Automated calculation of complete Pxy and Txy diagrams for binary systems

Martin Cismondi, Michael Locht Michelsen

Research output: Contribution to journalJournal articleResearchpeer-review

Abstract

An algorithm for the calculation of global phase equilibrium diagrams has been recently developed [M. Cismondi, M.L. Michelsen, Global phase equilibrium calculations: critical lines, critical end points and liquid-liquid-vapour equilibrium in binary mixtures, J. Supercrit. Fluids 39 (2007) 287-295]. It integrates the calculation of critical lines, liquid-liquid-vapour (LLV) lines and critical end points, and was implemented in the software program GPEC: global phase equilibrium calculations [M. Cismondi, D.N. Nunez, M.S. Zabaloy, E.A. Brignole, M.L. Michelsen, J.M. Mollerup, GPEC: a program for global phase equilibrium calculations in binary systems, in: Proceedings of the CD-ROM EQUIFASE 2006, Morelia, Michoacan, Mexico, October 21-25, 2006; www.gpec.plapiqui.edu.ar]. In this work we present the methods and computational strategy for the automated calculation of complete Pxy and Txy diagrams in binary systems. Being constructed from the points given by the global phase diagram at a specified temperature or pressure, their calculation does not require the implementation of stability analysis. We illustrate the application of the algorithm through a variety of Pxy and Txy diagrams generated using the RK-PR EOS.
Original languageEnglish
JournalFluid Phase Equilibria
Volume259
Issue number2
Pages (from-to)228-234
ISSN0378-3812
DOIs
Publication statusPublished - 2007

Keywords

  • Pxy
  • calculation
  • Txy
  • phase diagrams
  • equations of state
  • binary systems

Fingerprint Dive into the research topics of 'Automated calculation of complete Pxy and Txy diagrams for binary systems'. Together they form a unique fingerprint.

Cite this