Process simulation and optimization on ionic liquids

Ionic liquids (ILs) are promising alternative compounds that enable the development of technologies based on their unique properties as solvents or catalysts. These technologies require integrated product and process designs to select ILs with optimal process performances at an industrial scale to p...

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Detalles Bibliográficos
Autores: Palomar Herrero, José Francisco, Lemus Torres, Jesús, Navarro Tejedor, Pablo, Moya Álamo, Cristian, Santiago Lorenzo, Rubén, Hospital Benito, Daniel, Hernández, Elena
Tipo de recurso: artículo
Fecha de publicación:2024
País:España
Institución:Universidad Autónoma de Madrid
Repositorio:Biblos-e Archivo. Repositorio Institucional de la UAM
Idioma:inglés
OAI Identifier:oai:repositorio.uam.es:10486/711151
Acceso en línea:http://hdl.handle.net/10486/711151
https://dx.doi.org/10.1021/acs.chemrev.3c00512
Access Level:acceso abierto
Palabra clave:Catalysts
Cations
CO2
Química
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spelling Process simulation and optimization on ionic liquidsPalomar Herrero, José FranciscoLemus Torres, JesúsNavarro Tejedor, PabloMoya Álamo, CristianSantiago Lorenzo, RubénHospital Benito, DanielHernández, ElenaCatalystsCationsCO2QuímicaIonic liquids (ILs) are promising alternative compounds that enable the development of technologies based on their unique properties as solvents or catalysts. These technologies require integrated product and process designs to select ILs with optimal process performances at an industrial scale to promote cost-effective and sustainable technologies. The digital era and multiscale research methodologies have changed the paradigm from experiment-oriented to hybrid experimental−computational developments guided by process engineering. This Review summarizes the relevant contributions (>300 research papers) of process simulations to advance IL-based technology developments by guiding experimental research efforts and enhancing industrial transferability. Robust simulation methodologies, mostly based on predictive COSMO-SAC/RS and UNIFAC models in Aspen Plus software, were applied to analyze key IL applications: physical and chemical CO2 capture, CO2 conversion, gas separation, liquid−liquid extraction, extractive distillation, refrigeration cycles, and biorefinery. The contributions concern the IL selection criteria, operational unit design, equipment sizing, technoeconomic and environmental analyses, and process optimization to promote the competitiveness of the proposed IL-based technologies. Process simulation revealed that multiscale research strategies enable advancement in the technological development of IL applications by focusing research efforts to overcome the limitations and exploit the excellent properties of ILsThe authors are grateful to Ministerio de Ciencia e Innovación of Spain (projects PID2020-118259RB-I00 and TED2021129803A-I00) and Centro de Computación Científica de la Universidad Autónoma de Madrid for computational facilities. E. Hernández thanks Spanish Ministerio de Universidades for awarding the FPU grant FPU20/03198. R. Santiago thanks Ministerio Universidades for his Margarita Salas contract (CA1/RSUE/2021-00585)ACSDepartamento de Ingeniería QuímicaFacultad de CienciasUAM. Departamento de Ingeniería Química20242024-02-06research articlehttp://purl.org/coar/resource_type/c_2df8fbb1VoRhttp://purl.org/coar/version/c_970fb48d4fbd8a85info:eu-repo/semantics/articleapplication/pdfhttp://hdl.handle.net/10486/711151https://dx.doi.org/10.1021/acs.chemrev.3c00512reponame:Biblos-e Archivo. Repositorio Institucional de la UAMinstname:Universidad Autónoma de MadridInglésengopen accesshttp://purl.org/coar/access_right/c_abf2info:eu-repo/semantics/openAccessoai:repositorio.uam.es:10486/7111512026-06-23T12:46:27Z
dc.title.none.fl_str_mv Process simulation and optimization on ionic liquids
title Process simulation and optimization on ionic liquids
spellingShingle Process simulation and optimization on ionic liquids
Palomar Herrero, José Francisco
Catalysts
Cations
CO2
Química
title_short Process simulation and optimization on ionic liquids
title_full Process simulation and optimization on ionic liquids
title_fullStr Process simulation and optimization on ionic liquids
title_full_unstemmed Process simulation and optimization on ionic liquids
title_sort Process simulation and optimization on ionic liquids
dc.creator.none.fl_str_mv Palomar Herrero, José Francisco
Lemus Torres, Jesús
Navarro Tejedor, Pablo
Moya Álamo, Cristian
Santiago Lorenzo, Rubén
Hospital Benito, Daniel
Hernández, Elena
author Palomar Herrero, José Francisco
author_facet Palomar Herrero, José Francisco
Lemus Torres, Jesús
Navarro Tejedor, Pablo
Moya Álamo, Cristian
Santiago Lorenzo, Rubén
Hospital Benito, Daniel
Hernández, Elena
author_role author
author2 Lemus Torres, Jesús
Navarro Tejedor, Pablo
Moya Álamo, Cristian
Santiago Lorenzo, Rubén
Hospital Benito, Daniel
Hernández, Elena
author2_role author
author
author
author
author
author
dc.contributor.none.fl_str_mv Departamento de Ingeniería Química
Facultad de Ciencias
UAM. Departamento de Ingeniería Química
dc.subject.none.fl_str_mv Catalysts
Cations
CO2
Química
topic Catalysts
Cations
CO2
Química
description Ionic liquids (ILs) are promising alternative compounds that enable the development of technologies based on their unique properties as solvents or catalysts. These technologies require integrated product and process designs to select ILs with optimal process performances at an industrial scale to promote cost-effective and sustainable technologies. The digital era and multiscale research methodologies have changed the paradigm from experiment-oriented to hybrid experimental−computational developments guided by process engineering. This Review summarizes the relevant contributions (>300 research papers) of process simulations to advance IL-based technology developments by guiding experimental research efforts and enhancing industrial transferability. Robust simulation methodologies, mostly based on predictive COSMO-SAC/RS and UNIFAC models in Aspen Plus software, were applied to analyze key IL applications: physical and chemical CO2 capture, CO2 conversion, gas separation, liquid−liquid extraction, extractive distillation, refrigeration cycles, and biorefinery. The contributions concern the IL selection criteria, operational unit design, equipment sizing, technoeconomic and environmental analyses, and process optimization to promote the competitiveness of the proposed IL-based technologies. Process simulation revealed that multiscale research strategies enable advancement in the technological development of IL applications by focusing research efforts to overcome the limitations and exploit the excellent properties of ILs
publishDate 2024
dc.date.none.fl_str_mv 2024
2024-02-06
dc.type.none.fl_str_mv research article
http://purl.org/coar/resource_type/c_2df8fbb1
VoR
http://purl.org/coar/version/c_970fb48d4fbd8a85
dc.type.openaire.fl_str_mv info:eu-repo/semantics/article
format article
dc.identifier.none.fl_str_mv http://hdl.handle.net/10486/711151
https://dx.doi.org/10.1021/acs.chemrev.3c00512
url http://hdl.handle.net/10486/711151
https://dx.doi.org/10.1021/acs.chemrev.3c00512
dc.language.none.fl_str_mv Inglés
eng
language_invalid_str_mv Inglés
language eng
dc.rights.none.fl_str_mv open access
http://purl.org/coar/access_right/c_abf2
dc.rights.openaire.fl_str_mv info:eu-repo/semantics/openAccess
rights_invalid_str_mv open access
http://purl.org/coar/access_right/c_abf2
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv application/pdf
dc.publisher.none.fl_str_mv ACS
publisher.none.fl_str_mv ACS
dc.source.none.fl_str_mv reponame:Biblos-e Archivo. Repositorio Institucional de la UAM
instname:Universidad Autónoma de Madrid
instname_str Universidad Autónoma de Madrid
reponame_str Biblos-e Archivo. Repositorio Institucional de la UAM
collection Biblos-e Archivo. Repositorio Institucional de la UAM
repository.name.fl_str_mv
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