abstract
The 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.
keywords
MENTHA-SPICATA L.; ESSENTIAL OIL COMPOSITION; CARUM-CARVI; PREDICTION MODEL; COSMO-RS; SOLVENTS; FLAMMABILITY; EXTRACTION; PRODUCTS; BIOSYNTHESIS
subject category
Engineering
authors
Vilas-Boas, SM; do Nascimento, DC; Dias, RM; Rozo, GH; Neto, AMB; Ferreira, O; Pinho, SP; da Costa, MC
Groups
Projects
CICECO - Aveiro Institute of Materials (UIDB/50011/2020)
CICECO - Aveiro Institute of Materials (UIDP/50011/2020)
Associated Laboratory CICECO-Aveiro Institute of Materials (LA/P/0006/2020)
acknowledgements
This study was financed in part by The Brazilian National Council for Scientific and Technological Development (CNPq) , grants 163506/2020-5 and 306666/2020-0, in part by the Sao Paulo Research Foundation (FAPESP) , grants 2014/21252-0, 2020/06315-7, and 2022/00537-3, and Foundation for Research and Innovation of the State of Santa Catarina (FAPESC) , grants 2021TR000544 and 2021TR794.The authors are grateful to the Foundation for Science and Technology (FCT, Portugal) for financial support through national funds FCT/MCTES (PIDDAC) to CIMO (UIDB/00690/2020 and UIDP/00690/2020) and SusTEC (LA/P/0007/2021) , and to project CICECO-Aveiro Institute of Materials (UIDB/50011/2020, UIDP/50011/2020 and LA/P/0006/2020) . Sergio M. Vilas-Boas thanks FCT and European Social Fund (ESF) for his Ph.D. grant (SFRH/BD/138149/2018 and COVID/BD/152936/2022) .