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<p>This paper reports the Analytical Solutions of Groups (ASOG) for the prediction of liquid–liquid equilibria (LLE), i.e., ASOG-LLE. In this work, the fundamental group pair parameters of ASOG-LLE were determined from the experimental LLE data. To determine these parameters, we measured binodal curves and tie-line LLE data for ternary systems of heptane + alcohol (ethanol, 1-propanol, 2-propanol, and 1-butanol) + methanol at 303.15 and 298.15 K. The experimental tie-line LLE data were correlated using the NRTL model. ASOG-LLE parameters including CH<sub>2</sub>, OH, H<sub>2</sub>O, 1-PrOH, and 2-PrOH, as fundamental groups, were determined using our experimental LLE tie-line data with literature values for systems including alcohol + alcohol + alkane, alcohol + water + alcohol and alcohol + water + alkane. The predicted LLE results were compared with those based on the Universal Functional Group Activity Coefficient (UNIFAC)- LLE.</p>

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Measurement of Liquid–Liquid Equilibria for Heptane + Alcohol + Methanol Systems and Prediction Using ASOG-LLE

  • 期刊论文

  • 发表日期：

    2025年3月6日

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  • Katsumi Tochigi,
  • Hiroyuki Matsuda,
  • Katsumi Yokoyama,
  • Tomoya Tsuji,
  • Kiyofumi Kurihara

摘要

This paper reports the Analytical Solutions of Groups (ASOG) for the prediction of liquid–liquid equilibria (LLE), i.e., ASOG-LLE. In this work, the fundamental group pair parameters of ASOG-LLE were determined from the experimental LLE data. To determine these parameters, we measured binodal curves and tie-line LLE data for ternary systems of heptane + alcohol (ethanol, 1-propanol, 2-propanol, and 1-butanol) + methanol at 303.15 and 298.15 K. The experimental tie-line LLE data were correlated using the NRTL model. ASOG-LLE parameters including CH2, OH, H2O, 1-PrOH, and 2-PrOH, as fundamental groups, were determined using our experimental LLE tie-line data with literature values for systems including alcohol + alcohol + alkane, alcohol + water + alcohol and alcohol + water + alkane. The predicted LLE results were compared with those based on the Universal Functional Group Activity Coefficient (UNIFAC)- LLE.