000148046 001__ 148046
000148046 005__ 20250110163829.0
000148046 0247_ $$2doi$$a10.1016/j.indcrop.2024.119781
000148046 0248_ $$2sideral$$a141548
000148046 037__ $$aART-2024-141548
000148046 041__ $$aeng
000148046 100__ $$aHaftbaradaran Esfahani, Mohammadreza$$uUniversidad de Zaragoza
000148046 245__ $$aGeraniol and hydrophobic geraniol: thymol eutectic mixtures: Structure and thermophysical characterization
000148046 260__ $$c2024
000148046 5060_ $$aAccess copy available to the general public$$fUnrestricted
000148046 5203_ $$aThe properties of essential oils as food preservatives are well-established. These components have also been used as neoteric solvents to prepare eutectic mixtures. Their high capacity to dissolve poorly water-soluble substances makes them particularly interesting in the biotechnology industry. To implement them, it is essential to determine the structural and chemical-physical properties, as well as develop models to predict the behaviour under any operational condition. Herein, pure geraniol and geraniol/thymol mixtures are studied. Nuclear magnetic resonance experiments and molecular dynamics are used to evaluate the fluid structure. In addition, seven thermophysical properties are measured and correlated. The experimental densities, surface tensions, and viscosities were lower than 952 kg m–3, 33 mN m–1, and 36 mPa s, respectively. These values were adequate for the industrial application of these mixtures. PC-SAFT equation of state well predicted the density with an average deviation of 0.13 %, and the isobaric molar heat capacity with a deviation of 6.9 %. Greater compaction was observed at higher thymol molar ratios and dispersive interactions were predominant. Depending on the composition, geraniol was both an acceptor and donor of hydrogen bonds; conversely, thymol acted as a donor. The article provides the necessary knowledge to be able to use these mixtures and design new ones, as ecological solvents in different applications including those in the agri-food sector.
000148046 536__ $$9info:eu-repo/grantAgreement/ES/DGA/E31-23R
000148046 540__ $$9info:eu-repo/semantics/openAccess$$aby-nc-nd$$uhttp://creativecommons.org/licenses/by-nc-nd/3.0/es/
000148046 655_4 $$ainfo:eu-repo/semantics/article$$vinfo:eu-repo/semantics/publishedVersion
000148046 700__ $$aBergua, Fernando
000148046 700__ $$0(orcid)0000-0001-8355-2289$$aDelso, Ignacio
000148046 700__ $$0(orcid)0000-0003-3632-6822$$aLafuente, Carlos$$uUniversidad de Zaragoza
000148046 700__ $$0(orcid)0000-0003-1810-9488$$aArtal, Manuela$$uUniversidad de Zaragoza
000148046 7102_ $$12012$$2755$$aUniversidad de Zaragoza$$bDpto. Química Física$$cÁrea Química Física
000148046 773__ $$g222, 3 (2024), 119781 [12 pp.]$$pInd. crops prod.$$tINDUSTRIAL CROPS AND PRODUCTS$$x0926-6690
000148046 8564_ $$s4448154$$uhttps://zaguan.unizar.es/record/148046/files/texto_completo.pdf$$yVersión publicada
000148046 8564_ $$s2663335$$uhttps://zaguan.unizar.es/record/148046/files/texto_completo.jpg?subformat=icon$$xicon$$yVersión publicada
000148046 909CO $$ooai:zaguan.unizar.es:148046$$particulos$$pdriver
000148046 951__ $$a2025-01-10-14:25:48
000148046 980__ $$aARTICLE