Bubble Point Pressures of CO2+Ethyl Palmitate by a Cubic Equation of State and the Wong-Sandler Mixing Rule
This study presents three different approaches to
estimate bubble point pressures for the binary system of CO2 and
ethyl palmitate fatty acid ethyl ester. The first method involves the
Peng-Robinson (PR) Equation of State (EoS) with the conventional
mixing rule of Van der Waals. The second approach involves the PR
EOS together with the Wong Sandler (WS) mixing rule, coupled with
the UNIQUAC GE model. In order to model the bubble point
pressures with this approach, the volume and area parameter for ethyl
palmitate were estimated by the Hansen group contribution method.
The last method involved the Peng-Robinson, combined with the
Wong-Sandler method, but using NRTL as the GE model. Results
using the Van der Waals mixing rule clearly indicated that this
method has the largest errors among all three methods, with errors in
the range of 3.96-6.22%. The PR-WS-UNIQUAC method exhibited
small errors, with average absolute deviations between 0.95 to 1.97
percent. The PR-WS-NRTL method led to the least errors, where
average absolute deviations ranged between 0.65-1.7%.
[1] Sharma, Y.C., B. Singh, and S.N. Upadhyay, Advancements in
development and characterization of biodiesel: A review. Fuel, 2008.
87(12): p. 2355-2373.
[2] Halim, R., M.K. Danquah, and P.A. Webley, Extraction of oil from
microalgae for biodiesel production: A review. Biotechnol Adv, 2012.
30(3): p. 709-32.
[3] Williams, P.J.l.B. and L.M.L. Laurens, Microalgae as biodiesel &
biomass feedstocks: Review & analysis of the biochemistry, energetics &
economics. Energy & Environmental Science, 2010. 3(5): p. 554.
[4] Saxena, P., S. Jawale, and M.H. Joshipura, A Review on Prediction of
Properties of Biodiesel and Blends of Biodiesel. Procedia Engineering,
2013. 51: p. 395-402.
[5] Talebian-Kiakalaieh, A., N.A.S. Amin, and H. Mazaheri, A review on
novel processes of biodiesel production from waste cooking oil. Applied
Energy, 2013. 104: p. 683-710.
[6] Rustan, A.C. and C.A. Drevon, Fatty Acids: Structures and Properties.
2005.
[7] Anitescu, G. and T.J. Bruno, Fluid properties needed in supercritical
transesterification of triglyceride feedstocks to biodiesel fuels for
efficient and clean combustion – A review. The Journal of Supercritical
Fluids, 2012. 63: p. 133-149.
[8] Hoekman, S.K., et al., Review of biodiesel composition, properties, and
specifications. Renewable and Sustainable Energy Reviews, 2012.
16(1): p. 143-169.
[9] Nasir, N.F., et al., Process system engineering in biodiesel production: A
review. Renewable and Sustainable Energy Reviews, 2013. 22: p. 631-
639.
[10] Pinto, L.F., et al., Phase equilibrium data and thermodynamic modeling
of the system (CO2+biodiesel+methanol) at high pressures. The Journal
of Chemical Thermodynamics, 2012. 44(1): p. 57-65.
[11] Gaschi, P.S., et al., Phase equilibrium measurements and
thermodynamic modelling for the system (CO2+ethyl
palmitate+ethanol) at high pressures. The Journal of Chemical
Thermodynamics, 2013. 57: p. 14-21.
[12] Kontogeorgis, G. and G. Folas, Thermodynamic Models for Industrial
Applications From Classical and Advanced Mixing Rules to Association
Theories 2010.
[13] Santiago, R.S., G.R. Santos, and M. Aznar, UNIQUAC correlation of
liquid–liquid equilibrium in systems involving ionic liquids: The DFT–
PCM approach. Fluid Phase Equilibria, 2009. 278(1-2): p. 54-61.
[14] Follegatti-Romero, L.A., et al., Liquid–liquid equilibria for ethyl
esters+ethanol+water systems: Experimental measurements and CPA
EoS modeling. Fuel, 2012. 96: p. 327-334.
[15] Oliveira, M.B., et al., Modeling Phase Equilibria Relevant to Biodiesel
Production: A Comparison ofgEModels, Cubic EoS, EoS−gEand
Association EoS. Industrial & Engineering Chemistry Research, 2011.
50(4): p. 2348-2358.
[16] Basso, R.C., et al., LLE experimental data, thermodynamic modeling
and sensitivity analysis in the ethyl biodiesel from macauba pulp oil
settling step. Bioresour Technol, 2013. 131: p. 468-75.
[17] Coutsikos, P., N.S. Kalospiros, and D.P. Tassios, Capabilities and
limitations of the Wong-Sandler mixing rules. Fluid Phase Equilibria,
1995. 108(1–2): p. 59-78.
[18] Bruce E. Poling, John M. Prausnitz, and J.P. OConnell, The Properties
of Gases and Liquids, Fifth Edition. 2001.
[1] Sharma, Y.C., B. Singh, and S.N. Upadhyay, Advancements in
development and characterization of biodiesel: A review. Fuel, 2008.
87(12): p. 2355-2373.
[2] Halim, R., M.K. Danquah, and P.A. Webley, Extraction of oil from
microalgae for biodiesel production: A review. Biotechnol Adv, 2012.
30(3): p. 709-32.
[3] Williams, P.J.l.B. and L.M.L. Laurens, Microalgae as biodiesel &
biomass feedstocks: Review & analysis of the biochemistry, energetics &
economics. Energy & Environmental Science, 2010. 3(5): p. 554.
[4] Saxena, P., S. Jawale, and M.H. Joshipura, A Review on Prediction of
Properties of Biodiesel and Blends of Biodiesel. Procedia Engineering,
2013. 51: p. 395-402.
[5] Talebian-Kiakalaieh, A., N.A.S. Amin, and H. Mazaheri, A review on
novel processes of biodiesel production from waste cooking oil. Applied
Energy, 2013. 104: p. 683-710.
[6] Rustan, A.C. and C.A. Drevon, Fatty Acids: Structures and Properties.
2005.
[7] Anitescu, G. and T.J. Bruno, Fluid properties needed in supercritical
transesterification of triglyceride feedstocks to biodiesel fuels for
efficient and clean combustion – A review. The Journal of Supercritical
Fluids, 2012. 63: p. 133-149.
[8] Hoekman, S.K., et al., Review of biodiesel composition, properties, and
specifications. Renewable and Sustainable Energy Reviews, 2012.
16(1): p. 143-169.
[9] Nasir, N.F., et al., Process system engineering in biodiesel production: A
review. Renewable and Sustainable Energy Reviews, 2013. 22: p. 631-
639.
[10] Pinto, L.F., et al., Phase equilibrium data and thermodynamic modeling
of the system (CO2+biodiesel+methanol) at high pressures. The Journal
of Chemical Thermodynamics, 2012. 44(1): p. 57-65.
[11] Gaschi, P.S., et al., Phase equilibrium measurements and
thermodynamic modelling for the system (CO2+ethyl
palmitate+ethanol) at high pressures. The Journal of Chemical
Thermodynamics, 2013. 57: p. 14-21.
[12] Kontogeorgis, G. and G. Folas, Thermodynamic Models for Industrial
Applications From Classical and Advanced Mixing Rules to Association
Theories 2010.
[13] Santiago, R.S., G.R. Santos, and M. Aznar, UNIQUAC correlation of
liquid–liquid equilibrium in systems involving ionic liquids: The DFT–
PCM approach. Fluid Phase Equilibria, 2009. 278(1-2): p. 54-61.
[14] Follegatti-Romero, L.A., et al., Liquid–liquid equilibria for ethyl
esters+ethanol+water systems: Experimental measurements and CPA
EoS modeling. Fuel, 2012. 96: p. 327-334.
[15] Oliveira, M.B., et al., Modeling Phase Equilibria Relevant to Biodiesel
Production: A Comparison ofgEModels, Cubic EoS, EoS−gEand
Association EoS. Industrial & Engineering Chemistry Research, 2011.
50(4): p. 2348-2358.
[16] Basso, R.C., et al., LLE experimental data, thermodynamic modeling
and sensitivity analysis in the ethyl biodiesel from macauba pulp oil
settling step. Bioresour Technol, 2013. 131: p. 468-75.
[17] Coutsikos, P., N.S. Kalospiros, and D.P. Tassios, Capabilities and
limitations of the Wong-Sandler mixing rules. Fluid Phase Equilibria,
1995. 108(1–2): p. 59-78.
[18] Bruce E. Poling, John M. Prausnitz, and J.P. OConnell, The Properties
of Gases and Liquids, Fifth Edition. 2001.
@article{"International Journal of Chemical, Materials and Biomolecular Sciences:70768", author = "M. A. Sedghamiz and S. Raeissi", title = "Bubble Point Pressures of CO2+Ethyl Palmitate by a Cubic Equation of State and the Wong-Sandler Mixing Rule", abstract = "This study presents three different approaches to
estimate bubble point pressures for the binary system of CO2 and
ethyl palmitate fatty acid ethyl ester. The first method involves the
Peng-Robinson (PR) Equation of State (EoS) with the conventional
mixing rule of Van der Waals. The second approach involves the PR
EOS together with the Wong Sandler (WS) mixing rule, coupled with
the UNIQUAC GE model. In order to model the bubble point
pressures with this approach, the volume and area parameter for ethyl
palmitate were estimated by the Hansen group contribution method.
The last method involved the Peng-Robinson, combined with the
Wong-Sandler method, but using NRTL as the GE model. Results
using the Van der Waals mixing rule clearly indicated that this
method has the largest errors among all three methods, with errors in
the range of 3.96-6.22%. The PR-WS-UNIQUAC method exhibited
small errors, with average absolute deviations between 0.95 to 1.97
percent. The PR-WS-NRTL method led to the least errors, where
average absolute deviations ranged between 0.65-1.7%.
", keywords = "Bubble pressure, Gibbs excess energy model, mixing
rule, CO2 solubility, ethyl palmitate.", volume = "8", number = "2", pages = "187-5", }
