Gani, Rafiqul

Kalakul, Sawitree

Perederic, Olivia Ana

Sarup, Bent

Woodley, John M.

The oleochemical industry cover mainly the food and pharmaceutical reactions but production offuels (biodiesel) and other speciality chemical production processes also handle oleochemicals (inother words, lipids). The core of process synthesis and design depend on availability of properties data and/or reliable thermodynamic models for the chemicals involved. Limited availability ofconsistent physical and thermodynamic properties of lipids compounds and their mixtures lead to difficulties with the use of process simulators for process synthesis and design, since all themodels to be used require apriori estimated parameters from experimental data

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Downloaded from orbit.dtu.dk on: Apr 10, 2018Thermodynamic Property Needs for the Oleochemical IndustryAna Perederic, Olivia; Kalakul, Sawitree; Sarup, Bent; Woodley, John; Gani, RafiqulPublication date:2016Document VersionPublisher's PDF, also known as Version of recordLink back to DTU OrbitCitation (APA):Ana Perederic, O., Kalakul, S., Sarup, B., Woodley, J. M., & Gani, R. (2016). Thermodynamic Property Needsfor the Oleochemical Industry. Abstract from 2016 AIChE Annual Meeting, San Francisco, CA, United States.11/30/2016 Abstract: Thermodynamic Property Needs for the Oleochemical Industry (2016 Annual Meeting)https://aiche.confex.com/aiche/2016/webprogram/Paper469258.html 1/2StartAt­A­GlanceBrowse by DayBrowse by TopicsAuthor IndexKeyword IndexPersonal SchedulerAnnual MeetingWebpage469258  Thermodynamic Property Needs for the Oleochemical IndustrySunday, November 13, 2016: 4:55 PMContinental 3 (Hilton San Francisco Union Square)Olivia Ana Perederic1, Sawitree Kalakul1, Bent Sarup2, John M. Woodley1 and Rafiqul Gani1,(1)Department of Chemical and Biochemical Engineering, Technical University of Denmark, DK­2800 Lyngby, Denmark, (2)Vegetable Oil Technology Business Unit, Alfa Laval Copenhagen A/S,Søborg, DenmarkThe oleochemical industry cover mainly the food and pharmaceutical reactions but production offuels (biodiesel) and other speciality chemical production processes also handle oleochemicals (inother words, lipids). The core of process synthesis and design depend on availability of propertiesdata and/or reliable thermodynamic models for the chemicals involved. Limited availability ofconsistent physical and thermodynamic properties of lipids compounds and their mixtures lead todifficulties with the use of process simulators for process synthesis and design, since all themodels to be used require apriori estimated parameters from experimental data.Lipids applications such as bio­diesel, edible applications, and production of other importantchemical compounds from the fatty acids include a series of processes such as: fat splitting,esterification, epoxidation, hydrogenation, amidation, sulfonation, ethoxilation, etc [1]. Each ofthese processes involves several types of unit operations. The lipids hydrolysis process (highpressure, high temperature conditions – Colgate Emery) [2], which is an old process, still appliedworldwide nowadays, involves several phase equilibria: first a liquid­liquid equilibrium is involvedfor the fat splitting column where the main components are: unreacted triglycerides, fatty acids,glycerol and water. Further, the process consist in separating the two liquid phases (fatty acids­water, and glycerol­water) by distillation. This involves the vapour­liquid equilibria of the mixturespecies (fatty acids­water, glycerol­water). Further, if separation of fatty acids mixture into highpurity individual components is considered, several methods can be applied: fractionaldistillation/steam stripping within vacuum condition [3] or fractional crystallization with or withoutusing a solvent [1]. For this process/separations several phase equilibria are involved: VLEequilibria of fatty acids and water, if we are talking about steam stripping, and several SLEequilibria (fatty acid­fatty acid, or fatty acid­solved), in the case of fractional crystallization. Inorder to be able to design these type of processes, involving different types of phase equilibria,one need to have knowledge about and to be able to predict the behaviour of these type ofsystems.A database and a properties library have been developed for chemical product and processdesign. The database includes 45500 compounds, and according to the compound type (e.g.:normal fluids, polar non­associating compounds, multifunctional group compounds, polymers,electrolytes, etc) different properties are given according to group contribution approach forprimary properties (e.g.: acentric factor, critical properties, triple point temperature and pressure,normal boiling point, liquid volume, ideal gas enthalpy, ideal gas Gibbs energy, ideal gas entropy,solubility parameters, van der Waals surface area and volume, dipole moment, etc.), temperaturedependent properties (solid density, liquid density, vapour pressure, heat of vaporization, solidheat capacity, liquid and vapour viscosity, liquid and vapour thermal conductivity, etc.), andmixture properties (e.g.: binary and ternary data for VLE, LLE and SLE, infinite dilution activitycoefficients, enthalpies of mixing, etc.).For this, available property and thermodynamic models needs to be fine­tuned for this type ofcompounds. Regarding the use of models for mixtures properties, such as phase equilibria,available binary interactions parameters for predictive models are not sufficiently good to describethem. New parameters for UNIFAC original model have been calculated for lipids compounds. In11/30/2016 Abstract: Thermodynamic Property Needs for the Oleochemical Industry (2016 Annual Meeting)https://aiche.confex.com/aiche/2016/webprogram/Paper469258.html 2/2Follow Us LinkedIn Twitter Facebook YouTube Flickr Slide Sharethem. New parameters for UNIFAC original model have been calculated for lipids compounds. Inorder to be able to use all this data and models for process design and simulation, developmentof a lipids database is required. Our developed lipids database, SPEED LIPIDS Database,together with our chemicals database, includes all this options: one part of the database isdedicated to the pure compounds and it includes: 330 pure compounds and 27 models todescribe the pure compound properties (e.g.: single values properties – critical properties, heat offormation; temperature dependent properties: vapour pressure, liquid heat capacity, liquiddensity, liquid viscosity, and surface tension, etc.). Safe extrapolation of pure compoundproperties is enabled. The other part of the database is dedicated to phase equilibria for themixtures and it is composed from 4500 measure data points for 332 different phase equilibriumdata­sets (92 VLE, 91 LLE, 70 SLE and 79 solubility data). For all the available VLE and SLE datasets, consistency tests are performed. It is seen that many mixture data published related to lipidsdo not pass these tests: only 3% of the data sets have quality factors over 0.5 (where the qualityfactor varies between 0 – minimum, and 1 – maximum) [4].The database has the following features: property data consistency test; optimization based dataregression to estimate the model parameters; knowledge representation and search engine fordatabase use knowledge representation and search engine for database; computer aidedmodelling tool to quickly and efficiently develop the necessary property prediction models; andability to integrated with process simulation tools. The application of the developed propertiesmodels will be illustrated through case studies involving different lipid compound processingsteps. It allows a better and easier utilization of available thermodynamic models.References[1] Shahidi F., Ed., Bailey ’ S Industrial Oil and Fat, 6th ed. New Jersey, USA: John Wiley & Sons,Inc., 2005.[2] Barnebey H. L., Brown A. C., “Continuous Fat Splitting Plants Using the Colgate­EmeryProcess,” Journal of the American Oil Chemists' Society, 1948, 25(3), 95–99.[3] Berger R., McPherson W., “Fractional distillation,” Journal of the American Oil Chemists'Society, 1979, 56(11), 743A–744A.[4] Cunico L. P., Ceriani R., Sarup B., O’Connell J. P., Gani R., “Data, analysis and modeling ofphysical properties for process design of systems involving lipids,” Fluid Phase Equilibria, 2014,362, 318­327.Extended Abstract: File Not UploadedSee more of this Session: Thermodynamics Needs of the Chemical IndustrySee more of this Group/Topical: Engineering Sciences and FundamentalsAbout 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Thermodynamic Property Needs for the Oleochemical Industry

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Thermodynamic Property Needs for the Oleochemical Industry

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