dc.creatorCheconi R.F.
dc.creatorRavagnani S.P.
dc.date2013
dc.date2015-06-25T19:18:24Z
dc.date2015-11-26T15:16:09Z
dc.date2015-06-25T19:18:24Z
dc.date2015-11-26T15:16:09Z
dc.date.accessioned2018-03-28T22:26:00Z
dc.date.available2018-03-28T22:26:00Z
dc.identifier
dc.identifierInternational Journal Of Thermodynamics. , v. 16, n. 1, p. 20 - 27, 2013.
dc.identifier13019724
dc.identifier10.5541/ijot.459
dc.identifierhttp://www.scopus.com/inward/record.url?eid=2-s2.0-84878521808&partnerID=40&md5=9099a6106dd44ba6c4d63e16b0907d2c
dc.identifierhttp://www.repositorio.unicamp.br/handle/REPOSIP/89732
dc.identifierhttp://repositorio.unicamp.br/jspui/handle/REPOSIP/89732
dc.identifier2-s2.0-84878521808
dc.identifier.urihttp://repositorioslatinoamericanos.uchile.cl/handle/2250/1259194
dc.descriptionStudies related to the development of equations of state (EOS) to represent thermophysical properties of pure compounds are considered as important tools for engineers to design and optimize industrial equipment and processes. Furthermore, these tools also contribute to amplify the researchers' knowledge related to molecular interaction types, in attempting to predict and correlate both energetic and volumetric effects existing in the compounds. From several equations of state existing, the cubic plus association (CPA) EOS are employed in the calculations of thermophysical properties of compounds, in which the molecular interactions occurring are the association type. In spite of good representation of these properties, it is possible to improve the predictive and correlative capability of the CPA EOS by substitution of terms whose physical meaning can be better. In this way, modifications of the cubic plus association equation of state are proposed: the original repulsive term is replaced by the Carnahan-Starling repulsion term; the attractive term is changed to an attraction term similar to the Peng-Robinson EOS. Furthermore, both attraction and repulsion terms are taken to be temperature dependent when alpha and beta functions are employed in calculations. All implementations make the equations of state non-cubic in relation to volume. Vapor pressure and liquid molar volumes of 1-alkanols (C1 to C10) and water were correlated to experimental data using this non-CPA-EOS format, and good agreement is observed. ©2013 International Journal of Thermodynamics.
dc.description16
dc.description1
dc.description20
dc.description27
dc.descriptionAbbot, M.M., Thirteen ways of looking at the van der waals equation (1989) Chemical Engineering Progress, (2), pp. 25-37
dc.descriptionBeaton, C.F., Ambrose, D., Brunner, E., Chase, M.W., Downey, J.R., Hobson, G., Humphreys, A.E., Walton, J., Ortobaric densities and molar volumes of liquids, alcohols, engineering sciences data unit - ESDU (1989) Eng. Sci. Data, , Item Nr. 89037
dc.descriptionBeaton, C.F., Ambrose, D., Foxcroft, H.J., Hobson, G., Jamieson, D.T., Knight, S.R., Rowell, G.M., White Jr., H.J., Vapor pressures and critical points of liquids, alcohols, engineering sciences data unit - ESDU (1989) Eng. Sci. Data, , Item Nr. 89028 Vapor Pressure Data
dc.descriptionCarnahan, N.F., Starling, K.E., Equation of state for nonattracting rigid spheres (1969) The Journal of Chemical Physics, 51, pp. 635-636
dc.descriptionCarnahan, N.F., Starling, K.E., Intermolecular repulsions and the equation of state for fluids (1972) AIChE. J, 18, pp. 1184-1189
dc.descriptionCoquelet, C., Chapoy, A., Richon, D., Development of a new alpha function for the peng-robinson equation of state: Comparative study of alpha function models for pure gases (natural gas components) and water-gas systems (2004) Int. J. Thermophys, 25, pp. 133-158
dc.descriptionDe Santis, R., Gironi, F., Marrelli, L., Vapor-liquid equilibrium from a hard-sphere equation of state (1976) Ind. Eng. Chem. Fundam, 15, pp. 183-189
dc.descriptionFuller, G.G., A modified redlich-kwong-soave equation of state capable of representing the liquid state (1976) Ind. Eng. Chem. Fundam, 15, pp. 254-257
dc.descriptionHaghtalab, A., Mahmoodi, P., Mazloumi, S.H., A modified Peng-Robinson equation of state for phase equilibrium calculation of liquefied, synthetic natural gas, and gas condensate mixtures (2011) Can. J. of Chem. Eng, 89, pp. 1376-1387
dc.descriptionHamam, S.E.M., Chung, W.K., Elshayal, I.M., Lu, B.C.Y., Generalized temperature-dependent parameters of the redlich-kwong equation of state for vapor-liquid equilibrium calculations (1977) Ind. Eng. Chem. Process Des. Dev, 16, pp. 51-59
dc.descriptionHuang, S.H., Radosz, M., Equation of state for small, large, polydisperse, and associating molecules (1990) Ind. Eng. Chem. Res, 29, pp. 2284-2294
dc.descriptionKoh, C.A., Tanaka, H., Walsh, J.M., Cubbins, K.E., Zollweg, J.A., Thermodynamic and structural properties of methanol-water mixtures: Experiment, theory and molecular simulation (1993) Fluid Phase Equilibria, 83, pp. 51-58
dc.descriptionKontogeorgis, G.M., Michelsen, M.L., Folas, G.K., Derawi, S., Von Solms, N., Stenby, E.H., Ten Years with the CPA (Cubic-Plus-Association) equation of state. Part 1. Pure compounds and self-associating systems (2006) Industrial and Engineering Chemistry Research, 45 (14), pp. 4855-4868. , DOI 10.1021/ie051305v
dc.descriptionKontogeorgis, G.M., Voutsas, E.C., Yakoumis, I.V., Tassios, D.P., An equation of state for associating fluids (1996) Industrial and Engineering Chemistry Research, 35 (11), pp. 4310-4318
dc.descriptionKontogeorgis, G.M., Yakoumis, I.V., Meijer, H., Hendriks, E., Moorwood, T., Multicomponent phase equilibrium calculations for water-methanol-alkane mixtures (1999) Fluid Phase Equilibria, 158-160, pp. 201-209. , DOI 10.1016/S0378-3812(99)00060-6, PII S0378381299000606
dc.descriptionKuester, J.L., Mize, J.H., (1973) Optimization Techniques, McGraw-Hill, , USA
dc.descriptionKutney, M.C., Dodd, V.S., Smith, K.A., Herzog, H.J., Tester, J.W., A hard-sphere volume-translated van der Waals equation of state for supercritical process modeling 1. Pure components (1997) Fluid Phase Equilibria, 128 (1-2), pp. 149-171
dc.descriptionMathias, P.M., Copeman, T.W., Extension of the peng-robinson equations of state to complex mixtures: Evaluation of the various forms of the local composition concept (1983) Fluid Phase Equilibria, 13, pp. 91-108
dc.descriptionNasrifar, Kh., Moshfeghian, M., A new cubic equation of state for simple fluids: Pure and mixture (2001) Fluid Phase Equilibria, 190 (1-2), pp. 73-88. , DOI 10.1016/S0378-3812(01)00592-1, PII S0378381201005921
dc.descriptionNath, A., Bender, E., On the thermodynamics of associated solutions. I. An analytical method for determining the enyhalpy and entropy of association and equilibrium constant for pure liquid substances (1981) Fluid Phase Equilibria, 7, pp. 275-287
dc.descriptionPalombo, F., Sassi, P., Paolantoni, M., Morresi, A., Cataliotti, R.S., Comparison of hydrogen bonding in 1-octanol and 2-octanol as probed by spectroscopic techniques (2006) Journal of Physical Chemistry B, 110 (36), pp. 18017-18025. , DOI 10.1021/jp062614h
dc.descriptionPeng, D.-Y., Robinson, D.B., A new two-constant equation of state (1976) Ind. Eng. Chem. Fundam, 15, pp. 59-64
dc.descriptionPerakis, C.A., Voutsas, E.C., Magoulas, K.G., Tassios, D.P., Thermodynamic modeling of the water + acetic acid + CO2 system: The importance of the number of association sites of water and of the nonassociation contribution for the CPA and SAFT-type models (2007) Industrial and Engineering Chemistry Research, 46 (3), pp. 932-938. , DOI 10.1021/ie0609416
dc.descriptionQueimada, A.J., Miqueu, C., Marrucho, I.M., Kontogeorgis, G.M., Coutinho, J.A.P., Modeling vapor-liquid interfaces with the gradient theory in combination with the CPA equation of state (2005) Fluid Phase Equilibria, 228-229, pp. 479-485. , DOI 10.1016/j.fluid.2004.08.011, PII S0378381204003802, Proceedings of the Tenth International Conference on Properties and Phase Equilibria for Product and Process Design
dc.descriptionRavagnani, S.P., D'Avila, S.G., VLE of polar mixtures: A new generalized correlation (1985) Proceedings of IV International Chemical Engineering Conference, CHEMPOR'85, 5, pp. 01-05. , Coimbra, Portugal
dc.descriptionRosenbrock, H.H., An automatic method for finding the greatest or least value of a function (1960) Computer Journal, 3, pp. 175-184
dc.descriptionSadus, R.J., Equations of state for fluids: The Dieterici approach revisited (2001) Journal of Chemical Physics, 115 (3), pp. 1460-1462. , DOI 10.1063/1.1380711
dc.descriptionSoave, G., Equilibrium constants from a modified Redlich-Kwong equation of state (1972) Chem. Eng. Sci, 27, pp. 1197-1203
dc.descriptionToghiani Hossein, Viswanath Dabir, S., Cubic equation of state for polar and apolar fluids (1986) Industrial & Engineering Chemistry, Process Design and Development, 25 (2), pp. 531-536
dc.descriptionTrebble, M.A., Bishnoi, P.R., Development of a new four-parameter cubic equation of state (1987) Fluid Phase Equilibria, 35, pp. 1-18
dc.descriptionVargaftik, N.B., (1975) Handbook of Physical Properties of Liquid and Gases (Pure Substances and Mixtures), , 2nd Edition, John Willey, D.C
dc.descriptionVon Solms, N., Michelsen, M.L., Passos, C.P., Derawi, S.O., Kontogeorgis, G.M., Investigating models for associating fluids using spectroscopy (2006) Industrial and Engineering Chemistry Research, 45 (15), pp. 5368-5374. , DOI 10.1021/ie051341u
dc.descriptionWei, S., Shi, Z., Castleman, A., Mixed cluster ions as a structure probe: Experimental evidence for clathrate structure of (H2O)20 H+ and (H 2O)21 H+ (1991) J. Chem. Phys, 94, pp. 3268-3270
dc.descriptionWei, Y.S., Sadus, R.J., Equations of state for the calculation of fluid-phase equilibria (2000) AIChE Journal, 46 (1), pp. 169-196
dc.descriptionWei, Y.S., Sadus, R.J., Franck, E.U., Binary mixtures of water + five noble gases: Comparison of bimodal and critical curves at high pressures (1996) Fluid Phase Equilibria, 123, pp. 1-15
dc.descriptionWertheim, M.S., Fluids with highly directional attractive forces. I. Statistical thermodynamics (1984) Journal of Statistical Physics, 35 (1-2), pp. 19-34
dc.descriptionWertheim, M.S., Fluids with highly directional attractive forces. II. Thermodynamic perturbation theory and integral equations (1984) Journal of Statistical Physics, 35 (1-2), pp. 35-47
dc.descriptionWertheim, M.S., Fluids with highly directional attractive forces. III. Multiple attraction sites (1986) J. Stat. Phys, 42, pp. 459-476
dc.descriptionWertheim, M.S., Fluids with highly directional attractive forces. IV. Equilibrium polimerization (1986) J. Stat. Phys, 42, pp. 477-492
dc.descriptionWertheim, M.S., Fluids of dimerizing hard spheres and mixtures of hard spheres and dispheres (1986) J. Chem. Phys, 85, pp. 2929-2936
dc.descriptionWertheim, M.S., Thermodynamic perturbation theory of polymerization (1987) J. Chem. Phys, 87, pp. 7323-7331
dc.descriptionXu Zhong, Sandler Stanley, I., Temperature-dependent parameters and the peng-robinson equation of state (1987) Industrial and Engineering Chemistry Research, 26 (3), pp. 601-606
dc.descriptionZhong, C., Masuoka, H., An EOS/GE type mixing rule for perturbed hard-sphere equation of state and its application to the calculation of solid solubility in supercritical carbon dioxide (1997) Fluid Phase Equilibria, 141 (1-2), pp. 13-23. , PII S0378381297001891
dc.languageen
dc.publisher
dc.relationInternational Journal of Thermodynamics
dc.rightsfechado
dc.sourceScopus
dc.titleStudies About An Equation Of State For Pure Associated Fluids: Temperature Dependent Co-volume Accounting A Physically Consistent Repulsive Term
dc.typeArtículos de revistas


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