Description and modelling of thermophysical properties and excess of eutetic mixtures
Autor(a) principal: | |
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Data de Publicação: | 2018 |
Tipo de documento: | Dissertação |
Idioma: | eng |
Título da fonte: | Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) |
Texto Completo: | http://hdl.handle.net/10773/25582 |
Resumo: | Deep eutectic solvents (DES), a new class of solvents, have attracted the researcher’s attention in the last years due to their unique and “green” properties, such as their easy formulation and environmental impact, projecting them as alternative solvents for a large number of applications, like catalysis, organic synthesis, dissolution and extraction processes, electrochemistry, material chemistry and desulfurization of fuels. DES are formed by an eutectic mixture of a hydrogen bond donor (HBD) and a hydrogen bond acceptor (HBA). Owing to their promising applications, their physicochemical characterization, aiming at their use on industrial processes, stands highly relevant. This work focus on the formulation of eutectic mixtures, composed of [Ch]Cl + [EG], [Ch]Cl + [Gly] e [Ch]Cl + Ureia, and their thermophysical characterization, namely viscosity, density and boiling temperatures, at a wide range of temperatures (283 to 363 K) and pressures (0.05 to 100 MPa). The experimental data was further modeled using the soft-SAFT equation of state (EoS); an advance EoS able to explicitly account for the association between the DES constituents and shown to be able to describe the nonideality of the liquid phase. The soft-SAFT development allowed to propose new association schemes and molecular parameters for urea. |
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Description and modelling of thermophysical properties and excess of eutetic mixturesDeep Eutectic SolventsViscosityDensityVapor-Liquid EquilibriumEquation of Statesoft-SAFTHigh PressureDeep eutectic solvents (DES), a new class of solvents, have attracted the researcher’s attention in the last years due to their unique and “green” properties, such as their easy formulation and environmental impact, projecting them as alternative solvents for a large number of applications, like catalysis, organic synthesis, dissolution and extraction processes, electrochemistry, material chemistry and desulfurization of fuels. DES are formed by an eutectic mixture of a hydrogen bond donor (HBD) and a hydrogen bond acceptor (HBA). Owing to their promising applications, their physicochemical characterization, aiming at their use on industrial processes, stands highly relevant. This work focus on the formulation of eutectic mixtures, composed of [Ch]Cl + [EG], [Ch]Cl + [Gly] e [Ch]Cl + Ureia, and their thermophysical characterization, namely viscosity, density and boiling temperatures, at a wide range of temperatures (283 to 363 K) and pressures (0.05 to 100 MPa). The experimental data was further modeled using the soft-SAFT equation of state (EoS); an advance EoS able to explicitly account for the association between the DES constituents and shown to be able to describe the nonideality of the liquid phase. The soft-SAFT development allowed to propose new association schemes and molecular parameters for urea.Os solventes eutécticos profundos (DES), uma nova categoria de solventes, tem recentemente atraído a atenção dos investigados devido às suas propriedades. A sua preparação fácil e baixo impacto ambiental, têm projetado estes solventes alternativos para um grande número de aplicações, nomeadamente na eletroquímica, na catálise, na síntese orgânica, em processos de dissolução e extração e na dessulfurização de combustíveis. Os DES formam-se de uma mistura eutética de um dador de ponte de hidrogénio (HBD) e um recetor de pontes de hidrogénio (HBA). Devido ao seu potêncial e às enúmeras aplicações propostas, a sua caracterização físico-química torna-se extremamente relevante quando se imagina a sua introdução em processos industriais. Este trabalho é focado na formulação das misturas eutécticas compostas por [Ch]Cl + [EG], [Ch]Cl + [Gly] e [Ch]Cl + Ureia, e na sua caraterização termofísica, nomeadamente viscosidade, densidade e pontos de ebulição numa gama de temperatura entre 283.15 K e 363.15 K e a pressões entre 0.1 e 100MPa. Os dados experimentais foram posteriormente modelados usando a equação de estado (EoS) soft-SAFT; uma EoS capaz de ter em consideração a associação existente entre os componentes do DES e que consegue descrever a sua não idealidade em fase liquida. O desenvolvimento da soft-SAFT permitiu propor um novo esquema associativo e novos parâmetros moléculares para a ureia.2019-11-07T00:00:00Z2018-10-30T00:00:00Z2018-10-30info:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/masterThesisapplication/pdfhttp://hdl.handle.net/10773/25582TID:202235076engCosta, João Miguel Lopesinfo: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:RCAAP2024-02-22T11:49:38Zoai:ria.ua.pt:10773/25582Portal AgregadorONGhttps://www.rcaap.pt/oai/openaireopendoar:71602024-03-20T02:58:47.830570Repositório 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 |
Description and modelling of thermophysical properties and excess of eutetic mixtures |
title |
Description and modelling of thermophysical properties and excess of eutetic mixtures |
spellingShingle |
Description and modelling of thermophysical properties and excess of eutetic mixtures Costa, João Miguel Lopes Deep Eutectic Solvents Viscosity Density Vapor-Liquid Equilibrium Equation of State soft-SAFT High Pressure |
title_short |
Description and modelling of thermophysical properties and excess of eutetic mixtures |
title_full |
Description and modelling of thermophysical properties and excess of eutetic mixtures |
title_fullStr |
Description and modelling of thermophysical properties and excess of eutetic mixtures |
title_full_unstemmed |
Description and modelling of thermophysical properties and excess of eutetic mixtures |
title_sort |
Description and modelling of thermophysical properties and excess of eutetic mixtures |
author |
Costa, João Miguel Lopes |
author_facet |
Costa, João Miguel Lopes |
author_role |
author |
dc.contributor.author.fl_str_mv |
Costa, João Miguel Lopes |
dc.subject.por.fl_str_mv |
Deep Eutectic Solvents Viscosity Density Vapor-Liquid Equilibrium Equation of State soft-SAFT High Pressure |
topic |
Deep Eutectic Solvents Viscosity Density Vapor-Liquid Equilibrium Equation of State soft-SAFT High Pressure |
description |
Deep eutectic solvents (DES), a new class of solvents, have attracted the researcher’s attention in the last years due to their unique and “green” properties, such as their easy formulation and environmental impact, projecting them as alternative solvents for a large number of applications, like catalysis, organic synthesis, dissolution and extraction processes, electrochemistry, material chemistry and desulfurization of fuels. DES are formed by an eutectic mixture of a hydrogen bond donor (HBD) and a hydrogen bond acceptor (HBA). Owing to their promising applications, their physicochemical characterization, aiming at their use on industrial processes, stands highly relevant. This work focus on the formulation of eutectic mixtures, composed of [Ch]Cl + [EG], [Ch]Cl + [Gly] e [Ch]Cl + Ureia, and their thermophysical characterization, namely viscosity, density and boiling temperatures, at a wide range of temperatures (283 to 363 K) and pressures (0.05 to 100 MPa). The experimental data was further modeled using the soft-SAFT equation of state (EoS); an advance EoS able to explicitly account for the association between the DES constituents and shown to be able to describe the nonideality of the liquid phase. The soft-SAFT development allowed to propose new association schemes and molecular parameters for urea. |
publishDate |
2018 |
dc.date.none.fl_str_mv |
2018-10-30T00:00:00Z 2018-10-30 2019-11-07T00:00:00Z |
dc.type.status.fl_str_mv |
info:eu-repo/semantics/publishedVersion |
dc.type.driver.fl_str_mv |
info:eu-repo/semantics/masterThesis |
format |
masterThesis |
status_str |
publishedVersion |
dc.identifier.uri.fl_str_mv |
http://hdl.handle.net/10773/25582 TID:202235076 |
url |
http://hdl.handle.net/10773/25582 |
identifier_str_mv |
TID:202235076 |
dc.language.iso.fl_str_mv |
eng |
language |
eng |
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.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 |
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_version_ |
1799137642468605952 |