Liquid-Liquid Equilibrium Data Correlation: Predicting A Robust and Consistent Set of Initial NRTL Parameters (GUI: ParamIni_LL_NRTL)
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http://hdl.handle.net/10045/134753
Títol: | Liquid-Liquid Equilibrium Data Correlation: Predicting A Robust and Consistent Set of Initial NRTL Parameters (GUI: ParamIni_LL_NRTL) |
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Títol alternatiu: | Graphical User Interface (GUI): ParamIni_LL_NRTL |
Autors: | Labarta, Juan A. | Caballero, José A. | Marcilla, Antonio |
Grups d'investigació o GITE: | Computer Optimization of Chemical Engineering Processes and Technologies (CONCEPT) | Procesado y Pirólisis de Polímeros |
Centre, Departament o Servei: | Universidad de Alicante. Departamento de Ingeniería Química |
Paraules clau: | NRTL model | LLE | Fluid phase equilibria | Correlation data | Consistency | Binary interection parameters | ESCAPE33 | ParamIni_LL_NRTL | GUI | Graphical user interface |
Data de creació: | 13-de novembre-2022 |
Data de publicació: | 30-de març-2023 |
Resum: | In the present work, the NRTL model has been analyzed to obtain a good representation of the different ternary liquid-liquid equilibria that this thermodynamic model can reproduce satisfactorily. To do that, the main characteristics of different possible binary subsystems, ternary binodal curves (location in the composition diagram, size, tie-lines orientation, and plait point location), and LLLE tie triangles have been evaluated. With more than two hundred systems studied, the different behaviors have been parametrized to create, as the main objective of the present work, a database and a graphical user interface associated (ParamIni_LL_NRTL, Labarta et al. 2022. RUA: http://hdl.handle.net/10045/130017). This resource (publicly available for teaching and research uses) allows, given a set of ternary experimental LLE data to obtain by comparison with the elements of the database, a consistent set of initial NRTL parameters (taui,j, alfai,j) to start the corresponding correlation data procedure with enough guarantees. |
Descripció: | 33rd European Symposium on Computer Aided Process Engineering (ESCAPE33), June 18-21, 2023, Athens, Greece (Theme 8. Education and knowledge transfer: Poster 43,Board 107). |
Patrocinadors: | The authors gratefully acknowledge the financial support by the Ministry of Science and Innovation from Spain, under the project PID2021-124139NB-C21: SUS4Energy, 2022/00666/001 (AEI). |
URI: | http://hdl.handle.net/10045/134753 |
Idioma: | eng |
Tipus: | info:eu-repo/semantics/conferenceObject |
Drets: | Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International License (CC BY-NC-ND 4.0) |
Revisió científica: | si |
Apareix a la col·lecció: | INV - GTP3 - Comunicaciones a Congresos INV - CONCEPT - Comunicaciones a Congresos, Conferencias, etc. |
Arxius per aquest ítem:
Arxiu | Descripció | Tamany | Format | |
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ReferencesList_GUI_ParamIni_LL_NRTL.pdf | Full list of poster references | 125,36 kB | Adobe PDF | Obrir Vista prèvia |
Poster43_107_GUI_ParamIni_LL_NRTL.pdf | Main poster | 439,72 kB | Adobe PDF | Obrir Vista prèvia |
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