Flash point prediction with UNIFAC type models of ethylic biodiesel and binary/ternary mixtures of FAEEs

Débora Costa Do Nascimento (1) , Natália Daniele Dorighello Carareto (2) , Antonio Marinho Barbosa Neto (3) , Vincent Gerbaud (4) , Mariana Conceição da Costa (1)

1 IC - Institute of Computing [Campinas]
2 LMCPA - Laboratoire des Matériaux Céramiques et Procédés Associés - EA 2443
3 Universidade do Estado de Santa Catarina
4 LGC - Laboratoire de Génie Chimique

In order to guarantee safe handling of a combustible liquid, such as biodiesel, it is important to be aware of its Flash Point (FP). Thus, the present study focused on FP experimental measurement and thermodynamic correlation of binary and ternary mixtures of saturated or unsaturated fatty acid ethyl esters (FAEEs) as surrogates for biodiesel. FP of different types of ethylic biodiesel in terms of feedstock (canola, corn, cotton and soy oils) were also measured and compared with the predicted values. Experiments were carried out in agreement with the standard closed cup procedure ASTM D6450. Liaw’s model was applied to FP prediction, with liquid phase non-ideality description accounted for by UNIFAC group contribution models (Original UNIFAC, UNIFAC-Dortmund and UNIFAC-Bessa with revised parameters for fats). FP prediction accounting for non-ideality proved to be accurate, with some difference between the UNIFAC type models and Root Mean Square Deviations (RMSD) varying from 0.27 K to 3.95 K for binary and ternary mixtures.

Mots clés: Flash point; Ethyl esters; Biodiesel; UNIFAC

Domaines: Génie chimique; Génie des procédés

Débora Costa Do Nascimento, Natália Daniele Dorighello Carareto, Antonio Marinho Barbosa Neto, Vincent Gerbaud, Mariana Conceição da Costa. Flash point prediction with UNIFAC type models of ethylic biodiesel and binary/ternary mixtures of FAEEs. Fuel, 2020, 281, pp.118717. ⟨10.1016/j.fuel.2020.118717⟩. ⟨hal-03115520⟩