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In this work we study the multilayer adsorption of polyatomic species on homogeneous and heterogeneous bivariate surfaces. A new approximate analytic isotherm is obtained and validated by comparing with Monte Carlo simulation. Then, we use…
We study the ballistic adsorption of a polydisperse mixture of spheres onto a line. Within a mean-field approximation, the problem can be analytically solved by means of a kinetic equation for the gap distribution. In the mean-field…
Biological tissues are complex structures composed of many elements which make light-based tissue diagnostics challenging. Over the past decades, Monte Carlo technique has been used as a fundamental and versatile approach toward modeling…
Molecular communication (MC) can enable the transfer of information between nanomachines using molecules as the information carrier. In MC systems, multiple receiver nanomachines often co-exist in the same communication channel to serve…
A non-equilibrium thermodynamics model able to analyze the combined effect of diffusion and adsorption in porous materials is proposed. The model considers the coupled dynamics of the diffusive phase, described by a diffusion type equation,…
We propose a mathematical model for computing drug release from multi-layer capsules. The diffusion problem in such heterogeneous layer-by-layer composite medium is described by a system of coupled partial differential equations, which we…
Manipulating fluids at the nanoscale within networks of channels or chemical lanes is a crucial challenge in developing small scale devices to be used in microreactors or chemical sensors. In this context, ultra-thin (i.e., monolayer)…
In a theoretical study of gas adsorption on carbon nanotubes (CNT) nonequilibrium processes of ionization, polarization, surface diffusion and desorption of atoms are considered self-consistently. The approach is based on Zubarev's method…
Close to a solid surface, the properties of a fluid deviate significantly from their bulk values. In this context, we study the surface adsorption profiles of a symmetric binary liquid confined to a slit pore by means of molecular dynamics…
We consider binary liquid mixtures near their critical consolute points and exposed to geometrically flat but chemically structured substrates. The chemical contrast between the various substrate structures amounts to opposite local…
Mathematical modelling is a widely used approach to understand and interpret clinical trial data. This modelling typically involves fitting mechanistic mathematical models to data from individual trial participants. Despite the widespread…
Absorption of surface acoustic waves by a two-dimensional electron gas in a perpendicular magnetic field is considered. The structure of such system at the filling factor $\nu$ close to 1/2 can be understood as a gas of {\em composite…
This article surveys nonlinear model reduction methods that remain effective in regimes where linear reduced-space approximations are intrinsically inefficient, such as transport-dominated problems with wave-like phenomena and moving…
Nonlinear hopping absorption of ultrasound and electromagnetic waves in amorphous and doped semiconductors is considered. It is shown that even at low amplitudes of the electric (or acoustic) field the nonlinear corrections to the…
We describe a simple coarse-grained model which is suited to study lipid layers and their phase transitions. Lipids are modeled by short semiflexible chains of beads with a solvophilic head and a solvophobic tail component. They are forced…
Molecular communications is a promising framework for the design of controlled-release drug delivery systems. In this framework, drug carriers are modeled as transmitters, the diseased cells as absorbing receivers, and the channel between…
Non-monotonic retention profiles (NRP) have been observed in numerous studies of colloidal-nano flows in porous media. For the first time, we explain the phenomenon by distributed particle properties (size, shape, surface charge). We…
Molecular representation learning has shown great success in advancing AI-based drug discovery. The core of many recent works is based on the fact that the 3D geometric structure of molecules provides essential information about their…
We analyze response of a macromolecule near to a substrate; the substrate is tiled in the sequential and specific manner so that repeat units of the macromolecule may have different response on its adsorption in different directions onto…
A detailed investigation of the nonlinear multimodal interference in a short graded-index multimode optical fiber is presented. The analysis is performed for a specific device geometry, where the light is coupled in and out of the multimode…