TY - JOUR
T1 - Isobaric Vapor–Liquid Equilibrium of Methylcyclohexane + Toluene with Gamma-Valerolactone as a Biobased Entrainer and 1-Methylpyrrolidin-2-one as a Conventional Entrainer
AU - Hartanto, D.
AU - Schuur, Boelo
AU - Schuttevaer, Tim
AU - Kiss, A.A.
AU - de Haan, A.B.
PY - 2025
Y1 - 2025
N2 - The isobaric vapor–liquid equilibrium (VLE) data of the binary mixture of methylcyclohexane (1) + toluene (2) at 101.3 kPa; the pseudoternary mixture of methylcyclohexane (1) + toluene (2) + gamma-valerolactone (GVL) (3) with the entrainer-to-feed ratio (E/F) = 1 (mass basis) at 50, 80, and 100 kPa, and E/F = 2 and 3 at 100 kPa; and the pseudoternary mixture of methylcyclohexane (1) + toluene (2) + 1-methylpyrrolidin-2-one (NMP) (3) with E/F = 1 at 100 kPa were measured using a Fischer Labodest VLE602 ebulliometer. The reliability of the experimental VLE data was tested and confirmed by Van Ness and Fredenslund thermodynamic consistency tests. The experimental results indicate that the presence of GVL and NMP increases the relative volatility of methylcyclohexane to toluene; therefore, both entrainers remove a close-boiling behavior in the mixture. Non-random two-liquid (NRTL) and universal quasi chemical (UNIQUAC) thermodynamic models were applied in the experimental data correlation to obtain the optimum binary interaction parameters. For the mixture involving GVL, the experimental VLE data were accurately correlated by NRTL and UNIQUAC. However, NRTL has more accurate results compared with UNIQUAC. For the mixture containing NMP, both the UNIQUAC and NRTL models show favorable regression results.
AB - The isobaric vapor–liquid equilibrium (VLE) data of the binary mixture of methylcyclohexane (1) + toluene (2) at 101.3 kPa; the pseudoternary mixture of methylcyclohexane (1) + toluene (2) + gamma-valerolactone (GVL) (3) with the entrainer-to-feed ratio (E/F) = 1 (mass basis) at 50, 80, and 100 kPa, and E/F = 2 and 3 at 100 kPa; and the pseudoternary mixture of methylcyclohexane (1) + toluene (2) + 1-methylpyrrolidin-2-one (NMP) (3) with E/F = 1 at 100 kPa were measured using a Fischer Labodest VLE602 ebulliometer. The reliability of the experimental VLE data was tested and confirmed by Van Ness and Fredenslund thermodynamic consistency tests. The experimental results indicate that the presence of GVL and NMP increases the relative volatility of methylcyclohexane to toluene; therefore, both entrainers remove a close-boiling behavior in the mixture. Non-random two-liquid (NRTL) and universal quasi chemical (UNIQUAC) thermodynamic models were applied in the experimental data correlation to obtain the optimum binary interaction parameters. For the mixture involving GVL, the experimental VLE data were accurately correlated by NRTL and UNIQUAC. However, NRTL has more accurate results compared with UNIQUAC. For the mixture containing NMP, both the UNIQUAC and NRTL models show favorable regression results.
U2 - 10.1021/acs.jced.4c00509
DO - 10.1021/acs.jced.4c00509
M3 - Article
SN - 0021-9568
VL - 70
SP - 1339
EP - 1351
JO - Journal of Chemical and Engineering Data
JF - Journal of Chemical and Engineering Data
IS - 3
ER -