Related papers: Intermolecular Adhesion in Conjugated Polymers
A novel statistical model for the cooperative binding of monomeric ligands to a linear lattice is developed to study the interaction of ionic surfactant molecules with flexible polyion chain in dilute solution. Electrostatic binding of a…
Electron's tunneling through potential barrier in monolayer and bilayer graphene lattices is investigated by using full tight-binding model. Emphasis is placed on the resonance tunneling feature and inter-valley scattering probability. It…
In this thesis the formation and properties of a polymer gel on and at a surface are investigated. The gel under investigation is defined as a three-dimensional network of "phantom" macromolecules that form permanent links with one another…
We consider tunneling of two interacting atoms with an even spatial symmetry. The atoms are prepared in two lowest excited states with respect to relative and center-of-mass motions. We observe monotonic and non-monotonic dependence of the…
Polymer self-adhesion due to the interdiffusion of macromolecules has been an active area of research for several decades [70, 43, 62, 42, 72, 73, 41]. Here, we report a new phenomenon of sub-Tg, solid-state, plasticity-induced bonding;…
We make use of the previously developed formalism for a monomer ensemble and include angular dependence of the segments of the polymer chains thus described. In particular we show how to deal with stiffness when the polymer chain is…
. We consider three dimensional model of the Gaussian polymer chain in the presence of defects to understand the formation of a polymer aggregate where the aggregate is induced by the defects. The defects are acting as an attractive centres…
We study the propagation of solitons on complex chains built by inserting finite graphs at two sites of an unbranched chain. We compare numerical findings with the results of an analytical linear approximation scheme describing the…
Polymer chains decorated with a fraction of monomers capable of forming reversible bonds form transient polymer networks that are important in soft and biological systems. If chains are flexible and the attractive monomers are all of the…
Polymerization and formation of crosslinked polymer networks are important processes in manufacturing, materials fabrication, and in the case of hydrated polymer networks, synthesis of biomedical materials, drug delivery, and tissue…
By means of Langevin dynamics simulations, we investigate the gel formation of randomly functionalized polymers in solution, with the ability to form both intra- and intermolecular reversible bonds. Under highly dilute conditions, these…
The 2-fold degeneracy of the ground state of a quasi-one-dimensional system allows it to support topological excitations such as solitons. We study the combined effects of Coulomb interactions and confinement due to interchain coupling on…
In biology, there are several processes in which unfolded protein chains are transported along narrow-tube channels. Normally, without such a severe configurational constraint, unfolded polypeptides would not bind to each other. However,…
We experimentally investigate the structural behavior of an interacting colloidal monolayer being driven across a decagonal quasiperiodic potential landscape created by an optical interference pattern. When the direction of the driving…
Using molecular dynamics simulation of a standard bead-spring model we investigate the density crossover scaling of strictly two-dimensional self-avoiding polymer chains focusing on properties related to the contact exponent set by the…
We present the results of analytic calculations and numerical simulations of the behaviour of a new class of chain molecules which we call thick polymers. The concept of the thickness of such a polymer, viewed as a tube, is encapsulated by…
We simulate structural phase behavior of polymer-grafted colloidal particles by molecular Monte Carlo technique. Interparticle potential, which has a finite repulsive square-step outside a rigid core of the colloid, was previously confirmed…
The collapse and swelling behavior of a generic homopolymer is studied using implicit-solvent, explicit-cosolvent Langevin dynamics computer simulations for varying interaction strengths. The systematic investigation reveals that polymer…
Transport and non-equilibrium magnetization in monolayers of magnetic molecules subject to a bias voltage are considered. We apply a master-equation approach going beyond the sequential-tunneling approximation to study the Coulomb-blockade…
We investigate localized intragap states in mixed-valence bimetal chains in an attempt to encourage further explorations into quasi-one-dimensional halogen-bridged binuclear metal (MMX) complexes. Within a coupled electron-phonon model,…