Modeling the liquid-liquid equilibria of polar aprotic solvents/alkanes type mixtures using a modified PR EoS and the Huron-Vidal mixing rules

    Research output: Contribution to journalArticlepeer-review

    4 Scopus citations

    Abstract

    In this work, it is assessed the capability of a cubic equation of state and the Huron-Vidal-NRTL mixing rules to describe the liquid-liquid equilibria of binary mixtures formed by a polar aprotic solvent and alkanes. N,N-dimethylacetamide, 1-methylpirrolidin-2-one, propanenitrile, nitrobenzene and nitromethane are selected as polar aprotic solvents and mixtures including alkanes between butane and hexadecane are studied. For each solvent and the n-alkanes series, generalized expressions are developed for the binary interaction parameters (BIPs) as function of the RTc/Pc ratio of alkanes. All the generalized expressions are obtained by fitting liquid-liquid equilibria experimental data. To validate the proposed model, liquid-liquid, vapor-liquid equilibria and some liquid molar volumes predictions are performed. In total, 35 binary mixtures are analyzed. For the type of mixtures analyzed, it is shown that using the parameters of the pure substances required for the cubic EoS and the critical point of n-alkanes, it is possible to obtain satisfactory description of liquid-liquid and vapor-liquid equilibria at low pressure (below 1 Atm) using a simple thermodynamic model.

    Original languageEnglish
    Article number111380
    JournalJournal of Molecular Liquids
    Volume292
    DOIs
    StatePublished - 15 Oct 2019

    Bibliographical note

    Funding Information:
    The authors thank the support of the Faculty of Chemical Engineering of the Universidad Pontificia Bolivariana.

    Publisher Copyright:
    © 2019 Elsevier B.V.

    Keywords

    • Alkanes
    • Aprotic polar solvent
    • Huron-Vidal mixing rules
    • Liquid-liquid equilibria
    • Peng-Robinson EoS

    Fingerprint

    Dive into the research topics of 'Modeling the liquid-liquid equilibria of polar aprotic solvents/alkanes type mixtures using a modified PR EoS and the Huron-Vidal mixing rules'. Together they form a unique fingerprint.

    Cite this