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Flash point of binary and ternary monoterpene mixtures: experimental and modeling

2023Journal article Open access
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dc.contributor.authorVilas-Boas, Sérgio M.
dc.contributor.authorNascimento, Debora C. do
dc.contributor.authorDias, Rafael M.
dc.contributor.authorRozo, Gabriel H.
dc.contributor.authorNeto, Antonio M.B.
dc.contributor.authorFerreira, Olga
dc.contributor.authorPinho, Simão
dc.contributor.authorCosta, Mariana C.
dc.date.accessioned2020-04-06T10:22:32Z
dc.date.available2020-04-06T10:22:32Z
dc.date.issued2023
dc.description.abstractThe flash point (FP) of pure or mixtures of flammable substances is an important indicator in designing fire risk mitigation and prevention measures in the chemical and oil industry. Although FP data of fuel constituents and blends are often found in the literature, studies addressing other flammable mixtures, such as essential oils (EOs) and their constituents (terpenes and terpenoids), are scarce. EOs are aromatic, volatile liquid mixtures extracted from plant matrices that present diverse biological properties and find numerous applications in the food, pharmaceutical, cosmetic, and fragrance industries. In this work, experimental FP measurements of binary and ternary mixtures of four structurally diverse monoterpenes (carvone, eucalyptol, limonene, and linalool), widely found in different EO profiles, were carried out. Besides, the Liaw-UNIFAC model and the COSMO-RS model were used to calculate the FP data of the studied mixtures, resulting in global root-mean-square deviations (RMSD) of 2.0 K and 0.7 K, respectively. Both models deliver better predictions than the ideal approach (RMSD = 2.4 K) for the studied systems, demonstrating the importance of considering nonideal effects when estimating the FP data of terpene mixtures. These results provide essential information for accurate process safety and fire risk assessment in the EO industry.pt_PT
dc.description.versioninfo:eu-repo/semantics/publishedVersionpt_PT
dc.identifier.citationVilas-Boas, Sérgio M.; Nascimento, Debora C. do; Dias, Rafael M.; Rozo, Gabriel H.; Neto, Antonio M.B.; Ferreira, Olga; Pinho, Simão; Costa, Mariana C. (2023). Flash point of binary and ternary monoterpene mixtures: experimental and modeling. Process Safety and Environmental Protection. eISSN 1744-3598. 172, p. 1048-1057pt_PT
dc.identifier.doi10.1016/j.psep.2023.02.088
dc.identifier.eissn1744-3598
dc.identifier.issn0957-5820
dc.identifier.urihttp://hdl.handle.net/10198/21541
dc.language.isoengpt_PT
dc.peerreviewedyespt_PT
dc.publisherElsevierpt_PT
dc.subjectFlash pointpt_PT
dc.subjectMonoterpenept_PT
dc.subjectEssential oilpt_PT
dc.subjectLiaw-UNIFAC modelpt_PT
dc.subjectCOSMO-RS
dc.subjectSafety
dc.titleFlash point of binary and ternary monoterpene mixtures: experimental and modelingpt_PT
dc.typejournal article
dspace.entity.typePublication
oaire.citation.titleProcess Safety and Environmental Protectionpt_PT
person.familyNameFerreira
person.familyNamePinho
person.givenNameOlga
person.givenNameSimão
person.identifier810882
person.identifier.ciencia-id9F1D-C75A-4A54
person.identifier.ciencia-id481D-73AD-8D0F
person.identifier.orcid0000-0001-8414-3479
person.identifier.orcid0000-0002-9211-857X
person.identifier.ridM-4567-2013
person.identifier.ridD-4148-2013
person.identifier.scopus-author-id57203083219
person.identifier.scopus-author-id7003570175
rcaap.rightsopenAccesspt_PT
rcaap.typearticlept_PT
relation.isAuthorOfPublication59e0c608-0c21-4191-af5e-529d21970399
relation.isAuthorOfPublication8ef7789a-34f3-4915-a666-4efe26272a30
relation.isAuthorOfPublication.latestForDiscovery8ef7789a-34f3-4915-a666-4efe26272a30

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