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dc.contributor.author
Senol, Aynur
dc.contributor.author
Çehreli, Süheyla
dc.contributor.author
Özparlak, Nur
dc.contributor.author
Andreatta, Alfonsina Ester
dc.date.available
2018-12-05T16:04:35Z
dc.date.issued
2017-11
dc.identifier.citation
Senol, Aynur; Çehreli, Süheyla; Özparlak, Nur; Andreatta, Alfonsina Ester; Optimization of reactive extraction of C1–C4 aliphatic monocarboxylic acids from aqueous solutions: modeling solvation effect with extended-LSER, A-UNIFAC and SPR; John Wiley & Sons Ltd; Asia-Pacific Journal of Chemical Engineering; 12; 6; 11-2017; 919-937
dc.identifier.issn
1932-2135
dc.identifier.uri
http://hdl.handle.net/11336/65860
dc.description.abstract
This paper studies reactive extraction of formic (FA), acetic (AA), propionic (PA) and butyric (BA) acids from aqueous solutions by tri-n-butyl amine/diluent, with particular focus on proper optimization and modeling of extraction equilibria. The uptake capacities of amine/diluent and diluent alone approximate the following order: oleyl alcohol > octyl acetate > diisobutyl ketone and BA > PA > AA ≈ FA. An intrinsic optimization structure has been applied to the description of optimum extraction field of relevant systems, based on analyzing the variation profiles of separation ratio R and synergistic enhancement SE factors through the derivative variation method. We present new solvation molecular models extended-linear solvation energy relation (e-LSER), SPR1 and SPR2 (solvation probability relation), and an extension to group-contribution approach A-UNIFAC (Association-UNIFAC). A-UNIFAC predicts phase equilibria using new group interaction parameters regressed from vapor-liquid equilibrium data. The e-LSER model involves eight descriptors used for expressing solvent effects. By performing SPR1 and SPR2, we are able to scale up the probability range and activation energy of solvation effect. The strength of acid-amine association is calculated with chemodel. e-LSER, A-UNIFAC, SPR and chemodel simulate accurately the observed performance with average deviations inferior to 4.8%, 24.1%, 0.8% and 16.2%, respectively.
dc.format
application/pdf
dc.language.iso
eng
dc.publisher
John Wiley & Sons Ltd
dc.rights
info:eu-repo/semantics/openAccess
dc.rights.uri
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.subject
Extraction
dc.subject
Modeling
dc.subject
Monocarboxylic Acid
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Optimization
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Tri-N-Butyl Amine
dc.subject.classification
Otras Ingeniería Química
dc.subject.classification
Ingeniería Química
dc.subject.classification
INGENIERÍAS Y TECNOLOGÍAS
dc.title
Optimization of reactive extraction of C1–C4 aliphatic monocarboxylic acids from aqueous solutions: modeling solvation effect with extended-LSER, A-UNIFAC and SPR
dc.type
info:eu-repo/semantics/article
dc.type
info:ar-repo/semantics/artículo
dc.type
info:eu-repo/semantics/publishedVersion
dc.date.updated
2018-10-22T19:35:35Z
dc.identifier.eissn
1932-2143
dc.journal.volume
12
dc.journal.number
6
dc.journal.pagination
919-937
dc.journal.pais
Estados Unidos
dc.journal.ciudad
Nueva Jersey
dc.description.fil
Fil: Senol, Aynur. Istanbul University; Turquía
dc.description.fil
Fil: Çehreli, Süheyla. Istanbul University; Turquía
dc.description.fil
Fil: Özparlak, Nur. Istanbul University; Turquía
dc.description.fil
Fil: Andreatta, Alfonsina Ester. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Bahía Blanca. Planta Piloto de Ingeniería Química (I). Grupo Vinculado al Plapiqui - Investigación y Desarrollo en Tecnología Química; Argentina. Universidad Tecnológica Nacional; Argentina
dc.journal.title
Asia-Pacific Journal of Chemical Engineering
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/https://dx.doi.org/10.1002/apj.2129
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/url/https://onlinelibrary.wiley.com/doi/abs/10.1002/apj.2129
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