Modeling of the Thermodynamics of the Acetic Acid−Water Mixture Using the Cubic-Plus-Association Equation of State

Publication: Research - peer-reviewJournal article – Annual report year: 2011

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@article{cd1d73f1691d4115801c7d719c0f3985,
title = "Modeling of the Thermodynamics of the Acetic Acid−Water Mixture Using the Cubic-Plus-Association Equation of State",
publisher = "American Chemical Society",
author = "Breil, {Martin Peter} and Georgios Kontogeorgis and Behrens, {Paul K.} and Michelsen, {Michael Locht}",
year = "2011",
doi = "10.1021/ie102105r",
volume = "50",
number = "9",
pages = "5795--5805",
journal = "Industrial & Engineering Chemistry Research",
issn = "0888-5885",

}

RIS

TY - JOUR

T1 - Modeling of the Thermodynamics of the Acetic Acid−Water Mixture Using the Cubic-Plus-Association Equation of State

A1 - Breil,Martin Peter

A1 - Kontogeorgis,Georgios

A1 - Behrens,Paul K.

A1 - Michelsen,Michael Locht

AU - Breil,Martin Peter

AU - Kontogeorgis,Georgios

AU - Behrens,Paul K.

AU - Michelsen,Michael Locht

PB - American Chemical Society

PY - 2011

Y1 - 2011

N2 - The cubic-plus-association (CPA) equation of state is applied in this work to mixtures containing acetic acid and water. A previously developed modification of the model, the so-called CPA-Huron−Vidal (CPA-HV), is used. New CPA parameters have been estimated based on the vapor pressure, liquid density, enthalpy of vaporization, and vapor-phase compressibility factor data. The CPA-HV parameters have been fitted to, among others, experimental vapor compressibility factor data and experimental relative volatility data at different temperature ranges. The purpose of the work was to investigate whether the CPA-HV model can describe the vapor−liquid equilibrium for acetic acid−water over a temperature range of 200 K and at the same time represent the behavior of pure acetic acid and acetic acid−water mixtures with respect to enthalpies of vaporization and compressibility factors. It is shown that satisfactory results are overall obtained, but if an excellent match is needed over the whole temperature range, then different interaction parameters need to be used at the various temperature ranges.

AB - The cubic-plus-association (CPA) equation of state is applied in this work to mixtures containing acetic acid and water. A previously developed modification of the model, the so-called CPA-Huron−Vidal (CPA-HV), is used. New CPA parameters have been estimated based on the vapor pressure, liquid density, enthalpy of vaporization, and vapor-phase compressibility factor data. The CPA-HV parameters have been fitted to, among others, experimental vapor compressibility factor data and experimental relative volatility data at different temperature ranges. The purpose of the work was to investigate whether the CPA-HV model can describe the vapor−liquid equilibrium for acetic acid−water over a temperature range of 200 K and at the same time represent the behavior of pure acetic acid and acetic acid−water mixtures with respect to enthalpies of vaporization and compressibility factors. It is shown that satisfactory results are overall obtained, but if an excellent match is needed over the whole temperature range, then different interaction parameters need to be used at the various temperature ranges.

U2 - 10.1021/ie102105r

DO - 10.1021/ie102105r

JO - Industrial & Engineering Chemistry Research

JF - Industrial & Engineering Chemistry Research

SN - 0888-5885

IS - 9

VL - 50

SP - 5795

EP - 5805

ER -