Liquid-liquid equilibrium correlations using lattice fluid equation of state with hydrogen bonding

Alexander Breitholz, Ki Pung Yoo, Jong Sung Lim, Chul Soo Lee, Jeong Won Kang

Research output: Contribution to journalArticle

1 Citation (Scopus)

Abstract

The nonrandom lattice equation of state with hydrogen bonding (NLF-HB EOS) was examined for the correlation of liquid-liquid equilibria (LLE) for binary alcohol and hydrocarbon mixture in a wide pressure range. For hydrocarbon + alcohol mixtures the consideration of a hydrogen-bonding term in the lattice equation of state clearly improves the prediction for vapor-liquid equilibrium (VLE) as shown in previous works, but the prediction of LLE is still in question. In this paper, LLE data for alcohols (methanol and ethanol) + hydrocarbons (n-hexane to n-hexadecane) were correlated by NLF-HB EOS and results were compared with a cubic equation of state (Peng-Robinson EOS with the T-K Wilson based GE model). Both equations of state showed similar degree of accuracies but with different number of adjustable parameters. The Peng-Robinson EOS based approach requires six temperature dependent coefficients for accurate calculation whereas NLF-HB EOS requires only two temperature dependent coefficients. The effects of varying hydrogen-bonding energies for NLF-HB EOS are discussed.

Original languageEnglish
Pages (from-to)219-223
Number of pages5
JournalJournal of Industrial and Engineering Chemistry
Volume14
Issue number2
DOIs
Publication statusPublished - 2008 Mar 1

Fingerprint

Equations of state
Hydrogen bonds
Fluids
Liquids
Hydrocarbons
Alcohols
Hexane
Phase equilibria
Methanol
Ethanol
Temperature

Keywords

  • Alcohols
  • Correlation
  • Equation of state
  • Hydrocarbons
  • Hydrogen bonding
  • Lattice fluid
  • Liquid-liquid equilibrium

ASJC Scopus subject areas

  • Engineering (miscellaneous)

Cite this

Liquid-liquid equilibrium correlations using lattice fluid equation of state with hydrogen bonding. / Breitholz, Alexander; Yoo, Ki Pung; Lim, Jong Sung; Lee, Chul Soo; Kang, Jeong Won.

In: Journal of Industrial and Engineering Chemistry, Vol. 14, No. 2, 01.03.2008, p. 219-223.

Research output: Contribution to journalArticle

Breitholz, Alexander ; Yoo, Ki Pung ; Lim, Jong Sung ; Lee, Chul Soo ; Kang, Jeong Won. / Liquid-liquid equilibrium correlations using lattice fluid equation of state with hydrogen bonding. In: Journal of Industrial and Engineering Chemistry. 2008 ; Vol. 14, No. 2. pp. 219-223.
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