Univolatility curves in ternary mixtures: geometry and numerical computation.

Nataliya Shcherbakova (1) , Ivonne Rodríguez-Donis (2) , Jens Abildskov (3) , Vincent Gerbaud (1)

1 LGC - Laboratoire de Génie Chimique
2 CAI - Chimie Agro-Industrielle
3 Department of Chemical and Biochemical Engineering

We propose a new non-iterative numerical algorithm allowing computation of all univolatility curves in homogeneous ternary mixtures independently of the presence of the azeotropes. The key point is the concept of generalized univolatility curves in the 3D state space, which allows the main computational part to be reduced to a simple integration of a system of ordinary differential equations.

Mots clés: Univolatility curves; Differential continuation method; Azeotropes bifurcation; Double azeotropy

Domaines: Génie chimique; Génie des procédés

Nataliya Shcherbakova, Ivonne Rodríguez-Donis, Jens Abildskov, Vincent Gerbaud. Univolatility curves in ternary mixtures: geometry and numerical computation.. ESCAPE 27, 27th European Symposium on Computer-Aided Process Engineering (ESCAPE 27), Oct 2017, Barcelone, Spain. pp.229-234. ⟨hal-03624467⟩