Binary Diffusion Coefficients for Short Chain Alcohols in Supercritical Carbon Dioxide-Experimental and Predictive Correlations

Detalhes bibliográficos
Autor(a) principal: Santos, Cecília I. A. V.
Data de Publicação: 2023
Outros Autores: Ribeiro, Ana C. F., Shevtsova, Valentina
Tipo de documento: Artigo
Idioma: eng
Título da fonte: Repositórios Científicos de Acesso Aberto de Portugal (RCAAP)
Texto Completo: https://hdl.handle.net/10316/114849
https://doi.org/10.3390/molecules28020782
Resumo: Experimental binary diffusion coefficients for short-chain alcohols in supercritical carbon dioxide were measured using the Taylor dispersion technique in a temperature range of 306.15 K to 331.15 K and along the 10.5 MPa isobar. The obtained diffusion coefficients were in the order of 10-8 m2 s-1. The dependence of D on temperature and solvent density was examined together with the influence of molecular size. Some classic correlation models based on the hydrodynamic and free volume theory were used to estimate the diffusion coefficients in supercritical carbon dioxide. Predicted values were generally overestimated in comparison with experimental ones and correlations were shown to be valid only in high-density regions.
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spelling Binary Diffusion Coefficients for Short Chain Alcohols in Supercritical Carbon Dioxide-Experimental and Predictive Correlationssupercritical carbon dioxideFTIRTaylor dispersion techniquemethanolethanolpropanolbutanolWidom lineExperimental binary diffusion coefficients for short-chain alcohols in supercritical carbon dioxide were measured using the Taylor dispersion technique in a temperature range of 306.15 K to 331.15 K and along the 10.5 MPa isobar. The obtained diffusion coefficients were in the order of 10-8 m2 s-1. The dependence of D on temperature and solvent density was examined together with the influence of molecular size. Some classic correlation models based on the hydrodynamic and free volume theory were used to estimate the diffusion coefficients in supercritical carbon dioxide. Predicted values were generally overestimated in comparison with experimental ones and correlations were shown to be valid only in high-density regions.MDPI2023-01-12info:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articlehttps://hdl.handle.net/10316/114849https://hdl.handle.net/10316/114849https://doi.org/10.3390/molecules28020782eng1420-3049Santos, Cecília I. A. V.Ribeiro, Ana C. F.Shevtsova, Valentinainfo:eu-repo/semantics/openAccessreponame:Repositórios Científicos de Acesso Aberto de Portugal (RCAAP)instname:FCCN, serviços digitais da FCT – Fundação para a Ciência e a Tecnologiainstacron:RCAAP2024-04-15T11:20:25Zoai:estudogeral.uc.pt:10316/114849Portal AgregadorONGhttps://www.rcaap.pt/oai/openaireinfo@rcaap.ptopendoar:https://opendoar.ac.uk/repository/71602025-05-29T06:08:02.497738Repositórios Científicos de Acesso Aberto de Portugal (RCAAP) - FCCN, serviços digitais da FCT – Fundação para a Ciência e a Tecnologiafalse
dc.title.none.fl_str_mv Binary Diffusion Coefficients for Short Chain Alcohols in Supercritical Carbon Dioxide-Experimental and Predictive Correlations
title Binary Diffusion Coefficients for Short Chain Alcohols in Supercritical Carbon Dioxide-Experimental and Predictive Correlations
spellingShingle Binary Diffusion Coefficients for Short Chain Alcohols in Supercritical Carbon Dioxide-Experimental and Predictive Correlations
Santos, Cecília I. A. V.
supercritical carbon dioxide
FTIR
Taylor dispersion technique
methanol
ethanol
propanol
butanol
Widom line
title_short Binary Diffusion Coefficients for Short Chain Alcohols in Supercritical Carbon Dioxide-Experimental and Predictive Correlations
title_full Binary Diffusion Coefficients for Short Chain Alcohols in Supercritical Carbon Dioxide-Experimental and Predictive Correlations
title_fullStr Binary Diffusion Coefficients for Short Chain Alcohols in Supercritical Carbon Dioxide-Experimental and Predictive Correlations
title_full_unstemmed Binary Diffusion Coefficients for Short Chain Alcohols in Supercritical Carbon Dioxide-Experimental and Predictive Correlations
title_sort Binary Diffusion Coefficients for Short Chain Alcohols in Supercritical Carbon Dioxide-Experimental and Predictive Correlations
author Santos, Cecília I. A. V.
author_facet Santos, Cecília I. A. V.
Ribeiro, Ana C. F.
Shevtsova, Valentina
author_role author
author2 Ribeiro, Ana C. F.
Shevtsova, Valentina
author2_role author
author
dc.contributor.author.fl_str_mv Santos, Cecília I. A. V.
Ribeiro, Ana C. F.
Shevtsova, Valentina
dc.subject.por.fl_str_mv supercritical carbon dioxide
FTIR
Taylor dispersion technique
methanol
ethanol
propanol
butanol
Widom line
topic supercritical carbon dioxide
FTIR
Taylor dispersion technique
methanol
ethanol
propanol
butanol
Widom line
description Experimental binary diffusion coefficients for short-chain alcohols in supercritical carbon dioxide were measured using the Taylor dispersion technique in a temperature range of 306.15 K to 331.15 K and along the 10.5 MPa isobar. The obtained diffusion coefficients were in the order of 10-8 m2 s-1. The dependence of D on temperature and solvent density was examined together with the influence of molecular size. Some classic correlation models based on the hydrodynamic and free volume theory were used to estimate the diffusion coefficients in supercritical carbon dioxide. Predicted values were generally overestimated in comparison with experimental ones and correlations were shown to be valid only in high-density regions.
publishDate 2023
dc.date.none.fl_str_mv 2023-01-12
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 https://hdl.handle.net/10316/114849
https://hdl.handle.net/10316/114849
https://doi.org/10.3390/molecules28020782
url https://hdl.handle.net/10316/114849
https://doi.org/10.3390/molecules28020782
dc.language.iso.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv 1420-3049
dc.rights.driver.fl_str_mv info:eu-repo/semantics/openAccess
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instname:FCCN, serviços digitais da FCT – Fundação para a Ciência e a Tecnologia
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reponame_str Repositórios Científicos de Acesso Aberto de Portugal (RCAAP)
collection Repositórios Científicos de Acesso Aberto de Portugal (RCAAP)
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