Calculation of thermophysical properties of oils and triacylglycerols using an extended constituent fragments approach

  • Diana-Carolina Cruz-Forero Universidad Industrial de Santander, Bucaramanga, Colombia
  • Oscar-Andrés González-Ruiz Universidad Industrial de Santander, Bucaramanga, Colombia
  • Luis-Javier López-Giraldo Universidad Industrial de Santander, Bucaramanga, Colombia
Keywords: Vegetable oils, Triglycerides, Prediction, Thermodynamic properties, Calorific capacity, Boling temperature, Simulation, Software

Abstract

This paper validates and implements an Extended Constituent Fragments methodology (ECF) for the calculation of thermophysical properties of vegetable oils considering the latter as triglyceride (TAG's) mixtures, both homogeneous and heterogeneous. For this purpose, three different vegetables oils were chosen (soybean oil, canola and olive) and their TAG's profiles were estimated using the ECN 42 generalized method. The ECF methodology estimates the properties of TAG's from their fragment composition and specific parameters of each property, which are adjusted using experimental information available in literature.

The average relative errors of calculated properties were between 1 and 32% depending on the oil and the property. These errors were significantly lower than those obtained using the Aspen HYSYS commercial software, which oscillates between 70 and 100%. Additionally, by extrapolating the constituent fragments methodology a method for calculating boiling temperatures of TAG's with average relative errors of ~1% was proposed. The calculations of properties for the ECF method were performed using the OIL-CALPROP software developed specifically for this purpose.

References

Anitescu, G. & Bruno, T. (2012). Fluid properties needed in supercritical transesterification of triglyceride feedstocks to biodiesel fuels for efficient and clean combustion – A review. J. of Supercritical Fluids, 63: 133-149.

Ceriani, R., Gonçalves, C. B., Rabelo, J., Caruso, M., Cunha, A. C. C., Cavaleri, F. W., Batista, E. A. C. & Meirelles A. J. A. (2007). Group contribution model for predicting viscosity of fatty compounds. J. Chem. Eng. Data, 52(3), 965–972.

Chisti, Y. (2007). Biodiesel from microalgae. Biotechnol. Adv., 25(3), 294-306.

Cunha, S. & Oliveira, M. B. P. P. (2006). Discrimination of vegetable oils by triacylglycerols evaluation of profile using HPLC/ELSD. Food Chem., 95(3), 518–524.

Díaz-Tovar, C., Gani, R. & Sarup, B. (2011). Lipid technology: Property prediction and process design/analysis in the edible oil and biodiesel industries. Fluid Phase Equilibria, 302(1–2), 284–293.

Goodrum, J. W. & Geller, D. P. (2002). Rapid thermogravimetric measurements of boiling points and vapor pressure of saturated medium-and long-chain triglycerides. Bioresource Technol., 84(1), 75-80.

Gunstone, F. (2004). The chemistry of oils and fats sources, composition, properties and uses. Australia: Blackwell Pusblishing.

Lee, S., Posarac, D. & Ellis, N. (2011). Process simulation and economic analysis of biodiesel production processes using fresh and waste vegetable oil and supercritical methanol. Chem. Eng. Research and Design, 89(12), 2626–2642.

Martinho, A., Matos, H., Gani, R., Sarup, B. & Youngreenc, W. (2008). Modelling and simulation of vegetable oil processes. Food Bioprod. Process., 86(2), 87-95.

Ministerio de Agricultura y Desarrollo Rural. (2010). Empresarización de actividades agropecuarias. Bogota,
Colombia.

Morad, N. A., Mustafa, A., Panau, F. & Yew, T. W. (2000). Liquid specific heat capacity estimation for fatty acids, triacylglycerols, and vegetable oils based on their fatty acid composition. J. Am. Oil Chem. Soc., 77(9), 1001-1005.

Niir, B. (2002). Modern technology of oils, fats and its derivatives. New Delhi: Asia Pacific Business Press Inc.

Noureddini, H., Teoh, B. & Clements, L. D. (1992a). Densities of vegetable oils and fatty acids. J. Am. Oil Chem. Soc., 69(12), 1184-1188.

Noureddini, H., Teoh, B. & Clements, L. D. (1992b).Viscosities of vegetable oils and fatty acids. J. Am. Oil Chem. Soc.,69(12), 1189-1191.

Panreac Química S.A. (1999). Métodos analíticos en alimentaria ácidos y grasas. Barcelona: Centre Telemamactic Editorial.

Park, Y., Chang, P. & Lee, J. (2010). Application of triacylglycerol and fatty acid analyses to discriminate blended sesame oil with soybean oil. Food Chem., 123(2), 377–383.

Perry, E., Webwe, W. & Daubert, B. (1949). Vapor pressures of phlegmatic liquids. I. Simple and mixed triglycerides. J. Am.Chem. Soc., 71(11), 3720-3726.

Phillips, J. C. & Mattamal, G. J. (1978). Effect of number of carboxyl groups on liquid density of esters of alkylcarboxylic acids. J. Chem. Eng. Data, 23(1), 1-6.

Rodríguez, M., Galan, M., Muñoz, M. & Martin, R. (1994). Viscosity of triglycerides + alcohols from 278 to 313 K. J. Chem. Eng. Data, 39(1), 102-105.

Santana, G., Martins, P., de Lima, N., Batistella, C., Maciel, R. & Wolf, M. M. (2010). Simulation and cost estimate for biodiesel production using castor oil. Chem. Eng. Res. Des., 88(5), 626–632.

Santori, G., di Nicola, G., Moglie, M. & Polonara, F. (2012). A review analyzing the industrial biodiesel production practice starting from vegetable oil refining. Applied Energy, 92: 109–132.

United States Energy Information Administration. (2011). IndexMundi, world biodiesel consumption by year.
United States of America.

West, A. H., Posarac, D. & Ellis, N. (2008). Assessment of four biodiesel production processes using HYSYS ®. Plant. Bioresource Technology, 99(14), 6587–6601.

Zong, L., Ramanathan, S. & Chen, C. (2010a). Fragmentbased approach for estimating thermophysical propierties of fats and vegetable oils for modeling biodiesel production processes. Ind. Eng. Chem. Res., 49(2),
876-886.

Zong, L., Ramanathan, S. & Chen, C. (2010b). Predicting Thermophysical Properties of Mono and Diglycerides with the Chemical Constituent Fragment Approach. Ind. Eng. Chem. Res., 49(11), 5479–5484.
How to Cite
Cruz-Forero, D.-C., González-Ruiz, O.-A., & López-Giraldo, L.-J. (2012). Calculation of thermophysical properties of oils and triacylglycerols using an extended constituent fragments approach. CT&F - Ciencia, Tecnología Y Futuro, 5(1), 67-82. https://doi.org/10.29047/01225383.212

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Published
2012-11-30
Section
Scientific and Technological Research Articles