An improved reduction method for phase stability testing in the single-phase region

Dan Vladimir Nichita (1) , Catinca Secuianu (2)

1 LFCR - Laboratoire des Fluides Complexes et leurs Réservoirs
2 Dept Inorgan Chem Phys Chem & Electrochem

A new reduction method for mixture phase stability testing is proposed, consisting in Newton iterations with a particular set of independent variables and residual functions. The dimension of the problem does not depend on the number of components but on the number of components with nonzero binary interaction parameters in the equation of state. Numerical experiments show an improved convergence behavior, mainly for the domain located outside the stability test limit locus in the pressure-temperature plane, recommending the proposed method for any applications in which the problematic domain is crossed a very large number of times during simulations.

Mots clés: phase stability; stability test limit locus; singularity; convergence; number of iterations

Domaines: Sciences de l'ingénieur [physics]

Dan Vladimir Nichita, Catinca Secuianu. An improved reduction method for phase stability testing in the single-phase region. Open Chemistry, 2020, 18 (1), pp.1316-1322. ⟨10.1515/chem-2020-0173⟩. ⟨hal-03025014⟩