Showing 161 - 170 of 532
The localized monolayer adsorption of homonuclear dimers on heterogeneous surfaces with simple topographies is analyzed … triangular lattices. The adsorption process is monitored by following the adsorption isotherms. The scope of the present work is … to determine, via MC simulation and a theoretical model, the general properties of the adsorption of non …
Persistent link: https://www.econbiz.de/10011061281
Kinetics of adsorption–desorption process is studied by Monte Carlo simulation on a square lattice. The depositing … objects are squares covering nine lattice sites. At each Monte Carlo step adsorption is attempted with probability Pa and … adsorption probability to the desorption probability. The dependence of the relaxation time σ on (Pa/Pdes) is described by a …
Persistent link: https://www.econbiz.de/10011062457
boundary conditions are solved numerically. We use simple scaling arguments to investigate the adsorption characteristics to a …
Persistent link: https://www.econbiz.de/10011062471
We consider the application of the integral equation theory to the study of associative fluids in disordered porous networks. The theory also takes into account associative fluid-network interactions. The calculations reported here illustrate the effect of associative forces on the fluid-fluid...
Persistent link: https://www.econbiz.de/10011062776
A simple molecular thermodynamic approach is applied to the study of the adsorption of gases of chain molecules on … extend by including quasi-two-dimensional approximation to describe the adsorption properties of these types of real gas [A … interest. We show that the adsorption isotherms obtained by means of the present SAFT-VR modeling are in fair agreement with …
Persistent link: https://www.econbiz.de/10011062923
The general behavior of enantioselective adsorption by templated chiral substrates is studied in the framework of … lattice-gas and random sequential adsorption theories. The template is assumed to be formed by randomly preadsorbing a chiral … species A on a square lattice of sites. A second chiral probe species, B, thus performs a random sequential adsorption process …
Persistent link: https://www.econbiz.de/10011062933
Local densities of a hard sphere fluid in a cylindrical pore filled with quenched disordered hard-sphere matrix are calculated using Born–Green–Yvon equation with Fisher–Methfessel approximation. The solution of replica Ornstein–Zernike equation in the Percus–Yevick approximation for a...
Persistent link: https://www.econbiz.de/10011063013
We study the adsorption problem of linear polymers, immersed in a good solvent, when the container of the polymer …
Persistent link: https://www.econbiz.de/10011063128
Kinetics of the adsorption–desorption process with diffusional relaxation is studied by Monte-Carlo simulations on a … square lattice. At each Monte-Carlo step three independent processes proceeding in parallel are attempted: adsorption …, desorption and diffusion. The time is measured by the number of adsorption attempts per lattice site and the kinetics of the …
Persistent link: https://www.econbiz.de/10011063727
Grand canonical Monte Carlo simulations have been performed in order to study adsorption thermodynamics of pairwise … strongly correlated surfaces. Adsorption isotherm, adsorption energy and differential heat of adsorption were calculated for … case of adsorption on fractal structures. The influence of ordered structures on thermodynamic quantities associated to the …
Persistent link: https://www.econbiz.de/10011064047