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

doi:10.1016/j.jiec.2007.09.006

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

Department of Chemical and Biological Engineering

Research output: Contribution to journal › Article › peer-review

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 G^E 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 language	English
Pages (from-to)	219-223
Number of pages	5
Journal	Journal of Industrial and Engineering Chemistry
Volume	14
Issue number	2
DOIs	https://doi.org/10.1016/j.jiec.2007.09.006
Publication status	Published - 2008 Mar

Keywords

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

ASJC Scopus subject areas

Chemical Engineering(all)

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10.1016/j.jiec.2007.09.006

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@article{b068c3a20cf743cf94d4a8bf73fdb1e8,

title = "Liquid-liquid equilibrium correlations using lattice fluid equation of state with hydrogen bonding",

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.",

keywords = "Alcohols, Correlation, Equation of state, Hydrocarbons, Hydrogen bonding, Lattice fluid, Liquid-liquid equilibrium",

author = "Alexander Breitholz and Yoo, {Ki Pung} and Lim, {Jong Sung} and Lee, {Chul Soo} and Kang, {Jeong Won}",

note = "Funding Information: We gratefully acknowledge financial support from the Korea Ministry of Commerce, Industry and Energy and the Korea Energy Management Corporation.",

year = "2008",

month = mar,

doi = "10.1016/j.jiec.2007.09.006",

language = "English",

volume = "14",

pages = "219--223",

journal = "Journal of Industrial and Engineering Chemistry",

issn = "1226-086X",

publisher = "Korean Society of Industrial Engineering Chemistry",

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TY - JOUR

T1 - Liquid-liquid equilibrium correlations using lattice fluid equation of state with hydrogen bonding

AU - Breitholz, Alexander

AU - Yoo, Ki Pung

AU - Lim, Jong Sung

AU - Lee, Chul Soo

AU - Kang, Jeong Won

N1 - Funding Information: We gratefully acknowledge financial support from the Korea Ministry of Commerce, Industry and Energy and the Korea Energy Management Corporation.

PY - 2008/3

Y1 - 2008/3

N2 - 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.

AB - 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.

KW - Alcohols

KW - Correlation

KW - Equation of state

KW - Hydrocarbons

KW - Hydrogen bonding

KW - Lattice fluid

KW - Liquid-liquid equilibrium

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U2 - 10.1016/j.jiec.2007.09.006

DO - 10.1016/j.jiec.2007.09.006

M3 - Article

AN - SCOPUS:40649129247

SN - 1226-086X

VL - 14

SP - 219

EP - 223

JO - Journal of Industrial and Engineering Chemistry

JF - Journal of Industrial and Engineering Chemistry

IS - 2

ER -

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

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Keywords

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