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The irreversible adsorption of polymers to a two-dimensional solid surface is studied. An operator formalism is introduced for chemisorption from a polydisperse solution of polymers which transforms the analysis of the adsorption process to…

Chemical Physics · Physics 2009-11-13 Radek Erban , Jonathan Chapman

We study irreversible polymer adsorption from dilute solutions theoretically. Universal features of the resultant non-equilibrium layers are predicted. Two cases are considered, distinguished by the value of the local monomer-surface…

Soft Condensed Matter · Physics 2009-11-10 Ben O'Shaughnessy , Dimitrios Vavylonis

We have developed a simulation model to describe particle adsorption to and desorption from liquid interfaces. Using this model we formulate a closed interfacial equation of state for repulsive elastic spheres. The effect of a long-range…

Soft Condensed Matter · Physics 2011-02-24 Robert D. Groot , Simeon D. Stoyanov

A model for the adsorption of a binary mixture on a one-dimensional infinite lattice with nearest neighbour cooperative effects is considered. The particles of the two species are both monomers but differ in the repulsive interaction…

Statistical Mechanics · Physics 2010-04-20 A. Prados , J. J. Brey

We report results of molecular dynamics simulations to understand the role of solute and solute-solvent interaction on solute diffusivity in a solid solution within a body centered cubic solid when the solute size is significantly smaller…

Soft Condensed Matter · Physics 2008-11-25 Manju Sharma , S. Yashonath

Random sequential adsorption of linear and square particles with excluded volume interaction is studied numerically on planar lattices considering Gaussian distributions of lateral sizes of the incident particles, with several values of the…

Statistical Mechanics · Physics 2016-10-03 Rogerio Costa Hart , Fabio David Alves Aarão Reis

Here we address a fundamental issue in surface physics: the dynamics of adsorbed molecules. We study this problem when the particle's desorption is characterized by a non Markovian process, while the particle's adsorption and its motion in…

Statistical Mechanics · Physics 2009-11-10 Jorge A. Revelli , Carlos. E. Budde , Domingo Prato , Horacio S. Wio

We investigate excluded-volume effects in a bidisperse colloidal suspension near a flexible interface. Inspired by a recent experiment by Dinsmore et al. (Phys. Rev, Lett. 80, 409 (1998)), we study the adsorption of a mesoscopic bead on the…

Soft Condensed Matter · Physics 2009-11-10 Thomas Bickel

We study zero-range processes which are known to exhibit a condensation transition, where above a critical density a non-zero fraction of all particles accumulates on a single lattice site. This phenomenon has been a subject of recent…

Statistical Mechanics · Physics 2015-03-14 Paul Chleboun , Stefan Grosskinsky

We present a theory for the kinetics of surfactant adsorption at the interface between an aqueous solution and another fluid (air, oil) phase. The model relies on a free-energy formulation. It describes both the diffusive transport of…

Condensed Matter · Physics 2007-05-23 H. Diamant , D. Andelman

We study the finite-size corrections of the dimer model on $\infty \times N$ square lattice with two different boundary conditions: free and periodic. We find that the finite-size corrections depend in a crucial way on the parity of $N$,…

Statistical Mechanics · Physics 2008-04-24 Nickolay Sh. Izmailian , Vyatcheslav B. Priezzhev , Philippe Ruelle

When a fluid flows past a solid surface, its macroscopic motion arises from a subtle interplay between microscopic hydrodynamic and thermodynamic effects at the fluid-solid interface. Classical hydrodynamic models often rely on an…

Fluid Dynamics · Physics 2026-02-04 Haodong Zhang , Fei Wang , Britta Nestler

We review a new theoretical approach to the kinetics of surfactant adsorption at fluid-fluid interfaces. It yields a more complete description of the kinetics both in the aqueous solution and at the interface, deriving all equations from a…

Soft Condensed Matter · Physics 2012-07-19 H. Diamant , D. Andelman

We study the adsorption-desorption of fluid molecules on a solid substrate by introducing a schematic model in which the adsorption/desorption transition probabilities are given by irreversible kinetic constraints with a tunable violation…

Statistical Mechanics · Physics 2019-11-27 Mauro Sellitto

We address the dynamics of adsorbed molecules (a fundamental issue in surface physics) within the framework of a Master Equation scheme, and study the diffusion of particles in a finite cubic lattice whose boundaries are at the $z=1$ and…

Statistical Mechanics · Physics 2009-11-10 Jorge A. Revelli , Carlos. E. Budde , Domingo Prato , Horacio S. Wio

We investigate finite-size effects on diffusion in confined fluids using molecular dynamics simulations and hydrodynamic calculations. Specifically, we consider a Lennard-Jones fluid in slit pores without slip at the interface and show that…

Computational Physics · Physics 2017-03-16 Pauline Simonnin , Benoit Noetinger , Carlos Nieto-Draghi , Virginie Marry , Benjamin Rotenberg

We consider the adsorption of a semiflexible polymer chain onto interfaces and surfaces by using the differential equation of the distribution function $G(R,L)$ of the end-to-end distance $R$, which is associated with the moment expansion…

Soft Condensed Matter · Physics 2009-11-07 Semjon Stepanow

Using extensive Monte Carlo simulations, we investigate the surface adsorption of self-avoiding trails on the triangular lattice with two- and three-body on-site monomer-monomer interactions. In the parameter space of two-body, three-body,…

Statistical Mechanics · Physics 2020-01-01 Nathann T. Rodrigues , Tiago J. Oliveira , Thomas Prellberg , Aleksander L. Owczarek

We use a simple generic model to study the desorption of atoms from a solid surface in contact with a liquid, by using a combination of Monte Carlo and molecular dynamics simulations. The behavior of the system depends on two parameters:…

Chemical Physics · Physics 2022-11-16 Krishna Jaiswal , Horia Metiu , Vishal Agarwal

We report differences in adsorption and reaction energetics for ethylene on Si(001) with respect to different dangling bond configurations induced by hydrogen precoverage as obtained via density functional theory calculations. This can help…

Chemical Physics · Physics 2016-12-06 Josua Pecher , Gerson Mette , Michael Dürr , Ralf Tonner