Geraniol and hydrophobic geraniol: thymol eutectic mixtures: Structure and thermophysical characterization

The properties of essential oils as food preservatives are well-established. These components have also been used as neoteric solvents to prepare eutectic mixtures. Their high capacity to dissolve poorly water-soluble substances makes them particularly interesting in the biotechnology industry. To i...

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Autores: Haftbaradaran Esfahani, Mohammadreza, Bergua, Fernando, Delso, Ignacio, Lafuente, Carlos, Artal, Manuela
Tipo de recurso: artículo
Estado:Versión publicada
Fecha de publicación:2024
País:España
Institución:Universidad de Zaragoza
Repositorio:Zaguán. Repositorio Digital de la Universidad de Zaragoza
OAI Identifier:oai:zaguan.unizar.es:148046
Acceso en línea:http://zaguan.unizar.es/record/148046
Access Level:acceso abierto
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spelling Geraniol and hydrophobic geraniol: thymol eutectic mixtures: Structure and thermophysical characterizationHaftbaradaran Esfahani, MohammadrezaBergua, FernandoDelso, IgnacioLafuente, CarlosArtal, ManuelaThe properties of essential oils as food preservatives are well-established. These components have also been used as neoteric solvents to prepare eutectic mixtures. Their high capacity to dissolve poorly water-soluble substances makes them particularly interesting in the biotechnology industry. To implement them, it is essential to determine the structural and chemical-physical properties, as well as develop models to predict the behaviour under any operational condition. Herein, pure geraniol and geraniol/thymol mixtures are studied. Nuclear magnetic resonance experiments and molecular dynamics are used to evaluate the fluid structure. In addition, seven thermophysical properties are measured and correlated. The experimental densities, surface tensions, and viscosities were lower than 952 kg m–3, 33 mN m–1, and 36 mPa s, respectively. These values were adequate for the industrial application of these mixtures. PC-SAFT equation of state well predicted the density with an average deviation of 0.13 %, and the isobaric molar heat capacity with a deviation of 6.9 %. Greater compaction was observed at higher thymol molar ratios and dispersive interactions were predominant. Depending on the composition, geraniol was both an acceptor and donor of hydrogen bonds; conversely, thymol acted as a donor. The article provides the necessary knowledge to be able to use these mixtures and design new ones, as ecological solvents in different applications including those in the agri-food sector.2024info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionapplication/pdfhttp://zaguan.unizar.es/record/148046reponame:Zaguán. Repositorio Digital de la Universidad de Zaragozainstname:Universidad de ZaragozaInglésinfo:eu-repo/grantAgreement/ES/DGA/E31-23Rinfo:eu-repo/semantics/openAccessoai:zaguan.unizar.es:1480462026-05-29T13:59:51Z
dc.title.none.fl_str_mv Geraniol and hydrophobic geraniol: thymol eutectic mixtures: Structure and thermophysical characterization
title Geraniol and hydrophobic geraniol: thymol eutectic mixtures: Structure and thermophysical characterization
spellingShingle Geraniol and hydrophobic geraniol: thymol eutectic mixtures: Structure and thermophysical characterization
Haftbaradaran Esfahani, Mohammadreza
title_short Geraniol and hydrophobic geraniol: thymol eutectic mixtures: Structure and thermophysical characterization
title_full Geraniol and hydrophobic geraniol: thymol eutectic mixtures: Structure and thermophysical characterization
title_fullStr Geraniol and hydrophobic geraniol: thymol eutectic mixtures: Structure and thermophysical characterization
title_full_unstemmed Geraniol and hydrophobic geraniol: thymol eutectic mixtures: Structure and thermophysical characterization
title_sort Geraniol and hydrophobic geraniol: thymol eutectic mixtures: Structure and thermophysical characterization
dc.creator.none.fl_str_mv Haftbaradaran Esfahani, Mohammadreza
Bergua, Fernando
Delso, Ignacio
Lafuente, Carlos
Artal, Manuela
author Haftbaradaran Esfahani, Mohammadreza
author_facet Haftbaradaran Esfahani, Mohammadreza
Bergua, Fernando
Delso, Ignacio
Lafuente, Carlos
Artal, Manuela
author_role author
author2 Bergua, Fernando
Delso, Ignacio
Lafuente, Carlos
Artal, Manuela
author2_role author
author
author
author
description The properties of essential oils as food preservatives are well-established. These components have also been used as neoteric solvents to prepare eutectic mixtures. Their high capacity to dissolve poorly water-soluble substances makes them particularly interesting in the biotechnology industry. To implement them, it is essential to determine the structural and chemical-physical properties, as well as develop models to predict the behaviour under any operational condition. Herein, pure geraniol and geraniol/thymol mixtures are studied. Nuclear magnetic resonance experiments and molecular dynamics are used to evaluate the fluid structure. In addition, seven thermophysical properties are measured and correlated. The experimental densities, surface tensions, and viscosities were lower than 952 kg m–3, 33 mN m–1, and 36 mPa s, respectively. These values were adequate for the industrial application of these mixtures. PC-SAFT equation of state well predicted the density with an average deviation of 0.13 %, and the isobaric molar heat capacity with a deviation of 6.9 %. Greater compaction was observed at higher thymol molar ratios and dispersive interactions were predominant. Depending on the composition, geraniol was both an acceptor and donor of hydrogen bonds; conversely, thymol acted as a donor. The article provides the necessary knowledge to be able to use these mixtures and design new ones, as ecological solvents in different applications including those in the agri-food sector.
publishDate 2024
dc.date.none.fl_str_mv 2024
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dc.identifier.none.fl_str_mv http://zaguan.unizar.es/record/148046
url http://zaguan.unizar.es/record/148046
dc.language.none.fl_str_mv Inglés
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instname:Universidad de Zaragoza
instname_str Universidad de Zaragoza
reponame_str Zaguán. Repositorio Digital de la Universidad de Zaragoza
collection Zaguán. Repositorio Digital de la Universidad de Zaragoza
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