Systematic Simulation of Disordered Cylindrical Nanoporous Materials

This paper describes a simple method, based on the Dual Site–Bond Model, for constructing disordered cylindrical porous substrata. Heterogeneity is accounted for by allowing the presence of variable cross-sectional areas along the length of the pore tubes forming the solid. The degree of heterogenei...

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Main Authors: Ubaldo Gil-Cruz, Salomón Cordero-Sánchez, Juan Villegas-Cortez, Rafael Villalobos-García
Format: Article
Language:English
Published: SAGE Publishing 2011-07-01
Series:Adsorption Science & Technology
Online Access:https://doi.org/10.1260/0263-6174.29.7.677
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author Ubaldo Gil-Cruz
Salomón Cordero-Sánchez
Juan Villegas-Cortez
Rafael Villalobos-García
author_facet Ubaldo Gil-Cruz
Salomón Cordero-Sánchez
Juan Villegas-Cortez
Rafael Villalobos-García
author_sort Ubaldo Gil-Cruz
collection DOAJ
description This paper describes a simple method, based on the Dual Site–Bond Model, for constructing disordered cylindrical porous substrata. Heterogeneity is accounted for by allowing the presence of variable cross-sectional areas along the length of the pore tubes forming the solid. The degree of heterogeneity is easily controlled with overlapping between the pore-size distributions of pore cavities and pore necks. Some simulated materials with different textural properties are presented. An analysis of the texture of the generated structures, together with their nitrogen adsorption characteristics, has been carried out and is discussed.
format Article
id doaj-art-ec11e51a12ae4b5bbfd132ef2c32354b
institution Kabale University
issn 0263-6174
2048-4038
language English
publishDate 2011-07-01
publisher SAGE Publishing
record_format Article
series Adsorption Science & Technology
spelling doaj-art-ec11e51a12ae4b5bbfd132ef2c32354b2025-01-03T00:11:47ZengSAGE PublishingAdsorption Science & Technology0263-61742048-40382011-07-012910.1260/0263-6174.29.7.677Systematic Simulation of Disordered Cylindrical Nanoporous MaterialsUbaldo Gil-Cruz0Salomón Cordero-Sánchez1Juan Villegas-Cortez2Rafael Villalobos-García3 Departamento de Química, Universidad Autónoma Metropolitana, Iztapalapa, P.O. Box 55-534, México D.F., México Departamento de Química, Universidad Autónoma Metropolitana, Iztapalapa, P.O. Box 55-534, México D.F., México Departamento de Electrónica, Universidad Autónoma Metropolitana - Azcapotzalco, Av. San Pablo 180 Col. Reynosa, 02200. México D.F., México División de Estudios de Posgrado (Tecnología Farmacéutica), Facultad de Estudios Superiores Cuautitlán, Universidad Nacional Autónoma de México, Av. Primero de Mayo S/N, Cuautitlán Izcalli 54740, Estado de México, MéxicoThis paper describes a simple method, based on the Dual Site–Bond Model, for constructing disordered cylindrical porous substrata. Heterogeneity is accounted for by allowing the presence of variable cross-sectional areas along the length of the pore tubes forming the solid. The degree of heterogeneity is easily controlled with overlapping between the pore-size distributions of pore cavities and pore necks. Some simulated materials with different textural properties are presented. An analysis of the texture of the generated structures, together with their nitrogen adsorption characteristics, has been carried out and is discussed.https://doi.org/10.1260/0263-6174.29.7.677
spellingShingle Ubaldo Gil-Cruz
Salomón Cordero-Sánchez
Juan Villegas-Cortez
Rafael Villalobos-García
Systematic Simulation of Disordered Cylindrical Nanoporous Materials
Adsorption Science & Technology
title Systematic Simulation of Disordered Cylindrical Nanoporous Materials
title_full Systematic Simulation of Disordered Cylindrical Nanoporous Materials
title_fullStr Systematic Simulation of Disordered Cylindrical Nanoporous Materials
title_full_unstemmed Systematic Simulation of Disordered Cylindrical Nanoporous Materials
title_short Systematic Simulation of Disordered Cylindrical Nanoporous Materials
title_sort systematic simulation of disordered cylindrical nanoporous materials
url https://doi.org/10.1260/0263-6174.29.7.677
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AT rafaelvillalobosgarcia systematicsimulationofdisorderedcylindricalnanoporousmaterials