THEORETICAL STUDY OF CO2:N2 ADSORPTION IN FAUJASITE IMPREGNATED WITH MONOETHANOLAMINE

Detalhes bibliográficos
Autor(a) principal: Lima,A. E. O.
Data de Publicação: 2015
Outros Autores: Gomes,V. A. M., Lucena,S. M. P.
Tipo de documento: Artigo
Idioma: eng
Título da fonte: Brazilian Journal of Chemical Engineering
Texto Completo: http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0104-66322015000300005
Resumo: Abstract Many efforts have been made to develop amine-based solid adsorbents for capture of CO2 by adsorption. Compared with the traditional process of absorption in aqueous solutions of amines, the adsorbents with amine immobilized in solids generally result in processes with lower capital and energy costs. The literature contains some experimental studies of CO2 adsorption in impregnated materials; however, few studies are devoted to the theoretical interpretation of this system in terms of CO2 capture for post-combustion (N2 mixture with a low partial pressure of CO2). Therefore, this study investigates the adsorption of a CO2:N2 mixture on zeolite NaX impregnated with monoethanolamine (MEA), using molecular simulation. A model of NaX impregnated with MEA was proposed and the adsorption of a 15:85 (CO2:N2) mixture was investigated based on the Monte Carlo method. The simulation of the MEA impregnated zeolite at 25 ˚C predicted higher CO2 selectivity and significant improvement in the heat of adsorption. Unfortunately, the adsorption heat improvement did not translate into corresponding increases in the amount of adsorbed CO2. Moreover, MEA concentrations higher than 12 wt% hindered the adsorption of CO2 molecules. An explanation for the results in terms of occupied volumes and interaction energies is presented.
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spelling THEORETICAL STUDY OF CO2:N2 ADSORPTION IN FAUJASITE IMPREGNATED WITH MONOETHANOLAMINEMolecular simulationCO2 adsorptionFaujasiteMonoethanolamineAbstract Many efforts have been made to develop amine-based solid adsorbents for capture of CO2 by adsorption. Compared with the traditional process of absorption in aqueous solutions of amines, the adsorbents with amine immobilized in solids generally result in processes with lower capital and energy costs. The literature contains some experimental studies of CO2 adsorption in impregnated materials; however, few studies are devoted to the theoretical interpretation of this system in terms of CO2 capture for post-combustion (N2 mixture with a low partial pressure of CO2). Therefore, this study investigates the adsorption of a CO2:N2 mixture on zeolite NaX impregnated with monoethanolamine (MEA), using molecular simulation. A model of NaX impregnated with MEA was proposed and the adsorption of a 15:85 (CO2:N2) mixture was investigated based on the Monte Carlo method. The simulation of the MEA impregnated zeolite at 25 ˚C predicted higher CO2 selectivity and significant improvement in the heat of adsorption. Unfortunately, the adsorption heat improvement did not translate into corresponding increases in the amount of adsorbed CO2. Moreover, MEA concentrations higher than 12 wt% hindered the adsorption of CO2 molecules. An explanation for the results in terms of occupied volumes and interaction energies is presented.Brazilian Society of Chemical Engineering2015-09-01info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersiontext/htmlhttp://old.scielo.br/scielo.php?script=sci_arttext&pid=S0104-66322015000300005Brazilian Journal of Chemical Engineering v.32 n.3 2015reponame:Brazilian Journal of Chemical Engineeringinstname:Associação Brasileira de Engenharia Química (ABEQ)instacron:ABEQ10.1590/0104-6632.20150323s00003450info:eu-repo/semantics/openAccessLima,A. E. O.Gomes,V. A. M.Lucena,S. M. P.eng2017-01-03T00:00:00Zoai:scielo:S0104-66322015000300005Revistahttps://www.scielo.br/j/bjce/https://old.scielo.br/oai/scielo-oai.phprgiudici@usp.br||rgiudici@usp.br1678-43830104-6632opendoar:2017-01-03T00:00Brazilian Journal of Chemical Engineering - Associação Brasileira de Engenharia Química (ABEQ)false
dc.title.none.fl_str_mv THEORETICAL STUDY OF CO2:N2 ADSORPTION IN FAUJASITE IMPREGNATED WITH MONOETHANOLAMINE
title THEORETICAL STUDY OF CO2:N2 ADSORPTION IN FAUJASITE IMPREGNATED WITH MONOETHANOLAMINE
spellingShingle THEORETICAL STUDY OF CO2:N2 ADSORPTION IN FAUJASITE IMPREGNATED WITH MONOETHANOLAMINE
Lima,A. E. O.
Molecular simulation
CO2 adsorption
Faujasite
Monoethanolamine
title_short THEORETICAL STUDY OF CO2:N2 ADSORPTION IN FAUJASITE IMPREGNATED WITH MONOETHANOLAMINE
title_full THEORETICAL STUDY OF CO2:N2 ADSORPTION IN FAUJASITE IMPREGNATED WITH MONOETHANOLAMINE
title_fullStr THEORETICAL STUDY OF CO2:N2 ADSORPTION IN FAUJASITE IMPREGNATED WITH MONOETHANOLAMINE
title_full_unstemmed THEORETICAL STUDY OF CO2:N2 ADSORPTION IN FAUJASITE IMPREGNATED WITH MONOETHANOLAMINE
title_sort THEORETICAL STUDY OF CO2:N2 ADSORPTION IN FAUJASITE IMPREGNATED WITH MONOETHANOLAMINE
author Lima,A. E. O.
author_facet Lima,A. E. O.
Gomes,V. A. M.
Lucena,S. M. P.
author_role author
author2 Gomes,V. A. M.
Lucena,S. M. P.
author2_role author
author
dc.contributor.author.fl_str_mv Lima,A. E. O.
Gomes,V. A. M.
Lucena,S. M. P.
dc.subject.por.fl_str_mv Molecular simulation
CO2 adsorption
Faujasite
Monoethanolamine
topic Molecular simulation
CO2 adsorption
Faujasite
Monoethanolamine
description Abstract Many efforts have been made to develop amine-based solid adsorbents for capture of CO2 by adsorption. Compared with the traditional process of absorption in aqueous solutions of amines, the adsorbents with amine immobilized in solids generally result in processes with lower capital and energy costs. The literature contains some experimental studies of CO2 adsorption in impregnated materials; however, few studies are devoted to the theoretical interpretation of this system in terms of CO2 capture for post-combustion (N2 mixture with a low partial pressure of CO2). Therefore, this study investigates the adsorption of a CO2:N2 mixture on zeolite NaX impregnated with monoethanolamine (MEA), using molecular simulation. A model of NaX impregnated with MEA was proposed and the adsorption of a 15:85 (CO2:N2) mixture was investigated based on the Monte Carlo method. The simulation of the MEA impregnated zeolite at 25 ˚C predicted higher CO2 selectivity and significant improvement in the heat of adsorption. Unfortunately, the adsorption heat improvement did not translate into corresponding increases in the amount of adsorbed CO2. Moreover, MEA concentrations higher than 12 wt% hindered the adsorption of CO2 molecules. An explanation for the results in terms of occupied volumes and interaction energies is presented.
publishDate 2015
dc.date.none.fl_str_mv 2015-09-01
dc.type.driver.fl_str_mv info:eu-repo/semantics/article
dc.type.status.fl_str_mv info:eu-repo/semantics/publishedVersion
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status_str publishedVersion
dc.identifier.uri.fl_str_mv http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0104-66322015000300005
url http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0104-66322015000300005
dc.language.iso.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv 10.1590/0104-6632.20150323s00003450
dc.rights.driver.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv text/html
dc.publisher.none.fl_str_mv Brazilian Society of Chemical Engineering
publisher.none.fl_str_mv Brazilian Society of Chemical Engineering
dc.source.none.fl_str_mv Brazilian Journal of Chemical Engineering v.32 n.3 2015
reponame:Brazilian Journal of Chemical Engineering
instname:Associação Brasileira de Engenharia Química (ABEQ)
instacron:ABEQ
instname_str Associação Brasileira de Engenharia Química (ABEQ)
instacron_str ABEQ
institution ABEQ
reponame_str Brazilian Journal of Chemical Engineering
collection Brazilian Journal of Chemical Engineering
repository.name.fl_str_mv Brazilian Journal of Chemical Engineering - Associação Brasileira de Engenharia Química (ABEQ)
repository.mail.fl_str_mv rgiudici@usp.br||rgiudici@usp.br
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