Open Chemistry (Nov 2020)

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

  • Nichita Dan Vladimir,
  • Secuianu Catinca

DOI
https://doi.org/10.1515/chem-2020-0173
Journal volume & issue
Vol. 18, no. 1
pp. 1316 – 1322

Abstract

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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.

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