Informacja

Drogi użytkowniku, aplikacja do prawidłowego działania wymaga obsługi JavaScript. Proszę włącz obsługę JavaScript w Twojej przeglądarce.

Tytuł pozycji:

The effect of interconnections on gas adsorption in materials with spherical mesopores: A Monte Carlo simulation study.

Tytuł:
The effect of interconnections on gas adsorption in materials with spherical mesopores: A Monte Carlo simulation study.
Autorzy:
Maximov, Max A.
Molina, Marcos
Gor, Gennady Y.
Temat:
GAS absorption & adsorption
MONTE Carlo method
PORE size distribution
MESOPOROUS materials
DENSITY functionals
ADSORPTION isotherms
MESOPORES
Źródło:
Journal of Chemical Physics; 3/21/2021, Vol. 154 Issue 11, p1-11, 11p
Czasopismo naukowe
Gas adsorption is a standard method for measuring pore-size distributions of nanoporous materials. This method is often based on assuming the pores as separate entities of a certain simple shape: slit-like, cylindrical, or spherical. Here, we study the effect of interconnections on gas adsorption in materials with spherical pores, such as three-dimensionally ordered mesoporous (3DOm) carbons. We consider interconnected systems with two, four, and six windows of various sizes. We propose a simple method based on the integration of solid–fluid interactions to take into account these windows. We used Monte Carlo simulations to model argon adsorption at the normal boiling point and obtained adsorption isotherms for the range of systems. For a system with two windows, we obtained a remarkably smooth transition from the spherical to cylindrical isotherm. Depending on the size and number of windows, our system resembles both spherical and cylindrical pores. These windows can drastically shift the point of capillary condensation and result in pore-size distributions that are very different from the ones based on a spherical pore model. Our results can be further used for modeling fluids in a system of interconnected pores using Monte Carlo and density functional theory methods. [ABSTRACT FROM AUTHOR]
Copyright of Journal of Chemical Physics is the property of American Institute of Physics and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)

Ta witryna wykorzystuje pliki cookies do przechowywania informacji na Twoim komputerze. Pliki cookies stosujemy w celu świadczenia usług na najwyższym poziomie, w tym w sposób dostosowany do indywidualnych potrzeb. Korzystanie z witryny bez zmiany ustawień dotyczących cookies oznacza, że będą one zamieszczane w Twoim komputerze. W każdym momencie możesz dokonać zmiany ustawień dotyczących cookies