Univolatility curves in ternary mixtures: geometry and numerical computation

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

1 ToxAlim - ToxAlim
2 CAI - Chimie Agro-Industrielle
3 IVC-SEP - 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: Sciences du Vivant [q-bio]; Ingénierie des aliments; Génie des procédés

Nataliya Shcherbakova, Ivonne Rodriguez Donis, Jens Abildskov, Vincent Gerbaud. Univolatility curves in ternary mixtures: geometry and numerical computation. 27. European Symposium on Computer Aided Process Engineering (ESCAPE), 2017, Barcelone, Spain. ⟨10.1016/b978-0-444-63965-3.50040-4⟩. ⟨hal-02736178⟩