The authors report adaptive resolution molecular dynamics simulations of a flexible linear polymer in solution. The solvent, i.e., a liquid of tetrahedral molecules, is represented within a certain radius from the polymer's center of mass with a high level of detail, while a lower coarse-grained resolution is used for the more distant solvent. The high resolution sphere moves with the polymer a...

A robust and compact freestanding conducting polymer-based electrode material based on nanocellulose coupled polypyrrole@graphene oxide paper is straightforwardly prepared via in situ polymerization for use in high-performance paper-based charge storage devices, exhibiting stable cycling over 16,000 cycles at 5 A g(-1) as well as the largest specific volumetric capacitance (198 F cm(-3)) so far...

Recent advances in studies of the kinetics of chemical processes in dilute polymer solutions include in— vestigations of hindered rotation in the backbone of flexible chain molecules, of ionic reactions in polyelectrolyte solu— tions, kinetic effects reflecting the local medium in the polymer domain, neighboring group effects in reactiorof polysaccharides and diffusion—controlled intramolecular...

When a flexible polymer is sucked into a localized small hole, the chain can initially respond only locally and the sequential nonequilibrium processes follow in line with the propagation of the tensile force along the chain backbone. We analyze this dynamical process by taking the nonuniform stretching of the polymer into account both with and without hydrodynamics interactions. Earlier conjec...

Polymer based conductive and transparent thin films are an important class of functional materials at the heart flexible organic electronic devices. These prone to degradation mechanical instability leading formation blisters, wrinkles, cracks. This is detrimental their use especially in case multilayer Here, it shown that a simple water or solvent drop deposited on such gives rise buckling sev...

Steric effects on solute diffusion in flexible polymer gels can be described by a very simple mathematical rule.