A semiempirical model for adsorption of binary mixtures

Authors
Matoz Fernandez, Daniel Alejandro; Ramirez Pastor, Antonio Jose; Pasinetti, Pedro Marcelo; Davila, Mara Veronica
Publication Year
2014
Language
English
Format
article
Status
Published version
Description
The statistical thermodynamics of polyatomic species mixtures adsorbed on two-dimensional lattices was developed based on generalization of the semiempirical approximation for the adsorption of single components [Romá, F. et al., Langmuir, 2006, 22, 3192–3197]. In this scheme, the partial adsorption isotherms are obtained using a correction function C with combining tilde], which relates to the conditional probability of finding the ith empty site to a lattice with i − 1 already vacant sites. This approximation allows us to write a new theoretical model using a combination of the correction functions corresponding to exact 1-D calculations and the Guggenheim–DiMarzio approach. Finally, comparisons with MC simulations and experimental data of methane–ethane and ethane–propylene mixtures on activated carbon are used to test the accuracy and reliability of the proposed model. The obtained results indicate that the new thermodynamic description is significantly better than the existing theoretical models developed to treat adsorption of interacting binary mixtures of polyatomics.
Fil: Matoz Fernandez, Daniel Alejandro. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico San Luis. Instituto de Física Aplicada; Argentina
Fil: Ramirez Pastor, Antonio Jose. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico San Luis. Instituto de Física Aplicada; Argentina
Fil: Pasinetti, Pedro Marcelo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico San Luis. Instituto de Física Aplicada; Argentina
Fil: Davila, Mara Veronica. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico San Luis. Instituto de Física Aplicada; Argentina
Subject
Adsorption
Binary mixtures
Monte carlo simulations
Física de los Materiales Condensados
Ciencias Físicas
CIENCIAS NATURALES Y EXACTAS
Access level
Restricted access
License
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
Repository
CONICET Digital (CONICET)
Institution
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identifier
oai:ri.conicet.gov.ar:11336/5685