Related papers: Modeling the Generic Breakthrough Curve for Adsorp…
Lattice model of directed self avoiding walk is used to investigate adsorption properties of a semiflexible sequential copolymer chain on an impenetrable curved surface on a hexagonal lattice in two dimensions. Walks of the copolymer chains…
The pair-contact process with diffusion (PCPD), a generalized model of the ordinary pair-contact process (PCP) without diffusion, exhibits a continuous absorbing phase transition. Unlike the PCP, whose nature of phase transition is clearly…
Breathing transitions represent recently discovered adsorption-induced structural transformations between large-pore and narrow-pore conformations in bistable metal-organic frameworks, such as MIL-53. We present a multiscale physical…
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…
The sorption curve is an essential feature for the modelling of heat and mass transfer in porous building materials. Several models have been proposed in the literature to represent the amount of moisture content in the material according…
Size segregation in bedload transport is studied numerically with a coupled fluid-discrete element model. Starting from an initial deposit of small spherical particles on top of a large particle bed, the segregation dynamics of the bed is…
A microscopic model of adsorption in cluster forming systems with competing interaction is considered. The adsorption process is described by the master equation and modelled by a kinetic Monte Carlo method. The evolution of the particle…
A mean field model is used to investigate if a plateau in caloric curve can be reached in mononuclear configuration. In the model the configuration will break up into many pieces as the plateau is approached.
A mathematical model describing the erosion or leaching of a solid material by a flowing fluid in a column is developed. This involves an advection-diffusion equation coupled to a linear kinetic reaction describing the mass transfer between…
In this paper, we introduce a novel, adapted approach for computing gas adsorption properties in porous materials. We analyze the Dubinin-Polanyi's adsorption model and investigate various frameworks to estimate its required essential…
The present paper presents an experimental and numerical investigation of the dispersion of the gaseous jet flow and co-flow for the simple unit cell (SUC) and body centered cubic (BCC) configuration of particles in packed beds. The…
Both simple and sophisticated models are frequently used in an attempt to understand how real nuclei breakup when subjected to large excitation energies, a process known as nuclear multifragmentation. Many of these models assume…
We study in further detail particle models displaying a boundary-induced absorbing state phase transition [Phys. Rev. E. {\bf 65}, 046104 (2002) and Phys. Rev. Lett. {\bf 100}, 165701 (2008)] . These are one-dimensional systems consisting…
We investigate adsorption of a gas on the flat surface of a solid deformable adsorbent taking into account thermal fluctuations and analyze in detail the effect of thermal fluctuations on the adsorbent deformation in adsorption. The…
This study presents a systematic machine learning approach for creating efficient hybrid models and discovering sorption uptake models in non-linear advection-diffusion-sorption systems. It demonstrates an effective method to train these…
The disjoining pressure isotherm in foam films is theoretically studied and an important contribution of adsorption is discovered. On the basis of the interfacial thermodynamics an adsorption disjoining pressure component is derived, which…
Despite the ubiquity of fluid flows interacting with porous and elastic materials, we lack a validated non-empirical macroscale method for characterizing the flow over and through a poroelastic medium. We propose a computational tool to…
Translational diffusion coefficients are routinely estimated from molecular dynamics simulations. Linear fits to mean squared displacement (MSD) curves have become the de facto standard, from simple liquids to complex biomacromolecules.…
Metasurface based super absorbers exhibit near unity absorbance. While the absorption peak can be tuned by the geometry/size of the sub-wavelength resonator, broadband absorption can be obtained by placing multiple resonators of various…
This work presents a mathematical model of an adsorption column to study the evolution of contaminant concentration and adsorbed quantity along the longitudinal axis of the filter. The model is formulated as a system of partial differential…