Brownian non-Gaussian polymer diffusion and queing theory in the mean-field limit

We link the Brownian non-Gaussian diffusion of a polymer center of mass to a microscopic cause: the polymerization/depolymerization phenomenon occurring when the polymer is in contact with a monomer chemostat. The anomalous behavior is triggered by the polymer critical point, separating the dilute and the dense phase in the grand canonical ensemble. In the mean-field limit we establish contact with queuing theory and show that the kurtosis of the polymer center of mass diverges alike a response function when the system becomes critical, a result which holds for general polymer dynamics (Zimm, Rouse, reptation). Both the equilibrium and nonequilibrium behaviors are solved exactly as a reference study for novel stochastic modeling and experimental setup.

Motif-pattern dependence of biomolecular phase separation driven by specific interactions

Eukaryotic cells partition a wide variety of important materials and processes into biomolecular condensates—phase-separated droplets that lack a membrane. In addition to nonspecific electrostatic or hydrophobic interactions, phase separation also depends on specific binding motifs that link together constituent molecules. Nevertheless, few rules have been established for how these ubiquitous specific, saturating, motif-motif interactions drive phase separation. By integrating Monte Carlo simulations of lattice-polymers with mean-field theory, we show that the sequence of heterotypic binding motifs strongly affects a polymer’s ability to phase separate, influencing both phase boundaries and condensate properties (e.g. viscosity and polymer diffusion). We find that sequences with large blocks of single motifs typically form more inter-polymer bonds, which promotes phase separation. Notably, the sequence of binding motifs influences phase separation primarily by determining the conformational entropy of self-bonding by single polymers. This contrasts with systems where the molecular architecture primarily affects the energy of the dense phase, providing a new entropy-based mechanism for the biological control of phase separation.

Diffusion Model of Parallel Plate Crack Grouting Based on Foaming Expansion Characteristics of Polymer Slurry

Polymers as a new chemical grouting material have been widely used in fractured rock mass; however, the understanding of polymer diffusion characteristics still needs to be further improved. In order to study the diffusion mechanism of foamed polymer slurry in rock fissures, the radial diffusion model of polymer single crack grouting is derived in consideration of the factors such as grouting volume, crack width and expansion rate. The influence of different factors on slurry diffusion radius, diffusion pressure and flow rate is analyzed, The diffusion model is verified by finite element numerical simulation. The findings show that (1) The results of slurry diffusion radius, pressure and velocity distribution at different times under different working conditions in the present model are in good agreement with the analytical solution; (2) The diffusion pressure is directly proportional to the grouting volume and expansion multiple, and inversely proportional to the crack width. In addition, diffusion pressure decreases with the increase of diffusion distance, and the pressure at the corresponding distance increases slowly with time, and finally tends to be stable; (3) For the same section, the radial velocity decreases slowly with the increase of time; for different sections, the flow velocity increases sharply with the increase of the distance between the section and the central axis of the grouting hole.

Theory of polymer diffusion in polymer-nanoparticle mixtures: effect of nanoparticle concentration and polymer length

The dynamics of polymer-nanoparticle (NP) mixtures, which involves multiple scales and system-specific variables, has posed a long-standing challenge on its theoretical description. In this paper, we construct a microscopic theory...

Modeling of Entangled Polymer Diffusion in Melts and Nanocomposites: A Review

This review concerns modeling studies of the fundamental problem of entangled (reptational) homopolymer diffusion in melts and nanocomposite materials in comparison to experiments. In polymer melts, the developed united atom and multibead spring models predict an exponent of the molecular weight dependence to the polymer diffusion very similar to experiments and the tube reptation model. There are rather unexplored parameters that can influence polymer diffusion such as polymer semiflexibility or polydispersity, leading to a different exponent. Models with soft potentials or slip-springs can estimate accurately the tube model predictions in polymer melts enabling us to reach larger length scales and simulate well entangled polymers. However, in polymer nanocomposites, reptational polymer diffusion is more complicated due to nanoparticle fillers size, loading, geometry and polymer-nanoparticle interactions.