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

Open Chemistry

Nichita Dan Vladimir¹  Secuianu Catinca² 

[1] CNRS UMR 5150, Laboratoire des Fluides Complexes et leurs Réservoirs, Université de Pau et des Pays de l’Adour, 64013, Pau, France;Department of Inorganic Chemistry, Physical Chemistry and Electrochemistry, Faculty of Applied Chemistry and Materials Science, University Politehnica of Bucharest, 1-7 Gh. Polizu Street, S1, 011061, Bucharest, Romania;

关键词: phase stability;    stability test limit locus;    singularity;    convergence;    number of iterations;   

DOI  :  10.1515/chem-2020-0173

来源: DOAJ

【 摘 要 】

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.

【 授权许可】

Unknown