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dc.contributor.author
Pereda, Selva
dc.contributor.author
Brignole, Esteban Alberto
dc.contributor.author
Bottini, Susana Beatriz
dc.contributor.other
Goodwin, Anthony R.
dc.contributor.other
Sengers, Jan
dc.contributor.other
Peters, Cor J.
dc.date.available
2020-10-19T20:27:09Z
dc.date.issued
2010
dc.identifier.citation
Pereda, Selva; Brignole, Esteban Alberto; Bottini, Susana Beatriz; Equations of State in Chemical Reacting Systems; Royal Society of Chemistry; 2010; 435-461
dc.identifier.isbn
978-1-84973-098-3
dc.identifier.uri
http://hdl.handle.net/11336/116157
dc.description.abstract
Phase and chemical equilibrium calculations are essential for the design of processes involving chemical transformations. Even in the case of reactions that cannot reach chemical equilibrium, the solution of this problem gives information on the expected behaviour of the system and the potential thermodynamic limitations. There are several problems in which the simultaneous calculation of chemical and phase behaviour is mandatory. This is the case, for example, of reactive distillations where phase separation is used to shift chemical equilibrium. Also, the calculation of gas and solid solubility in liquids of high dielectric constants requires at times the resolution of chemical equilibrium between the different species that are formed in the liquid phase. Several algorithms have been proposed in the literature to solve the complex non-linear problem; however, proper thermodynamic model selection has not received much attention. In recent times, the use of supercritical solvents has emerged as an important technique to improve rates and selectivities in diffusion-controlled reactions. Phase behaviour near the critical point of mixtures is very sensitive to process operating conditions and mixture compositions. The selection and design of the appropriate phase conditions to exploit process potential require thermodynamic models able to deal with highly asymmetric mixtures involving permanent gases, supercritical solvents and non-volatile substrates. This chapter presents a phase equilibrium engineering approach to analyze the phase behaviour of chemical reacting systems. The use of group contribution equations of states in these systems is discussed. The main advantage of these models is that they have predictive capability for compounds that were not included in the parameterization process. The lack of equilibrium data in reactive mixtures is quite common; therefore, group contribution methods allow designers to gain knowledge on the changes in phase behaviour as the reaction proceeds.
dc.format
application/pdf
dc.language.iso
eng
dc.publisher
Royal Society of Chemistry
dc.rights
info:eu-repo/semantics/restrictedAccess
dc.rights.uri
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.subject
EQUATION OF STATE
dc.subject
CHEMICAL REACTING SYSTEMS
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GROUP CONTRIBUTION EOS
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SUPERCRITICAL REACTORS
dc.subject.classification
Ingeniería de Procesos Químicos
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Ingeniería Química
dc.subject.classification
INGENIERÍAS Y TECNOLOGÍAS
dc.title
Equations of State in Chemical Reacting Systems
dc.type
info:eu-repo/semantics/publishedVersion
dc.type
info:eu-repo/semantics/bookPart
dc.type
info:ar-repo/semantics/parte de libro
dc.date.updated
2020-08-18T15:00:44Z
dc.journal.pagination
435-461
dc.journal.pais
Reino Unido
dc.description.fil
Fil: Pereda, Selva. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Planta Piloto de Ingeniería Química. Universidad Nacional del Sur. Planta Piloto de Ingeniería Química; Argentina
dc.description.fil
Fil: Brignole, Esteban Alberto. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Planta Piloto de Ingeniería Química. Universidad Nacional del Sur. Planta Piloto de Ingeniería Química; Argentina
dc.description.fil
Fil: Bottini, Susana Beatriz. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/url/http://pubs.rsc.org/en/content/ebook/978-1-84973-098-3
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/url/https://pubs.rsc.org/en/content/chapter/bk9781847558060-00433/978-1-84755-806-0
dc.conicet.paginas
509
dc.source.titulo
Applied Thermodynamics of Fluids
dc.conicet.nroedicion
1ra