Modeling systems relevant to the biodiesel production using the CPA equation of state. Part 2. Systems with supercritical CO2

Ioannis Tsivintzelis*, Shahid Ali, Georgios M. Kontogeorgis

*Corresponding author for this work

Research output: Contribution to journalJournal articleResearchpeer-review

Abstract

The CPA EoS is applied to binary mixtures of CO2 with fatty acids and their methyl- or ethyl-esters. The model, using one temperature independent binary interaction parameter, satisfactorily describes the phase behavior of such systems. Correlations of the binary interaction parameters with the number of esters' or acids’ carbon atoms, or with the number of double bonds for compounds with the same number of carbon atoms, were developed in order to make predictions feasible in cases of lack of experimental data. Subsequently, the model was applied for predicting the phase behavior of ternary and multicomponent mixtures. The model rather satisfactorily predicts the vapor-liquid equilibrium of such systems. In accordance with the first part of this series of articles [Tsivintzelis et al. 430 (2016) 75–92], since the binary parameters were optimized solely using experimental data for binary mixtures, CPA results for the ternary and multicomponent mixtures are pure predictions.

Original languageEnglish
Article number112337
JournalFluid Phase Equilibria
Volume504
Number of pages11
ISSN0378-3812
DOIs
Publication statusPublished - 2020

Keywords

  • Biodiesel
  • CPA
  • Esters of fatty acids
  • Fatty acids
  • Phase equilibrium
  • Supercritical CO2

Cite this

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title = "Modeling systems relevant to the biodiesel production using the CPA equation of state. Part 2. Systems with supercritical CO2",
abstract = "The CPA EoS is applied to binary mixtures of CO2 with fatty acids and their methyl- or ethyl-esters. The model, using one temperature independent binary interaction parameter, satisfactorily describes the phase behavior of such systems. Correlations of the binary interaction parameters with the number of esters' or acids’ carbon atoms, or with the number of double bonds for compounds with the same number of carbon atoms, were developed in order to make predictions feasible in cases of lack of experimental data. Subsequently, the model was applied for predicting the phase behavior of ternary and multicomponent mixtures. The model rather satisfactorily predicts the vapor-liquid equilibrium of such systems. In accordance with the first part of this series of articles [Tsivintzelis et al. 430 (2016) 75–92], since the binary parameters were optimized solely using experimental data for binary mixtures, CPA results for the ternary and multicomponent mixtures are pure predictions.",
keywords = "Biodiesel, CPA, Esters of fatty acids, Fatty acids, Phase equilibrium, Supercritical CO2",
author = "Ioannis Tsivintzelis and Shahid Ali and Kontogeorgis, {Georgios M.}",
year = "2020",
doi = "10.1016/j.fluid.2019.112337",
language = "English",
volume = "504",
journal = "Fluid Phase Equilibria",
issn = "0378-3812",
publisher = "Elsevier",

}

Modeling systems relevant to the biodiesel production using the CPA equation of state. Part 2. Systems with supercritical CO2. / Tsivintzelis, Ioannis; Ali, Shahid; Kontogeorgis, Georgios M.

In: Fluid Phase Equilibria, Vol. 504, 112337, 2020.

Research output: Contribution to journalJournal articleResearchpeer-review

TY - JOUR

T1 - Modeling systems relevant to the biodiesel production using the CPA equation of state. Part 2. Systems with supercritical CO2

AU - Tsivintzelis, Ioannis

AU - Ali, Shahid

AU - Kontogeorgis, Georgios M.

PY - 2020

Y1 - 2020

N2 - The CPA EoS is applied to binary mixtures of CO2 with fatty acids and their methyl- or ethyl-esters. The model, using one temperature independent binary interaction parameter, satisfactorily describes the phase behavior of such systems. Correlations of the binary interaction parameters with the number of esters' or acids’ carbon atoms, or with the number of double bonds for compounds with the same number of carbon atoms, were developed in order to make predictions feasible in cases of lack of experimental data. Subsequently, the model was applied for predicting the phase behavior of ternary and multicomponent mixtures. The model rather satisfactorily predicts the vapor-liquid equilibrium of such systems. In accordance with the first part of this series of articles [Tsivintzelis et al. 430 (2016) 75–92], since the binary parameters were optimized solely using experimental data for binary mixtures, CPA results for the ternary and multicomponent mixtures are pure predictions.

AB - The CPA EoS is applied to binary mixtures of CO2 with fatty acids and their methyl- or ethyl-esters. The model, using one temperature independent binary interaction parameter, satisfactorily describes the phase behavior of such systems. Correlations of the binary interaction parameters with the number of esters' or acids’ carbon atoms, or with the number of double bonds for compounds with the same number of carbon atoms, were developed in order to make predictions feasible in cases of lack of experimental data. Subsequently, the model was applied for predicting the phase behavior of ternary and multicomponent mixtures. The model rather satisfactorily predicts the vapor-liquid equilibrium of such systems. In accordance with the first part of this series of articles [Tsivintzelis et al. 430 (2016) 75–92], since the binary parameters were optimized solely using experimental data for binary mixtures, CPA results for the ternary and multicomponent mixtures are pure predictions.

KW - Biodiesel

KW - CPA

KW - Esters of fatty acids

KW - Fatty acids

KW - Phase equilibrium

KW - Supercritical CO2

U2 - 10.1016/j.fluid.2019.112337

DO - 10.1016/j.fluid.2019.112337

M3 - Journal article

VL - 504

JO - Fluid Phase Equilibria

JF - Fluid Phase Equilibria

SN - 0378-3812

M1 - 112337

ER -