Related papers: Kinetics of Catalysis with Surface Disorder
We study analytically and numerically a model of random sequential adsorption (RSA) of segments on a line, subject to some constraints suggested by two kinds of physical situations: - deposition of dimers on a lattice where the sites have a…
We present an analytic approach to study concurrent influence of quenched non-magnetic site-dilution and finiteness of the lattice on the 2D XY model. Two significant deeply connected features of this spin model are: a special type of…
The behavior of electrolyte solutions close to a charged surface is studied theoretically. A modified Poisson-Boltzmann equation which takes into account the volume excluded by the ions in addition to the electrostatic interactions is…
Surface properties of mixtures of charged platelike colloids and salt in contact with a charged planar wall are studied within density functional theory. The particles are modeled by hard cuboids with their edges constrained to be parallel…
In detailed microcanonical analyses of densities of states obtained by extensive multicanonical Monte Carlo computer simulations, we investigate the caloric properties of conformational transitions adsorbing polymers experience near…
We report about a mechanism for surface localization, present in finite defect-free polyatomic lattices described by a tight binding model. Numerical diagonalization and degenerated perturbation theory show that there is a minimum number of…
Heterogeneous catalysts consisting of supported metallic nanoparticles typically derive exceptional catalytic activity from their large proportion of under-coordinated surface sites which promote adsorption of reactant molecules.…
The first theoretical study of a dimer's adsorption process at homogenous surface is presented. By using the RSA algorithm, we show example monolayers, discuss estimations of random jamming coverage and measure the surface blocking…
The effect of different move sets on the folding kinetics of the Monte Carlo simulations is analysed based on the conformation-network and the temperature-dependent folding kinetics. A new scheme of implementing Metropolis algorithm is…
In lattice models local pressure on a surface is derived from the change in the free energy of the system due to the exclusion of a certain boundary site, while the total force on the surface can be obtained by a similar exclusion of all…
Molecular isomerization kinetics in liquid solvents are determined by a complex interplay between the friction acting on a rotating dihedral due to interactions with the solvent, internal dissipation effects (also known as internal…
The change in the lattice parameters or the lattice disorder is claimed as a cause of the slight reduction in the transition temperature by carbon doping in MgB2. In this work, an extensive investigation on the effects of carbohydrate…
We study the reaction kinetics of end-functionalized polymer chains dispersed in an unreactive polymer melt. Starting from an infinite hierarchy of coupled equations for many-chain correlation functions, a closed equation is derived for the…
According to the Kosterlitz-Thouless-Theory two-dimensional solid films melt by the unbinding of dislocation pairs. A model including quenched random impurities was already studied by Nelson [Phys. Rev. B 27 (1983) 2902], who predicted a…
The effect of sequence heterogeneity on the dynamics of molecular motors is reviewed and analyzed using a set of recently introduced lattice models. First, we review results for the influence of heterogenous tracks such as a single-strand…
In this paper we extend the Gaussian self-consistent method to permit study of the equilibrium and kinetics of conformational transitions for heteropolymers with any given primary sequence. The kinetic equations earlier derived by us are…
In this study the magnetization phenomenon has been investigated as a behavior of interacting elementary moments ensemble, with the help of Ising model [1] in the frame of non-extensive statistical mechanics. To investigate the physical…
We consider the reversible adsorption of dimers on a regular lattice, where adsorption occurs on a finite fraction of sites selected randomly. By comparing this system to the pure system where all sites are available for adsorption, we show…
The equilibrium properties of hard rod monolayers are investigated in a lattice model (where position and orientation of a rod are restricted to discrete values) as well as in an off--lattice model featuring spherocylinders with continuous…
We consider the ordered and disordered dynamics for monolayers of rolling self-interacting particles with an offset center of mass and a non-isotropic inertia tensor. The rolling constraint is considered as a simplified model of a very…