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We compare the thermodynamic behavior of a finite single nongrafted polymer near an attractive substrate with that of a polymer grafted to that substrate. After we recently found first-order-like signatures in the microcanonical entropy at…
In this paper, we consider a layer of viscous incompressible isotropic micropolar fluid in a uniform gravitational field of finite depth, lying above a flat rigid bottom and below the atmosphere in a three-dimensional horizontally periodic…
Monte Carlo (MC) simulations have been carried out to study the adsorption on square and triangular lattices of particles with two bonding sites that, by decreasing temperature or increasing density, polymerize reversibly into chains with a…
The influence of periodic and random surface textures on the flow structure and effective slip length in Newtonian fluids is investigated by molecular dynamics (MD) simulations. We consider a situation where the typical pattern size is…
The adsorption of a single polymer to a flat surface in shear is investigated using Brownian hydrodynamics simulations and scaling arguments. Competing effects are disentangled: in the absence of hydrodynamic interactions, shear drag…
When a plate is withdrawn from a liquid bath a coating layer is deposited whose thickness and homogeneity depend on the velocity and the wetting properties of the plate. Using a long-wave mesoscopic hydrodynamic description that…
Droplets on a liquid-immersed solid surface are key elements in many applications, such as high-throughput chemical analysis and droplet-templated porous materials. Such surface droplets dissolve when the surrounding liquid is…
Using an adiabatic approximation method, which searches for Tomlinson model-like instabilities for a simple but still realistic model for two crystalline surfaces in the extremely light contact limit, with mobile molecules present at the…
We consider the reversible random sequential adsorption of line segments on a one-dimensional lattice. Line segments of length $l \geq 2$ adsorb on the lattice with a adsorption rate $K_a$, and leave with a desorption rate $K_d$. We…
Using mesoscopic interfacial models and microscopic density functional theory we study fluid adsorption at a dry wall decorated with three completely wet stripes of width $L$ separated by distances $D_1$ and $D_2$. The stripes interact with…
We present a study exploring the range of applicability of a generalized Fick Jacobs equation in the case when diffusive mass transport of a fluid along a pore includes chemical reactions in the bulk and pore surface. The study contemplates…
A microscopic density functional theory is used to investigate the adsorption of short chains on attractive solid surfaces. We analyze the structure of the adsorbed fluid and investigate how the wetting transition changes with the change of…
We consider a single species reaction diffusion system on a two dimensional lattice where the particles $A$ are biased to move towards their nearest neighbours and annihilate as they meet; $A + A \to \emptyset$. Allowing the bias to take…
According to Stokes' law, a moving solid surface experiences dissipation that is linearly related to its velocity and the viscosity of the medium. This linear dependence on viscosity forms the basis for many characterization techniques for…
Motivated by recent research of Nikitin et al. (J.Phys.D vol. 49, 055301(2009)), we examine the effects of interatomic interactions on adatom surface diffusion. By using a mean-field approach in the random walk problem, we derive a…
Diffusion invariably involves motion within a medium. An universal behavior observed is that self diffusivity exhibits a maximum as a function of the size of the diffusant when the diffusant is confined to a medium, as a result of what is…
Inferring properties of macroscopic solutions from molecular simulations is complicated by the limited size of systems that can be feasibly examined with a computer. When long-ranged electrostatic interactions are involved, the resulting…
An applied tension force changes the equilibrium conformations of a polymer chain tethered to a planar substrate and thus affects the adsorption transition as well as the coil-globule and crystallization transitions. Conversely, solvent…
We show the impact that scalar structures deformation and mixing has on the fate of plumes of waterborne contaminant transported through a chemically heterogeneous, partially adsorbing porous medium. Via pore-scale simulations, we follow…
Using molecular dynamics simulations we investigate the finite-size dependence of the dynamical properties of a diatomic supercooled liquid. The simplicity of the molecule permits us to access the microsecond time scale. We find that the…