Related papers: Microscopic Theory of Adsorption Kinetics
Hydrophobic hydration plays a crucial role in self-assembly processes over multiple length-scales, but the extrapolation of molecular-scale models to larger length-scale hydration phenomena is sometimes not warranted. Scaled-particle…
In this work we have analyzed the adsorption-desorption kinetics in the framework of the lattice gas model. We have shown that the coefficients representing the transition probabilities must be carefully chosen even when they fulfill the…
On the basis of the information theory approach we propose a novel statistical scheme for analyzing the evolution of coupled adsorbate-substrate systems, in which the substrate undergoes the adsorbate-induced transformations. A relation…
The Young-Dupr\'e equation is a cornerstone of the equilibrium theory of capillary and wetting phenomena. In the biological world, interfacial phenomena are ubiquitous, from the spreading of bacterial colonies to tissue growth and flocking…
Wettability is the affinity of a liquid for a solid surface. For energetic reasons, macroscopic drops of liquid are nearly spherical away from interfaces with solids, and any local deformations due to molecular-scale surface interactions…
In studies of interfaces with dynamic chemical composition, bulk and interfacial quantities coupled via surface conservation laws of excess surface quantities. While this approach is for microscopically sharp interfaces, its applicability…
Atomic structures and adatom geometries of surfaces encode information about the thermodynamics and kinetics of the processes that lead to their formation, and which can be captured by a generative physical model. Here we develop a workflow…
The adsorption phenomenon of neutral particles from the limiting surfaces of the sample in the Langmuir approximation is investigated. The diffusion equation regulating the redistribution of particles in the bulk is assumed to be of…
This work is aimed at understanding the basic principles of adsorption process in great details as adsorptive separation process has broad applications in the industry. To this end, a simple mathematical model has been used to describe…
We explore the pressure of active particles on curved surfaces and its relation to other interfacial properties. We use both direct simulations of the active systems as well as simulations of an equilibrium system with effective (pair)…
The adiabatic compression (or expansion) of an ideal gas has been analysed. Using the kinetic theory of gases the usual relation between temperature and volume is obtained, while textbooks follow a thermodynamic approach. In this way we…
It is a great challenge of nonequilibrium statistical mechanics to calculate entropy production within a microscopic theory. In the framework of linear irreversible thermodynamics, we combine the Mori-Zwanzig-Forster projection operator…
We develop a general hydrodynamic theory describing a system of interacting actively propelling particles of arbitrary shape suspended in a viscous fluid. We model the active part of the particle motion using a slip velocity prescribed on…
Gravity is a macroscopic manifestation of a microscopic quantum theory of space-time, just as the theories of elasticity and hydrodynamics are the macroscopic manifestation of the underlying quantum theory of atoms. The connection of…
We define a diagonal entropy (d-entropy) for an arbitrary Hamiltonian system as $S_d=-\sum_n \rho_{nn}\ln \rho_{nn}$ with the sum taken over the basis of instantaneous energy states. In equilibrium this entropy coincides with the…
We use a stochastic approach to show how Taylor dispersion is affected by kinetic processes of adsorption and desorption onto surfaces. A general theory is developed, from which we derive explicitly the dispersion coefficients of canonical…
The adsorption and dissociation of isolated water molecule on Zr(0001) surface are theoretically investigated for the first time by using density-functional theory calculations. Two kinds of adsorption configurations with almost the same…
When gas atoms or molecules collide with clean and ordered surfaces, under many circumstances the energy-resolved scattering spectra exhibit two clearly distinct features due to direct scattering and to trapping in the physisorption well…
The description of the chemical bond between a solid surface and an atom or a molecule is the fundamental basis for understanding a broad range of scientific problems in heterogeneous catalysis, semiconductor device fabrication, and fuel…
We develop and present a unified multi-scale model (involving three scales of spatial organisation) to study the dynamics of rigid aggregating particles suspended in a viscous fluid medium and subject to a steady poiseuille flow. At…