Abstract
A thermodynamic model is a set of equations that permit the estimation of pure component and mixture properties. In order to represent chemical processes, their modifications, equipment or new designs, the selection of a thermodynamic model that represents accurately the physical properties of the substances interacting in such process is mandatory (Satyro 2008). Nonetheless, the importance of some properties depends on the goal of the simulation itself. For instance, if the objective is the sizing of heat exchange equipment, transport properties are vital, since the affect the equipment dynamic. Therefore, if there is a substantial error in the modeling of those properties, problems in the performance of the equipment can be evidenced after its sizing, because the real behavior of the apparatus differs from the simulated one (Agarwal et al. 2001a, b; Finlayson 2006).
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References
Abrams DS and Prausnitz JM (1975) Statistical Thermodynamics of Liquid Mixtures: A New Expression for the Excess Gibbs Energy of Partly or Completely Miscible Systems. AIChE Journal 21(1):116–128
Agarwal R, Li Y-K, Santollani O, Satyro MA (2001a) Uncovering the realities of simulation part I. Chem Eng Prog 97(5):42–52
Agarwal R, Li Y-K, Santollani O, Satyro MA (2001b) Uncovering the realities of simulation part II. Chem Eng Prog 97(6):64–72
Aspen Technology Inc (2006) Aspen process engineering webinar. Aspen HYSYS Property Packages
Aspen Technology Inc (2001) Aspen polymers plus 11.1. user’s guide. Aspen Technology Inc, Cambridge
Carlson EC (1996) Don’t Gamble with Physical properties for simulations. Chem Eng Prog 92:35–46
Dimian AC, Bildea C (2014) Integrated design and simulation of chemical processes. Comput Aided Chem Eng 35:201–251
Finlayson B (2006) Equations of state. In: Finlayson B (ed) Introduction to chemical engineering computing. Wiley-Interscience, New York, pp 7–29
Gomis V, Font A, Pedraza R, Saquete MD (2005) Isobaric vapor–liquid and vapor–liquid–liquid equilibrium data for the system water + ethanol + cyclohexane. Fluid Phase Equilib 235(1):7–10
Linstrom P and Mallard W (2010) NIST Chemistry WebBook, NIST Standard Reference Database Number 69
Meyer R. Metzger J (1966) C. R. Acad. Sci. Paris, Ser. C, 263:1333
Orbey H, Stanley S (1998) Modeling vapor-liquid equilibria: cubic equations of state and their mixing rules, 1st edn. Cambridge University Press, Cambridge
Perry RH (1992) Perry’s chemical engineers’ handbook. McGraw-Hill, New York
Renon H and Prausnitz JM (1968) Local composition in thermodynamic excessfunctions for liquid mixtures. AIChE Journal 14:135–44
Sada E, Morisue T, Miyahara K (1975) Salt effects on vapor-liquid equilibrium of tetrahydrofuran-water system. J Chem Eng Data 20(3):283–287
Satyro MA (2008) Thermodynamics and the simulation engineer. Chem Prod Process Model 3(1):1–41
Soulie MA, Goursot P, Peneloux A, Metzger J (1969) Proprietes Thermochimiques du Thiazole. J. Chim. Phys. Phys. Chim. Biol. 66:603–610
Soujanya J, Satyavathi B, Vittal Prasad TE (2010) Experimental (vapour + liquid) equilibrium data of (methanol + water), (water + glycerol) and (methanol + glycerol) systems at atmospheric and sub-atmospheric pressures. J Chem Thermodyn 42(5):621–624
Weast RC and Grasselli JG, ed(s). (1989) CRC Handbook of Data on Organic Compounds, 2nd Editon, CRC Press, Inc., Boca Raton, FL, 1
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Chaves, I.D.G., López, J.R.G., Zapata, J.L.G., Robayo, A.L., Niño, G.R. (2016). Thermodynamic and Property Models. In: Process Analysis and Simulation in Chemical Engineering. Springer, Cham. https://doi.org/10.1007/978-3-319-14812-0_2
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DOI: https://doi.org/10.1007/978-3-319-14812-0_2
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