Condensed Matter · Physics 2018-06-18 Yu-Lin Lee , Pai-Yi Hsiao