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Measurements and modeling of physical properties for oil and biomaterial refining

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dc.contributor Aalto-yliopisto fi
dc.contributor Aalto University en
dc.contributor.advisor Uusi-Kyyny, Petri, D.Sc (Tech), Aalto University, Department of Biotechnology and Chemical Technology, Finland
dc.contributor.advisor Pokki, Juha-Pekka, D.Sc (Tech), Aalto University, Department of Biotechnology and Chemical Technology, Finland
dc.contributor.author Zaitseva, Anna
dc.date.accessioned 2014-07-02T09:00:12Z
dc.date.available 2014-07-02T09:00:12Z
dc.date.issued 2014
dc.identifier.isbn 978-952-60-5751-4 (electronic)
dc.identifier.isbn 978-952-60-5750-7 (printed)
dc.identifier.issn 1799-4942 (electronic)
dc.identifier.issn 1799-4934 (printed)
dc.identifier.issn 1799-4934 (ISSN-L)
dc.identifier.uri https://aaltodoc.aalto.fi/handle/123456789/13620
dc.description.abstract The aim of this thesis was to investigate a set of binary systems for developing necessary thermodynamic models for oil and biofuel industries. Extensive experimental work was performed for supplying the necessary vapor – liquid equilibria (VLE) and excess enthalpy data for the selected systems. Binary systems with C4 hydrocarbons + alkenes, alcohols and ketones were measured due to their importance in production of fuel additives. Static total pressure apparatus was utilized for these isothermal measurements. Important for fuel purification, systems with sulfur containing compounds were measured using recirculation still apparatus at isothermal conditions. Several experimental techniques for VLE measurements were applied for investigation of furfural containing binary systems and for the 2-methoxy-2-methylpropane (MIBK) + alcohol systems. Furfural can serve as one of the precursor in production of biofuel. Calorimetric measurements were also made for these systems using flow mixing calorimeter. Consistency of all experimental data was analyzed with four different consistency tests. The obtained experimental data were used for optimization of Wilson, NRTL an UNIQUAC model parameters and for validation of predictive group contribution model UNIFAC(Dortmund) and predictive COSMO-RS model. A method for improving group contribution methods is suggested. The distance weighting technique takes into account similarity of the compounds for optimization of the group contribution parameters. The suggested method is applicable to linearized group contribution methods. Normal boiling points of the pure compounds were predicted applying new technique to Joback – Reid and Marrero – Gani group contribution methods. Average improvement of the normal boiling point predictions was 6 K for the Joback – Reid method and 4 K for the Marrero – Gani method. en
dc.format.extent 84 + app. 145
dc.format.mimetype application/pdf en
dc.language.iso en en
dc.publisher Aalto University en
dc.publisher Aalto-yliopisto fi
dc.relation.ispartofseries Aalto University publication series DOCTORAL DISSERTATIONS en
dc.relation.ispartofseries 94/2014
dc.relation.haspart [Publication 1]: Zaitseva, A. and Alopaeus, V. Improving group contribution methods by distance weighting | Amélioration de la méthode de contribution du groupe en pondérant la distance du groupe. Oil and Gas Science and Technology (2013), vol. 68, no. 2, pp. 235-247.
dc.relation.haspart [Publication 2]: Zaitseva, A.; Laavi H.; Pokki J.-P.; Uusi-Kyyny P. and Alopaeus V. Isothermal Vapor-Liquid Equilibrium and Excess Molar Enthalpies of the binary mixtures furfural + methyl isobutyl ketone, + 2-butanol and + 2-methyl-2-butanol. Fluid Phase Equilibria (2014), 372, 85–99.
dc.relation.haspart [Publication 3]: Laavi, H.; Zaitseva, A.; Pokki, J.-P.; Uusi-Kyyny, P.; Kim, Y.; Alopaeus, V. Vapor-liquid equilibrium, excess molar enthalpies, and excess molar volumes of binary mixtures containing methyl isobutyl ketone (MIBK) and 2-butanol, tert-pentanol, or 2-ethyl-1-hexanol. Journal of Chemical and Engineering Data (2012), vol. 57, n. 11, pp. 3092-3101.
dc.relation.haspart [Publication 4]: Zaytseva, A.; Uusi-Kyyny, P.; Pokki, J.-P.; Pakkanen, M.; Aittamaa, J. Vapor-Liquid Equilibrium for the trans-2-Butene + Methanol, + Ethanol, + 2-Propanol, + 2-Butanol, and + 2-Methyl-2-propanol Systems at 332 K. Journal of Chemical and Engineering Data (2004), 49(5), 1168-1174.
dc.relation.haspart [Publication 5]: Dell'Era, C.; Zaytseva, A.; Uusi-Kyyny, P.; Pokki, J.-P.; Pakkanen, M.; Aittamaa, J. Vapour-liquid equilibrium for the systems butane + methanol, +2-propanol, +1-butanol, +2-butanol, +2-methyl-2-propanol at 364.5 K. Fluid Phase Equilibria (2007), 254(1-2), 49-59.
dc.relation.haspart [Publication 6]: Pasanen, M.; Zaytseva, A.; Uusi-Kyyny, P.; Pokki, J.–P.; Pakkanen, M.; Aittamaa, J. Vapor Liquid Equilibrium for Six Binary Systems of C4-Hydrocarbons + 2-Propanone. Journal of Chemical & Engineering Data (2006), 51(2), 554-561.
dc.relation.haspart [Publication 7]: Ouni, T.; Zaytseva, A.; Uusi-Kyyny, P.; Pokki, J.-P.; Aittamaa, J. Vapour-liquid equilibrium for the 2-methylpropane + methanol, +ethanol, +2-propanol, +2-butanol and +2-methyl-2-propanol systems at 313.15K. Fluid Phase Equilibria (2005), 232(1-2), 90-99.
dc.relation.haspart [Publication 8]: Sapei, E.; Zaytseva, A; Uusi-Kyyny, P; Younghun, K; Keskinen, K. I.; Aittamaa, J. Vapor-Liquid Equilibrium for Binary System of 1-Propanethiol, Thiophene, and Diethyl Sulfide with Toluene at 90.03 kPa. Journal of Chemical & Engineering Data (2006), 51(4), 1372-1376.
dc.relation.haspart [Publication 9]: Sapei, E.; Zaytseva, A.; Uusi-Kyyny, P.; Keskinen, K. I.; Aittamaa, J. Vapor-Liquid Equilibrium for Binary System of Diethyl Sulfide + n-Hexane at (338.15 and 323.15) K and Diethyl Sulfide + 1-Hexene at (333.15 and 323.15) K. Journal of Chemical & Engineering Data (2007), 52(2), 571-576.
dc.relation.haspart [Publication 10]: Sapei, E.; Zaytseva, A.; Uusi-Kyyny, P.; Keskinen, K. I.; Aittamaa, J. Vapor-Liquid Equilibrium for Binary System of Diethyl Sulfide + n-Heptane and Diethyl Sulfide + 2,2,4-Trimethylpentane at (363.15 and 353.15) K. Journal of Chemical & Engineering Data (2007), 52(1), 192-198.
dc.relation.haspart [Publication 11]: Sapei, E.; Zaytseva, A.; Uusi-Kyyny, P.; Keskinen, K. I.; Aittamaa, J. Vapor-liquid equilibrium for binary system of diethyl sulfide + cyclohexane at 353.15 and 343.15K and diethyl sulfide + 2-ethoxy-2-methylpropane at 343.15 and 333.15K. Fluid Phase Equilibria (2007), 252(1-2), 130-136.
dc.relation.haspart [Publication 12]: Sapei, E.; Zaytseva, A.; Uusi-Kyyny, P.; Keskinen, K. I.; Aittamaa, J. Vapor-Liquid Equilibrium for Binary System of Thiophene + n-Hexane at (338.15 and 323.15) K and Thiophene + 1-Hexene at (333.15 and 323.15) K. Journal of Chemical & Engineering Data (2006), 51(6), 2203-2208.
dc.relation.haspart [Publication 13]: Sapei, E.; Zaytseva, A.; Uusi-Kyyny, P.; Keskinen, K. I.; Aittamaa, J. Vapor-liquid equilibrium for binary system of thiophene+2,2,4-trimethylpentane at 343.15 and 353.15K and thiophene+2-ethoxy-2-methylpropane at 333.15 and 343.15K. Fluid Phase Equilibria (2007), 261(1-2), 115-121.
dc.subject.other Chemistry en
dc.title Measurements and modeling of physical properties for oil and biomaterial refining en
dc.type G5 Artikkeliväitöskirja fi
dc.contributor.school Kemian tekniikan korkeakoulu fi
dc.contributor.school School of Chemical Technology en
dc.contributor.department Biotekniikan ja kemian tekniikan laitos fi
dc.contributor.department Department of Biotechnology and Chemical Technology en
dc.subject.keyword vapor-liquid equilibrium en
dc.subject.keyword excess enthalpy en
dc.subject.keyword furfural en
dc.subject.keyword COSMO-RS en
dc.subject.keyword UNIFAC en
dc.subject.keyword headspace gas chromatography en
dc.subject.keyword recirculation still apparatus en
dc.subject.keyword static total pressure apparatus en
dc.identifier.urn URN:ISBN:978-952-60-5751-4
dc.type.dcmitype text en
dc.type.ontasot Doctoral dissertation (article-based) en
dc.type.ontasot Väitöskirja (artikkeli) fi
dc.contributor.supervisor Alopaeus, Ville, Professor, Aalto University, Department of Biotechnology and Chemical Technology, Finland
dc.opn Arlt, Wolfgang, Professor Dr.-Ing., Universität Erlangen-Nürnberg, Germany
dc.date.dateaccepted 2014-06-17
dc.contributor.lab Research group of Chemical Engineering en
dc.contributor.lab Kemian laitetekniikan tutkimusryhmä fi
dc.rev Jaubert, Jean Noël, Professor, Université de Lorrain, France
dc.rev Mokrushina, Liudmila, Doctor, Universität Erlangen-Nürnberg, Germany
dc.date.defence 2014-08-15
local.aalto.digifolder Aalto_67707
local.aalto.digiauth ask


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