The influence of the textural properties of activated carbons on acetaminophen adsorption at different temperatures
Autor(a) principal: | |
---|---|
Data de Publicação: | 2015 |
Outros Autores: | , , , , , , |
Tipo de documento: | Artigo |
Idioma: | eng |
Título da fonte: | Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) |
Texto Completo: | http://hdl.handle.net/10400.9/2851 |
Resumo: | The influence of temperature (20–40 °C) on the acetaminophen adsorption onto activated carbons with different textures was studied. Different temperature dependences, not explained by kinetic effects, were observed for carbons with different micropore size distribution patterns: adsorption capacity increased for pine gasification residues (Pi-fa) derived carbons and decreased for sisal based materials. No significant variation was seen for carbon CP. The species identified by 1H NMR spectroscopy on the back-extraction solution proved that during the adsorption process exist the conditions required to promote the formation of acetaminophen oligomers which have constrained access to the narrow microporosity. The rotation energy of the dihedral angle between monomers (estimated by electronic DFT methods) showed that conformations in the planar form are less stable than the non-planar conformation (energy barrier of 70 and 23 kJ mol-1), but have critical dimensions similar to the monomer and can access most of the micropore volume. The enthalpy change of the overall process showed that the energy gain of the system (endothermic) for Pi-fa samples (˜40 kJ mol-1) was enough to allow a change in the dimer, or even a larger oligomer, conformation to the planar form. This will permit adsorption in the narrow micropores, thus explaining the uptake increase with temperature. Non-continuous micropore size distributions centered at pore widths close to the critical dimensions of the planar form seem to be crucial for a positive evolution of the adsorption capacity with temperature. |
id |
RCAP_f23127a6e4888d3f7d31c656b0ae251e |
---|---|
oai_identifier_str |
oai:repositorio.lneg.pt:10400.9/2851 |
network_acronym_str |
RCAP |
network_name_str |
Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) |
repository_id_str |
7160 |
spelling |
The influence of the textural properties of activated carbons on acetaminophen adsorption at different temperaturesAcetaminophen adsorptionActivated carbonsTextural propertiesThe influence of temperature (20–40 °C) on the acetaminophen adsorption onto activated carbons with different textures was studied. Different temperature dependences, not explained by kinetic effects, were observed for carbons with different micropore size distribution patterns: adsorption capacity increased for pine gasification residues (Pi-fa) derived carbons and decreased for sisal based materials. No significant variation was seen for carbon CP. The species identified by 1H NMR spectroscopy on the back-extraction solution proved that during the adsorption process exist the conditions required to promote the formation of acetaminophen oligomers which have constrained access to the narrow microporosity. The rotation energy of the dihedral angle between monomers (estimated by electronic DFT methods) showed that conformations in the planar form are less stable than the non-planar conformation (energy barrier of 70 and 23 kJ mol-1), but have critical dimensions similar to the monomer and can access most of the micropore volume. The enthalpy change of the overall process showed that the energy gain of the system (endothermic) for Pi-fa samples (˜40 kJ mol-1) was enough to allow a change in the dimer, or even a larger oligomer, conformation to the planar form. This will permit adsorption in the narrow micropores, thus explaining the uptake increase with temperature. Non-continuous micropore size distributions centered at pore widths close to the critical dimensions of the planar form seem to be crucial for a positive evolution of the adsorption capacity with temperature.Royal Society of ChemistryRepositório do LNEGGalhetas, M.Andrade, Marta A.Mestre, A. S.Kangni-foli, EkoéBrito, Maria J. Villa dePinto, Moisés L.Lopes, HelenaCarvalho, A. P.2015-08-06T13:22:39Z2015-01-01T00:00:00Z2015-01-01T00:00:00Zinfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articleapplication/pdfhttp://hdl.handle.net/10400.9/2851engGalhetas, M.; Andrade, M.A.; Mestre, A.S.; Kangni-foli, E.; Brito, M.J.V. de; Pinto, M.L.; Lopes, H.; Carvalho, A.P. - The influence of the textural properties of activated carbons on acetaminophen adsorption at different temperatures. In: Physical Chemistry Chemical Physics, 2015, Vol. 17, p. 12340-123491463-9076info:eu-repo/semantics/openAccessreponame:Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)instname:Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informaçãoinstacron:RCAAP2022-09-06T12:28:05Zoai:repositorio.lneg.pt:10400.9/2851Portal AgregadorONGhttps://www.rcaap.pt/oai/openaireopendoar:71602024-03-19T15:35:53.659318Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) - Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informaçãofalse |
dc.title.none.fl_str_mv |
The influence of the textural properties of activated carbons on acetaminophen adsorption at different temperatures |
title |
The influence of the textural properties of activated carbons on acetaminophen adsorption at different temperatures |
spellingShingle |
The influence of the textural properties of activated carbons on acetaminophen adsorption at different temperatures Galhetas, M. Acetaminophen adsorption Activated carbons Textural properties |
title_short |
The influence of the textural properties of activated carbons on acetaminophen adsorption at different temperatures |
title_full |
The influence of the textural properties of activated carbons on acetaminophen adsorption at different temperatures |
title_fullStr |
The influence of the textural properties of activated carbons on acetaminophen adsorption at different temperatures |
title_full_unstemmed |
The influence of the textural properties of activated carbons on acetaminophen adsorption at different temperatures |
title_sort |
The influence of the textural properties of activated carbons on acetaminophen adsorption at different temperatures |
author |
Galhetas, M. |
author_facet |
Galhetas, M. Andrade, Marta A. Mestre, A. S. Kangni-foli, Ekoé Brito, Maria J. Villa de Pinto, Moisés L. Lopes, Helena Carvalho, A. P. |
author_role |
author |
author2 |
Andrade, Marta A. Mestre, A. S. Kangni-foli, Ekoé Brito, Maria J. Villa de Pinto, Moisés L. Lopes, Helena Carvalho, A. P. |
author2_role |
author author author author author author author |
dc.contributor.none.fl_str_mv |
Repositório do LNEG |
dc.contributor.author.fl_str_mv |
Galhetas, M. Andrade, Marta A. Mestre, A. S. Kangni-foli, Ekoé Brito, Maria J. Villa de Pinto, Moisés L. Lopes, Helena Carvalho, A. P. |
dc.subject.por.fl_str_mv |
Acetaminophen adsorption Activated carbons Textural properties |
topic |
Acetaminophen adsorption Activated carbons Textural properties |
description |
The influence of temperature (20–40 °C) on the acetaminophen adsorption onto activated carbons with different textures was studied. Different temperature dependences, not explained by kinetic effects, were observed for carbons with different micropore size distribution patterns: adsorption capacity increased for pine gasification residues (Pi-fa) derived carbons and decreased for sisal based materials. No significant variation was seen for carbon CP. The species identified by 1H NMR spectroscopy on the back-extraction solution proved that during the adsorption process exist the conditions required to promote the formation of acetaminophen oligomers which have constrained access to the narrow microporosity. The rotation energy of the dihedral angle between monomers (estimated by electronic DFT methods) showed that conformations in the planar form are less stable than the non-planar conformation (energy barrier of 70 and 23 kJ mol-1), but have critical dimensions similar to the monomer and can access most of the micropore volume. The enthalpy change of the overall process showed that the energy gain of the system (endothermic) for Pi-fa samples (˜40 kJ mol-1) was enough to allow a change in the dimer, or even a larger oligomer, conformation to the planar form. This will permit adsorption in the narrow micropores, thus explaining the uptake increase with temperature. Non-continuous micropore size distributions centered at pore widths close to the critical dimensions of the planar form seem to be crucial for a positive evolution of the adsorption capacity with temperature. |
publishDate |
2015 |
dc.date.none.fl_str_mv |
2015-08-06T13:22:39Z 2015-01-01T00:00:00Z 2015-01-01T00:00:00Z |
dc.type.status.fl_str_mv |
info:eu-repo/semantics/publishedVersion |
dc.type.driver.fl_str_mv |
info:eu-repo/semantics/article |
format |
article |
status_str |
publishedVersion |
dc.identifier.uri.fl_str_mv |
http://hdl.handle.net/10400.9/2851 |
url |
http://hdl.handle.net/10400.9/2851 |
dc.language.iso.fl_str_mv |
eng |
language |
eng |
dc.relation.none.fl_str_mv |
Galhetas, M.; Andrade, M.A.; Mestre, A.S.; Kangni-foli, E.; Brito, M.J.V. de; Pinto, M.L.; Lopes, H.; Carvalho, A.P. - The influence of the textural properties of activated carbons on acetaminophen adsorption at different temperatures. In: Physical Chemistry Chemical Physics, 2015, Vol. 17, p. 12340-12349 1463-9076 |
dc.rights.driver.fl_str_mv |
info:eu-repo/semantics/openAccess |
eu_rights_str_mv |
openAccess |
dc.format.none.fl_str_mv |
application/pdf |
dc.publisher.none.fl_str_mv |
Royal Society of Chemistry |
publisher.none.fl_str_mv |
Royal Society of Chemistry |
dc.source.none.fl_str_mv |
reponame:Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) instname:Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação instacron:RCAAP |
instname_str |
Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação |
instacron_str |
RCAAP |
institution |
RCAAP |
reponame_str |
Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) |
collection |
Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) |
repository.name.fl_str_mv |
Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) - Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação |
repository.mail.fl_str_mv |
|
_version_ |
1799130225143971840 |