{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,5,7]],"date-time":"2026-05-07T14:19:37Z","timestamp":1778163577038,"version":"3.51.4"},"reference-count":54,"publisher":"MDPI AG","issue":"6","license":[{"start":{"date-parts":[[2021,3,23]],"date-time":"2021-03-23T00:00:00Z","timestamp":1616457600000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"DOI":"10.13039\/100010665","name":"H2020 Marie Sk\u0142odowska-Curie Actions","doi-asserted-by":"publisher","award":["765608"],"award-info":[{"award-number":["765608"]}],"id":[{"id":"10.13039\/100010665","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001655","name":"Deutscher Akademischer Austauschdienst","doi-asserted-by":"publisher","award":["57453205"],"award-info":[{"award-number":["57453205"]}],"id":[{"id":"10.13039\/501100001655","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001871","name":"Funda\u00e7\u00e3o para a Ci\u00eancia e a Tecnologia","doi-asserted-by":"publisher","award":["57453205"],"award-info":[{"award-number":["57453205"]}],"id":[{"id":"10.13039\/501100001871","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Molecules"],"abstract":"<jats:p>The characterization of terpene-based eutectic solvent systems is performed to describe their solid\u2013liquid phase transitions. Physical properties are measured experimentally and compared to computed correlations for deep eutectic solvents (DES) and the percentage relative error er for the density, surface tension, and refractive index is obtained. The thermodynamic parameters, including the degradation, glass transition and crystallization temperatures, are measured using DSC and TGA. Based on these data, the solid\u2013liquid equilibrium phase diagrams are calculated for the ideal case and predictions are made using the semi-predictive UNIFAC and the predictive COSMO RS models, the latter with two different parametrization levels. For each system, the ideal, experimental, and predicted eutectic points are obtained. The deviation from ideality is observed experimentally and using the thermodynamic models for Thymol:Borneol and Thymol:Camphor. In contrast, a negative deviation is observed only experimentally for Menthol:Borneol and Menthol:Camphor. Moreover, the chemical interactions are analyzed using FTIR and 1H-NMR to study the intermolecular hydrogen bonding in the systems.<\/jats:p>","DOI":"10.3390\/molecules26061801","type":"journal-article","created":{"date-parts":[[2021,3,23]],"date-time":"2021-03-23T14:08:16Z","timestamp":1616508496000},"page":"1801","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":43,"title":["Physicochemical Characterization and Simulation of the Solid\u2013Liquid Equilibrium Phase Diagram of Terpene-Based Eutectic Solvent Systems"],"prefix":"10.3390","volume":"26","author":[{"ORCID":"https:\/\/orcid.org\/0000-0003-2149-1649","authenticated-orcid":false,"given":"Maha M.","family":"Abdallah","sequence":"first","affiliation":[{"name":"iBET, Instituto de Biologia Experimental e Tecnol\u00f3gica, Apartado 12, 2781-901 Oeiras, Portugal"},{"name":"TQB-NOVA, Instituto de Tecnologia Qu\u00edmica e Biol\u00f3gica Ant\u00f3nio Xavier, Universidade Nova de Lisboa, Avenida da Rep\u00fablica, 2780-157 Oeiras, Portugal"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-1684-6994","authenticated-orcid":false,"given":"Simon","family":"M\u00fcller","sequence":"additional","affiliation":[{"name":"Institute for Thermal Separation Processes, Hamburg University of Technology, Ei\u00dfendorfer Stra\u00dfe 38, 21073 Hamburg, Germany"}]},{"given":"Andr\u00e9s","family":"Gonz\u00e1lez de Castilla","sequence":"additional","affiliation":[{"name":"Institute for Thermal Separation Processes, Hamburg University of Technology, Ei\u00dfendorfer Stra\u00dfe 38, 21073 Hamburg, Germany"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-0598-243X","authenticated-orcid":false,"given":"Pavel","family":"Gurikov","sequence":"additional","affiliation":[{"name":"Laboratory for Development and Modelling of Novel Nanoporous Materials, Hamburg University of Technology, Ei\u00dfendorfer Str. 38, 21073 Hamburg, Germany"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-4888-9414","authenticated-orcid":false,"given":"Ana A.","family":"Matias","sequence":"additional","affiliation":[{"name":"iBET, Instituto de Biologia Experimental e Tecnol\u00f3gica, Apartado 12, 2781-901 Oeiras, Portugal"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-5016-4634","authenticated-orcid":false,"given":"Maria do Ros\u00e1rio","family":"Bronze","sequence":"additional","affiliation":[{"name":"iBET, Instituto de Biologia Experimental e Tecnol\u00f3gica, Apartado 12, 2781-901 Oeiras, Portugal"},{"name":"TQB-NOVA, Instituto de Tecnologia Qu\u00edmica e Biol\u00f3gica Ant\u00f3nio Xavier, Universidade Nova de Lisboa, Avenida da Rep\u00fablica, 2780-157 Oeiras, Portugal"},{"name":"FFULisboa, Faculty of Pharmacy, University of Lisbon, Avenida Professor Gama Pinto, 1649-003 Lisbon, Portugal"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-3902-2966","authenticated-orcid":false,"given":"Naiara","family":"Fern\u00e1ndez","sequence":"additional","affiliation":[{"name":"iBET, Instituto de Biologia Experimental e Tecnol\u00f3gica, Apartado 12, 2781-901 Oeiras, Portugal"}]}],"member":"1968","published-online":{"date-parts":[[2021,3,23]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","first-page":"361","DOI":"10.1016\/j.carbpol.2018.07.078","article-title":"Deep eutectic solvents for polysaccharides processing. 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