Correlation and prediction of mixing thermodynamic properties of ester-containing systems: Ester + alkane and ester + ester binary systems and the ternary dodecane + ethyl pentanoate + ethyl ethanoate

Noelia Pérez, Luís Fernández, Juan Ortega, Francisco J. Toledo, Jaime Wisniak

Research output: Contribution to journalArticlepeer-review

5 Scopus citations

Abstract

Excess thermodynamic properties VmE and HmE, have been measured for the ternary mixture dodecane + ethyl pentanoate + ethyl ethanoate and for the corresponding binaries dodecane + ethyl pentanoate, dodecane + ethyl ethanoate, ethyl pentanoate + ethyl ethanoate at 298.15 K. All mixtures show endothermic and expansive effects. Experimental results are correlated with a suitable equation whose final form for the excess ternary quantity M E contains the particular contributions of the three binaries (i-j) and a last term corresponding to the ternary, all of them obtained considering fourth-order interactions. The fit goodness for all mixtures is good and comparable to others equations taken from the literature. In this work the dissolution model for the binaries and ternary is analyzed with a special attention to ester-ester binaries whose behaviour is discussed. The application of the UNIFAC group contribution model to estimate the HmE yields acceptable results for the binaries (with the exception of ester-ester) and for the ternary mixture.

Original languageEnglish
Pages (from-to)41-48
Number of pages8
JournalJournal of Chemical Thermodynamics
Volume54
DOIs
StatePublished - 1 Nov 2012

Keywords

  • Alkane
  • Correlation
  • Ethyl ester
  • Excess molar enthalpies
  • Excess molar volumes
  • Ternary mixture
  • UNIFAC

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics
  • General Materials Science
  • Physical and Theoretical Chemistry

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