Binary Isobaric Vapor–Liquid Equilibrium for Methyl Benzoate with Benzyl Alcohol and Benzaldehyde

Seon Hwa Baek; Won Wook Seo; Tae Hyun Kim; Jeong Won Kang

doi:10.1007/s10765-024-03441-0

Binary Isobaric Vapor–Liquid Equilibrium for Methyl Benzoate with Benzyl Alcohol and Benzaldehyde

Seon Hwa Baek, Won Wook Seo, Tae Hyun Kim, Jeong Won Kang

Department of Chemical and Biological Engineering

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

Abstract

The binary vapor–liquid equilibria (VLE) of (methyl benzoate + benzyl alcohol) and (methyl benzoate + benzaldehyde) were measured and correlated using activity coefficient models. The measurements were performed using a modified Othmer still at constant pressures of 101.3, 51.3, and 21.3 kPa. The measured data were tested for consistency and correlated using the non-random two-liquid (NRTL), Wilson, and universal quasi-chemical (UNIQUAC) models. The data were also compared with predictive models, such as UNIFAC and the machine learning version of COSMO-SAC. Temperature dependence of the interaction parameters was required to accurately represent the data, covering the pressure range of the experiments. These results can be used to design a purification process for methyl benzoate production.

Original language	English
Article number	151
Journal	International Journal of Thermophysics
Volume	45
Issue number	10
DOIs	https://doi.org/10.1007/s10765-024-03441-0
Publication status	Published - 2024 Oct

Bibliographical note

Publisher Copyright:
© The Author(s), under exclusive licence to Springer Science+Business Media, LLC, part of Springer Nature 2024.

Keywords

Benzaldehyde benzoate
Benzyl alcohol
Methyl benzoate
NRTL Model
Vapor–Liquid Equilibrium (VLE)

ASJC Scopus subject areas

Condensed Matter Physics

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title = "Binary Isobaric Vapor–Liquid Equilibrium for Methyl Benzoate with Benzyl Alcohol and Benzaldehyde",

abstract = "The binary vapor–liquid equilibria (VLE) of (methyl benzoate + benzyl alcohol) and (methyl benzoate + benzaldehyde) were measured and correlated using activity coefficient models. The measurements were performed using a modified Othmer still at constant pressures of 101.3, 51.3, and 21.3 kPa. The measured data were tested for consistency and correlated using the non-random two-liquid (NRTL), Wilson, and universal quasi-chemical (UNIQUAC) models. The data were also compared with predictive models, such as UNIFAC and the machine learning version of COSMO-SAC. Temperature dependence of the interaction parameters was required to accurately represent the data, covering the pressure range of the experiments. These results can be used to design a purification process for methyl benzoate production.",

keywords = "Benzaldehyde benzoate, Benzyl alcohol, Methyl benzoate, NRTL Model, Vapor–Liquid Equilibrium (VLE)",

author = "Baek, {Seon Hwa} and Seo, {Won Wook} and Kim, {Tae Hyun} and Kang, {Jeong Won}",

note = "Publisher Copyright: {\textcopyright} The Author(s), under exclusive licence to Springer Science+Business Media, LLC, part of Springer Nature 2024.",

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doi = "10.1007/s10765-024-03441-0",

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AU - Baek, Seon Hwa

AU - Seo, Won Wook

AU - Kim, Tae Hyun

AU - Kang, Jeong Won

N1 - Publisher Copyright: © The Author(s), under exclusive licence to Springer Science+Business Media, LLC, part of Springer Nature 2024.

PY - 2024/10

Y1 - 2024/10

N2 - The binary vapor–liquid equilibria (VLE) of (methyl benzoate + benzyl alcohol) and (methyl benzoate + benzaldehyde) were measured and correlated using activity coefficient models. The measurements were performed using a modified Othmer still at constant pressures of 101.3, 51.3, and 21.3 kPa. The measured data were tested for consistency and correlated using the non-random two-liquid (NRTL), Wilson, and universal quasi-chemical (UNIQUAC) models. The data were also compared with predictive models, such as UNIFAC and the machine learning version of COSMO-SAC. Temperature dependence of the interaction parameters was required to accurately represent the data, covering the pressure range of the experiments. These results can be used to design a purification process for methyl benzoate production.

AB - The binary vapor–liquid equilibria (VLE) of (methyl benzoate + benzyl alcohol) and (methyl benzoate + benzaldehyde) were measured and correlated using activity coefficient models. The measurements were performed using a modified Othmer still at constant pressures of 101.3, 51.3, and 21.3 kPa. The measured data were tested for consistency and correlated using the non-random two-liquid (NRTL), Wilson, and universal quasi-chemical (UNIQUAC) models. The data were also compared with predictive models, such as UNIFAC and the machine learning version of COSMO-SAC. Temperature dependence of the interaction parameters was required to accurately represent the data, covering the pressure range of the experiments. These results can be used to design a purification process for methyl benzoate production.

KW - Benzaldehyde benzoate

KW - Benzyl alcohol

KW - Methyl benzoate

KW - NRTL Model

KW - Vapor–Liquid Equilibrium (VLE)

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Binary Isobaric Vapor–Liquid Equilibrium for Methyl Benzoate with Benzyl Alcohol and Benzaldehyde

Abstract

Bibliographical note

Keywords

ASJC Scopus subject areas

Access to Document

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