y Optimal Faujasite structures for post combustion CO2 capture and separation in different swing adsorption processes

Grand Canonical Monte-Carlo (GCMC) simulations are used in this work, to assess optimum faujasite structures, the well-known family of zeolites, in CO2 capture processes. Pressure Swing Adsorption (PSA) and Vacuum Swing Adsorption (VSA) procedures have been considered to evaluate purity, working cap...

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Detalles Bibliográficos
Autores: Prats Garcia, Hèctor, Bahamón García, Daniel, Alonso, Gerard, Giménez i Font, Xavier, Gamallo Belmonte, Pablo, Sayós Ortega, Ramón
Tipo de recurso: artículo
Estado:Versión aceptada para publicación
Fecha de publicación:2017
País:España
Institución:Varias* (Consorci de Biblioteques Universitáries de Catalunya, Centre de Serveis Científics i Acadèmics de Catalunya)
Repositorio:Recercat. Dipósit de la Recerca de Catalunya
OAI Identifier:oai:recercat.cat:2445/163028
Acceso en línea:https://hdl.handle.net/2445/163028
Access Level:acceso abierto
Palabra clave:Adsorció
Zeolites
Captura i emmagatzematge de diòxid de carboni
Mètode de Montecarlo
Adsorption
Carbon sequestration
Monte Carlo method
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spelling y Optimal Faujasite structures for post combustion CO2 capture and separation in different swing adsorption processesPrats Garcia, HèctorBahamón García, DanielAlonso, GerardGiménez i Font, XavierGamallo Belmonte, PabloSayós Ortega, RamónAdsorcióZeolitesCaptura i emmagatzematge de diòxid de carboniMètode de MontecarloAdsorptionZeolitesCarbon sequestrationMonte Carlo methodGrand Canonical Monte-Carlo (GCMC) simulations are used in this work, to assess optimum faujasite structures, the well-known family of zeolites, in CO2 capture processes. Pressure Swing Adsorption (PSA) and Vacuum Swing Adsorption (VSA) procedures have been considered to evaluate purity, working capacity and breakthrough time. To this purpose, ten faujasite structures with different Al content were selected, and the best conditions for CO2 capture maximization have been calculated for each structure. Further results show that zeolites having intermediate Al content are the most effective for VSA processes, whereas low Al content faujasites perform better at PSA conditions. Remarkably, present work best results clearly improve Faujasite 13X VSA-PSA performances, so far considered the industrial reference in absence of water. Moreover, combined VPSA processes, in terms of working capacity and adiabatic work required for compression/expansion, have also been studied, showing that VPSA systems are more efficient than pure PSA/VSA, for structures with intermediate Al content. Finally, an improved methodology has been derived, where GCMC mixture isotherms and energetic cost calculations are combined, and a more accurate way of estimating working capacities and breakthrough times is proposed. This new approach allows more realistic evaluations of adsorbents' performances, than those found in the literature based on pure adsorption data.Elsevier2020202020172020info:eu-repo/semantics/articleinfo:eu-repo/semantics/acceptedVersion12 p.application/pdfhttps://hdl.handle.net/2445/163028Articles publicats en revistes (Ciència dels Materials i Química Física)reponame:Recercat. Dipósit de la Recerca de Catalunyainstname:Varias* (Consorci de Biblioteques Universitáries de Catalunya, Centre de Serveis Científics i Acadèmics de Catalunya)InglésVersió postprint del document publicat a: https://doi.org/10.1016/j.jcou.2017.03.007Journal of CO2 Utilization, 2017, vol. 19, p. 100-111https://doi.org/10.1016/j.jcou.2017.03.007cc-by-nc-nd (c) Elsevier, 2017http://creativecommons.org/licenses/by-nc-nd/3.0/esinfo:eu-repo/semantics/openAccessoai:recercat.cat:2445/1630282026-05-29T05:05:01Z
dc.title.none.fl_str_mv y Optimal Faujasite structures for post combustion CO2 capture and separation in different swing adsorption processes
title y Optimal Faujasite structures for post combustion CO2 capture and separation in different swing adsorption processes
spellingShingle y Optimal Faujasite structures for post combustion CO2 capture and separation in different swing adsorption processes
Prats Garcia, Hèctor
Adsorció
Zeolites
Captura i emmagatzematge de diòxid de carboni
Mètode de Montecarlo
Adsorption
Zeolites
Carbon sequestration
Monte Carlo method
title_short y Optimal Faujasite structures for post combustion CO2 capture and separation in different swing adsorption processes
title_full y Optimal Faujasite structures for post combustion CO2 capture and separation in different swing adsorption processes
title_fullStr y Optimal Faujasite structures for post combustion CO2 capture and separation in different swing adsorption processes
title_full_unstemmed y Optimal Faujasite structures for post combustion CO2 capture and separation in different swing adsorption processes
title_sort y Optimal Faujasite structures for post combustion CO2 capture and separation in different swing adsorption processes
dc.creator.none.fl_str_mv Prats Garcia, Hèctor
Bahamón García, Daniel
Alonso, Gerard
Giménez i Font, Xavier
Gamallo Belmonte, Pablo
Sayós Ortega, Ramón
author Prats Garcia, Hèctor
author_facet Prats Garcia, Hèctor
Bahamón García, Daniel
Alonso, Gerard
Giménez i Font, Xavier
Gamallo Belmonte, Pablo
Sayós Ortega, Ramón
author_role author
author2 Bahamón García, Daniel
Alonso, Gerard
Giménez i Font, Xavier
Gamallo Belmonte, Pablo
Sayós Ortega, Ramón
author2_role author
author
author
author
author
dc.subject.none.fl_str_mv Adsorció
Zeolites
Captura i emmagatzematge de diòxid de carboni
Mètode de Montecarlo
Adsorption
Zeolites
Carbon sequestration
Monte Carlo method
topic Adsorció
Zeolites
Captura i emmagatzematge de diòxid de carboni
Mètode de Montecarlo
Adsorption
Zeolites
Carbon sequestration
Monte Carlo method
description Grand Canonical Monte-Carlo (GCMC) simulations are used in this work, to assess optimum faujasite structures, the well-known family of zeolites, in CO2 capture processes. Pressure Swing Adsorption (PSA) and Vacuum Swing Adsorption (VSA) procedures have been considered to evaluate purity, working capacity and breakthrough time. To this purpose, ten faujasite structures with different Al content were selected, and the best conditions for CO2 capture maximization have been calculated for each structure. Further results show that zeolites having intermediate Al content are the most effective for VSA processes, whereas low Al content faujasites perform better at PSA conditions. Remarkably, present work best results clearly improve Faujasite 13X VSA-PSA performances, so far considered the industrial reference in absence of water. Moreover, combined VPSA processes, in terms of working capacity and adiabatic work required for compression/expansion, have also been studied, showing that VPSA systems are more efficient than pure PSA/VSA, for structures with intermediate Al content. Finally, an improved methodology has been derived, where GCMC mixture isotherms and energetic cost calculations are combined, and a more accurate way of estimating working capacities and breakthrough times is proposed. This new approach allows more realistic evaluations of adsorbents' performances, than those found in the literature based on pure adsorption data.
publishDate 2017
dc.date.none.fl_str_mv 2017
2020
2020
2020
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/acceptedVersion
format article
status_str acceptedVersion
dc.identifier.none.fl_str_mv https://hdl.handle.net/2445/163028
url https://hdl.handle.net/2445/163028
dc.language.none.fl_str_mv Inglés
language_invalid_str_mv Inglés
dc.relation.none.fl_str_mv Versió postprint del document publicat a: https://doi.org/10.1016/j.jcou.2017.03.007
Journal of CO2 Utilization, 2017, vol. 19, p. 100-111
https://doi.org/10.1016/j.jcou.2017.03.007
dc.rights.none.fl_str_mv cc-by-nc-nd (c) Elsevier, 2017
http://creativecommons.org/licenses/by-nc-nd/3.0/es
info:eu-repo/semantics/openAccess
rights_invalid_str_mv cc-by-nc-nd (c) Elsevier, 2017
http://creativecommons.org/licenses/by-nc-nd/3.0/es
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv 12 p.
application/pdf
dc.publisher.none.fl_str_mv Elsevier
publisher.none.fl_str_mv Elsevier
dc.source.none.fl_str_mv Articles publicats en revistes (Ciència dels Materials i Química Física)
reponame:Recercat. Dipósit de la Recerca de Catalunya
instname:Varias* (Consorci de Biblioteques Universitáries de Catalunya, Centre de Serveis Científics i Acadèmics de Catalunya)
instname_str Varias* (Consorci de Biblioteques Universitáries de Catalunya, Centre de Serveis Científics i Acadèmics de Catalunya)
reponame_str Recercat. Dipósit de la Recerca de Catalunya
collection Recercat. Dipósit de la Recerca de Catalunya
repository.name.fl_str_mv
repository.mail.fl_str_mv
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score 15,811543

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