Predicting the temperature/pressure dependent density of biodieselfuels
Abstract
The purpose of this work was to develop a method for predicting temperature/pressure dependent density of biodiesel based on fatty acid ester composition. The PC-SAFT equation of state combined with a modified group contribution method was used to calculate density of mixtures of fatty acid esters. Prediction errors at atmospheric pressure were less than 0.5% for 10 multi-component mixtures of fatty acid ethyl esters. Compared with experimentally measured density at 0.1 - 45MPa, the predicted densities of soybean, rapeseed, palm, mixture of soybean and rapeseed, mixture of palm and rapeseed, mixture of soybean and palm, mixture of soybean and rapeseed and palm,sunflower biodiesel were all within 1%.
References
2. L.T.Thanh, K.Okitsu, LV.Boi and Y.Maeda. Catalytic technologies for biodiesel fuel production and utilization of glycerol areview. Catalysts. 2012; 2(1): p. 191 - 222.
3. A.Ramadhas, SJayaraj and C.Muraleedharan. Use of vegetable oils as IC engine fuels a review. Renewable Energy. 2004; 29(5): p. 727 - 742.
4. SJaichandar and K.Annamalai. The status of biodiesel as an alternative fuel for diesel engine an overview. Journal of Sustainable Energy & Environment. 2011; 2: p. 71-75.
5. Y.C.Su, Y.A.Liu, C.A.Diaz Tovar and R.Gani. Selection of prediction methods for thermophysical properties for process modeling and product design of biodiesel manufacturing. Industrial & Engineering Chemistry Research. 2011; 50(11): p. 6809 - 6836.
6. LF.Gutiérrez, Ó.J.Sánchez and C.A.Cardona. Process integration possibilities for biodiesel production from palm oil using ethanol obtained from lignocellulosic residues of oil palm industry. Bioresource Technology. 2009; 100(3): p. 1227 - 1237.
7. F.l.Gomez-Castro, V.Rico-Ramirez, J.G.Segovia-Hernandez and S.Hernandez. Feasibility study of a thermally coupled reactive distillation process for biodiesel production. Chemical Engineering and Processing: Process Intensification. 2010; 49(3): p. 262 - 269.
8. A.Apostolakou, I.Kookos, C.Marazioti and K.Angelopoulos. Techno-economic analysis of a biodiesel production process from vegetable oils. Fuel Processing Technology. 2009; 90(7): p. 1023 - 1031.
9. British Standards Institution (BSI). BS EN 14274 automotive fuels - Fatty acid methyl esters (FAME) for diesel engines - requirements and test methods. BSI: London, U.K. 2009.
10. American society for testing and materials (ASTM). ASTM D6751-09. Standard specification for biodiesel fuel blend stock (B100) for middle distillate fuels. ASTM: West Conshohocken, PA, 2009.
11. Nhiên liệu diesel sinh học gốc (B100). Yêu cầu kỹ thuật (Biodiesel fuel blend stock (B100) TCVN 7717:2007. 2007; (2718/QD-BKHCN): p. 1 - 16.
12. R.Payri, F.Salvador, J.Gimeno and G.Bracho. The effect of temperature and pressure on thermodynamic properties of diesel and biodiesel fuels. Fuel. 2011; 90(3): p.1172 - 1180.
13. D.Tziourtzioumis and A.Stamatelos. Effects of a 70% biodiesel blend on the fuel injection system operation during steady-state and transient performance ofa common rail diesel engine. Energy Conversion and Management. 2012.
14. F.Boudy and PSeers. Impact of physical properties of biodiesel on the injection process in a common-rail direct injection system. Energy Conversion and Management. 2009; 50(12): p. 2905 - 2912.
15. H.Veny, S.Baroutian, M.K.Aroua, M.Hasan, A.A.Raman and N.M.N.Sulaiman. Density of Jatropha curcas seed oil and its methyl esters: measurement and estimations. International Journal of Thermophysics. 2009; 30(2): p. 529 - 541.
16. M.Dzida and P.Prusakiewicz. The effect of temperature and pressure on the physicochemical properties of petroleum diesel oil and biodiesel fuel. Fuel. 2008; 87(10 - 11): p. 1941 - 1948.
17. M.M.Budeanu, S.Radu and V.Dumitrescu. Comparing some models for predicting the density of liquid mixtures. Rev. Chim. 2010; 61: p. 322 - 328.
18. K.Anand, A.Ranjan and P.S.Mehta. Predicting the density of straight and processed vegetable oils from fatty acid composition. Energy & Fuels. 2010; 24(5): p. 3262 - 3266.
19. F.X.Feitosa, M.L.Rodrigues, C.B.Veloso, Jr.C.L.. Cavalcante, M.C.G.Albuquerque and H.B.De Sant’Ana. Viscosities and densities of binary mixtures of coconut + colza and coconut + soybean biodiesel at various temperatures. Journal of Chemical & Engineering Data. 2010; 55(9): p. 3909 - 3914.
20. M.Tat and Jan Gerpen. The specific gravity of biodiesel and its blends with diesel fuel. Journal of the American Oil Chemists’ Society. 2000; 77(2): p. 115 - 119.
21. E.Benmekki and G.Mansoorl. Pseudoization technique and heavy fraction characterization with equation of state models. Advance in Thermodynamics. 1989; 1: p. 57 - 78.
22. H.S.Elbro, A. Fredenslund and PRasmussen. Group contribution method for the prediction of liquid densities as a function of temperature for solvents, oligomers, and polymers. Ind. Eng. Chem. Res. 1991; 30(12): p. 2576 - 2582.
23. M.J.Pratas, S.Freitas, M.B.Oliveira, S.I.C.Monteiro, A.LS.Lima and J.0.A.P.Coutinho. Densities and Viscosities of minority fatty acid methyl and ethyl esters present in biodiesel. Journal of Chemical & Engineering Data. 2011; 56(5): p. 2175 - 2180.
24. J. Gross and G.Sadowski. Perturbed-Chain SAFT: An equation of state based on a perturbation theory for chain molecules. Ind. Eng. Chem. Res. 2001; 40: p. 1244 - 1260.
25. J. Gross and G.Sadowski. Application of perturbation theory to a hard-chain reference fluid: an equation of state for square-well chains. Fluid Phase Equilibria. 2000; 168: p. 183 - 199.
26. J.C.De Hemptinne, R.Lugo, Nguyen Huynh Dong and A.Barreau. Predictive models and their need in the biofuel industry. Vill lberoamerican Conference on Phase equilibria and fluid properties for process design - equifase 2009, Algarve - Praia da Rocha, Portugal, Invited oral presentation. 17 - 21 October 2009.
27. Nguyen Huynh Dong, J.P.Passarello, P.Tobaly and J.C.De Hemptinne. GC-SAFT as a predictive tool for computing VLE and LLE of systems involved in oil and gas industry. Proceedings of the 237 European Symposium on Applied Thermodynamics - 2008 (ESAT), Cannes, France, Oral presentation. 2008.
28. Nguyen Huynh Dong, M.Benamira, J.P.Passarello, P. Tobaly, and J.C.De Hemptinne. Application of GC-SAFT EOS to polycyclic aromatic hydrocarbons. Fluid Phase Equilibria. 2007; 254: p. 60 - 66.
29. J.Gross and J.Vrabec. An Equation-of-State contribution for Polar Components: Dipolar Molecules AIChE Journal. 2006; 52(3): p. 1194 - 1204.
30. P.K.Jog and W.G.Chapman. Application of Wertheim’s thermodynamic perturbation theory to dipolar hard sphere chains. Molecular Physics, 1999. 97(3): p. 307- 319.
31. C.G.Gray, and K.E. Gubbins.fheory of molecular fluids. New York: Oxford University Press. 1984.
32. Nguyen Huynh Dong, J.PPassarello, PTobaly and J.C.De Hemptinne. Application of GC-SAFT EOS to polar systems using a segment approach Fluid Phase Equilibria. 2008; 264: p. 62 - 75.
33. C.H.Twu and K.E.Gubbins. Thermodynamics of polyatomic fluid mixtures-il: Polar, quadrupolar and octopolar molecules. Chemical Engineering Science. 1978; 33(7): p. 879 - 887.
34. S.G.Sauer and W.G. Chapman. A parametric study of dipolar chain theory with applications to ketone mixtures. Ind. Eng. Chem. Res. 2003; 42: p. 5687 - 5696.
35. M.Mourah, Nguyen Huynh Dong, J.P.Passarello, J.C.De Hemptinne and PTobaly. Modeling LLE & VLE of methanol + n-alkane series using GC-PC-SAFT with a group contribution kij. Fluid Phase Equilibria, 2010. 298: р. 154 -168.
36. A.Dominik, W.G.Chapman, M.Kleiner and GSadowski. Modeling of polar systems with the perturbed- chain SAFT equation of state. Investigation of the performance of two polar terms. Ind. Eng. Chem. Res. 2005; 44: p. 6928 - 6938.
37. N.M.AbSaifi, E.Z.Hamad and PEnglezos. Prediction of vapor-liquid equilibrium in water-alcohol-hydrocarbon systems with the dipolar perturbed-chain SAFT equation of state Fluid Phase Equilibria. 2008; 271(1 - 2): p. 82 - 93.
38. S.Tamouza, J.P.Passarello, P.Tobaly and J.C.De Hemptinne. Group contribution method with SAFT EOS applied to vapor liquid equilibria of various hydrocarbon series. Fluid Phase Equilibria 2004. 222 -223: p.67 - 76.
39. Nguyen Huynh Dong et al. Ind. Eng. Chem. Res. In preparation. 2012.
40. Nguyen Huynh Dong, A.Falaix, J.P.Passarello, P.Tobaly and J.C.De Hemptinne. Predicting VLE of heavy esters and their mixtures using GC-SAFT. Fluid Phase Equilibria. 2008; 264: p. 184 - 200.
41. S.P.Singh and D.Singh. Biodiesel production through the use of different sources and characterization of oils and their esters as the substitute of diesel: A review. Renewable and Sustainable Energy Reviews.2010;14(1):p.200- 216.
42. Nguyen Thi Thanh Xuan, S.Tamouza, PTobaly, J.P.Passarello and J.C.De Hemptinne. Application of group contribution SAFT equation of state (GC-SAFT) to model phase behaviour of light and heavy esters. Fluid Phase Equilibria. 2005; 238: p. 254 - 267.
43. A.Tihic, G.M.Kontogeorgis, N.Von Solms, M.L.Michelsen, and L.Constantinou. A predictive Group- Contribution simplified PC-SAFT equation of state: Application to polymer systems.Ind.Eng.Chem. Res. 2008.
44. M.J.Pratas, M.B.Oliveira, M.J.Pastoriza-Gallego, A.J.Queimada, and J.A.P.Coutinho. High-Pressure biodiesel density: Experimental measurements, correlation, and Cubic-Plus-Association equation of state (CPA FoS) modeling. Energy & Fuels. 2011; 25: p. 3806 - 3814.
45. T.A.Scott, D.Macmillan, and E.H.Melvin. Vapor pressures and distillation of methyl esters of some fatty acids. Industrial & Engineering Chemistry. 1952; 44(1): p. 172 -175.
46. A. Rose and W.R. Supina. Vapor pressure and vapor-liquid equilibrium data for methyl esters of the common saturated normal fatty acids. Journal of Chemical & Engineering Data. 1961. 6(2): p. 173 - 179.
47. A.C.G.Van Genderen, J.C.Van Miltenburg, J.G.Blok, MJ.Van Bommel, PJ.Van Ekeren, GJ.K.Van Den Berg, and H.A.J.Oonk. Liquid-vapour equilibria of the methyl esters of alkanoic acids: vapour pressures as a function of temperature and standard thermodynamic function changes. Fluid Phase Equilibria. 2002; 202: p. 109 - 120.
48. M.J.Pratas, S.Freitas, M.B.Oliveira, S.C.Monteiro, A.S.Lima, and J.A.P.Coutinho. Densities and viscosities of fatty acid methyl and ethyl esters. J. Chem. Eng. Data. 2010; 55: p. 3983 - 3990.
49. M.J.Pratas, S.V.D.Freitas, M.B.Oliveira, S.LC.Monteiro, A.IL.S.Lima, and J.0.A.P.Coutinho. Biodiesel density: experimental measurements and prediction models. Energy & Fuels. 2011; 25(5): p. 2333 - 2340.
50. DIPPR, Design Institute for Physical Property Data, Thermophysical Properties Database. 2002.
51. L.F.Ramirez-Verduzco, B.E.Garcia-Flores, J.E.Rodriguez-Rodriguez, and A.Del Rayo Jaramillo-Jacob. Prediction of the density and viscosity in biodiesel blends at various temperatures. Fuel. 2011; 90(5): p. 1751-1761.
52. S.Baroutian, M.K.Aroua, A.A.A.Raman, and N.M.N.Sulaiman. Density of palm oil-based methyl ester. Journal of Chemical & Engineering Data. 2008; 53(3): p.877 - 880.
53. M.L.Huber, EW.Lemmon, A.Kazakov, L.S.Ott, and T.J.Bruno. Model for the thermodynamic properties of a biodiesel fuel. Energy & Fuels. 2009; 23(7): p. 3790 - 3797.
54. PBenjumea, J.Agudelo, and A.Agudelo. Basic properties of palm oil biodiesel-diesel blends. Fuel. 2008; 87(10 - 11): p. 2069 - 2075.
55. W.A.Burgess, D.Tapriyal, B.D.Morreale, Y.Wu, M.A.McHugh, H.Baled, and R.M.Enick. Prediction of fluid density at extreme conditions using the perturbed-chain SAFT equation correlated to high temperature, high pressure density data. Fluid Phase Equilibria. 2012; 319: p. 55 - 66.
56. Nguyen Huynh Dong, J.P.Passarello, P.Tobaly, and J.c.De Hemptinne. Modeling phase equilibria of asymmetric mixtures using a group contribution SAFT (GC-SAFT) with a kij correlation method based on London's theory. Part 1: application to CO2, + n-alkane, methane + n-alkane and ethane + n-alkane systems. Ind. Eng. Chem. Res. 2008; 47(22): p. 8847 - 8858.

1. The Author assigns all copyright in and to the article (the Work) to the Petrovietnam Journal, including the right to publish, republish, transmit, sell and distribute the Work in whole or in part in electronic and print editions of the Journal, in all media of expression now known or later developed.
2. By this assignment of copyright to the Petrovietnam Journal, reproduction, posting, transmission, distribution or other use of the Work in whole or in part in any medium by the Author requires a full citation to the Journal, suitable in form and content as follows: title of article, authors’ names, journal title, volume, issue, year, copyright owner as specified in the Journal, DOI number. Links to the final article published on the website of the Journal are encouraged.