Isobaric vapor–liquid equilibria and distillation process design for separating ketones in biomass pyrolysis oil

Shang, Qiaoyan; Xiao, Jifa; Liu, Xiaojuan; Ling, Yujie; Liu, Wenge; Cui, Guanwei; Shi, Xifeng

doi:10.1016/j.jct.2021.106622

Cited by 6 publications

(2 citation statements)

References 29 publications

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“…25 Cyclopentanone has found application in various industries due to its distinctive physicochemical properties, including the fine chemical, rubber, pharmaceutical, and biofuel industries. 26 Among these components, only VLE data for binary systems of butan-2-one + cyclopentanone at atmospheric pressure 27 and butan-2-one + 2-methylpropan-1-ol containing six data points at 94.7 kPa 28 have been reported in the literature. Therefore, the study of the phase equilibrium for binary and ternary mixtures of butan-2-one + 2-methylpropan-1-ol + cyclopentanone will contribute to the development of the relevant thermodynamic models and the design of the separation process.…”

Section: Introductionmentioning

confidence: 99%

Correlation and Prediction of Isobaric Vapor–Liquid Equilibria of Binary and Ternary Systems Containing Oxygenated Biofuel Compounds (Butan-2-one + 2-Methylpropan-1-ol + Cyclopentanone) at Atmospheric Pressure

et al. 2023

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Process modeling and feasibility studies for biofuel production require accurate phase equilibria data. Binary mixtures of common biofuel compounds butan-2-one + 2-methylpropan-1-ol, butan-2-one + cyclopentanone, 2-methylpropan-1-ol + cyclopentanone, and a ternary system of all three components were studied to obtain vapor−liquid equilibrium data at atmospheric pressure. The experimental data were validated and verified thermodynamically by employing the modified McDermott−Ellis, Van Ness, and Herington methods. The binary vapor−liquid equilibrium (VLE) data were successfully correlated with the Wilson, NRTL, and UNIQUAC activity coefficient models and predicted with the PSRK model. Further, the PSRK model and NRTL with the obtained binary interaction parameter (BIP) model were applied to forecast VLE data for the ternary system of butan-2-one + 2methylpropan-1-ol + cyclopentanone. Both PSRK and NRTL models showed good accuracy in predicting the equilibrium temperature. At the same time, the PSRK model outperformed the NRTL model in predicting the composition of the vapor phase. The PSRK model was quite accurate for predicting the VLE of these biofuel components, even without any experimental data.

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Section: Introductionmentioning

confidence: 99%

Correlation and Prediction of Isobaric Vapor–Liquid Equilibria of Binary and Ternary Systems Containing Oxygenated Biofuel Compounds (Butan-2-one + 2-Methylpropan-1-ol + Cyclopentanone) at Atmospheric Pressure

et al. 2023

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“…Products, process, and separation engineering design need complex fluids vapor-liquid equilibrium (VLE) data [1]. It can be determined with an experimental method.…”

Section: Introductionmentioning

confidence: 99%

Elements and Chemical Bonds Contribution Estimation of Activity Coefficients in Nonideal Liquid Mixtures

Liu

Wang

et al. 2022

Processes

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Based on the contribution of elements and chemical bonds, the UNICAC (Universal Quasi-Chemical elements and chemical bonds Activity Coefficient) method was proposed to estimate the activity coefficients of nonelectrolyte liquid mixtures. The UNICAC method defined 10 elements and 33 chemical bonds as contribution groups. The calculation of activity coefficients was divided into the combination term and the residual term. The combination term represents molecular size differences, and the residual term describes the interaction between molecules. The interaction energy parameters of 43 groups were regressed simultaneously with the experimental data of the vapor–liquid equilibrium of 1085 binary systems. According to the molecular structural information of compounds, the UNICAC method can accurately predict the activity coefficients of nonelectrolyte liquid mixtures. The vapor–liquid equilibrium of 16 groups of the binary system, which were not included in the parameters regress, was predicted using UNICAC. The average relative error of vapor composition was 1.53%. Compared with UNIFAC (2003), UNIFAC (Lyngby), UNIFAC (Dortmund), and ASOG (2011), the UNICAC model employs fewer parameters, provides a broader scope of application, and receives more precise predicted results of the vapor–liquid equilibrium. The UNICAC method would play an important reference role in the design of the chemical separation process.

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Utilization of Different Fractions of Pyrolysis Water in Coal Water Fuel for Additional Heat Recovery

Kaltaev

Slyusarskiy

Kirgina

et al. 2022

Waste Biomass Valor

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Isobaric vapor–liquid equilibria and distillation process design for separating ketones in biomass pyrolysis oil

Cited by 6 publications

References 29 publications

Correlation and Prediction of Isobaric Vapor–Liquid Equilibria of Binary and Ternary Systems Containing Oxygenated Biofuel Compounds (Butan-2-one + 2-Methylpropan-1-ol + Cyclopentanone) at Atmospheric Pressure

Correlation and Prediction of Isobaric Vapor–Liquid Equilibria of Binary and Ternary Systems Containing Oxygenated Biofuel Compounds (Butan-2-one + 2-Methylpropan-1-ol + Cyclopentanone) at Atmospheric Pressure

Elements and Chemical Bonds Contribution Estimation of Activity Coefficients in Nonideal Liquid Mixtures

Utilization of Different Fractions of Pyrolysis Water in Coal Water Fuel for Additional Heat Recovery

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