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Moya, CAuthor
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Review

Process Simulation and Optimization on Ionic Liquids

Publicated to:Chemical Reviews. 124 (4): 1649-1737 - 2024-02-06 124(4), DOI: 10.1021/acs.chemrev.3c00512

Authors: Palomar, Jose; Lemus, Jesus; Navarro, Pablo; Moya, Cristian; Santiago, Ruben; Hospital-Benito, Daniel; Hernandez, Elisa

Affiliations

Autonomous Univ Madrid, Chem Engn Dept - Author
Univ Nacl Educ Distancia UNED, Dept Ingn Elect Elect Control Telemat & Quim Aplic, ETS Ingn Ind - Author
Univ Rey Juan Carlos, Dept Tecnol Quim Energet & Mecan - Author

Abstract

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.

Keywords
Application programsAromatic-aliphatic separationBinary-mixturesCarbon dioxideCatalystComputer-aided-designConceptual process designCost effectivenessDistillationDrug developmentExtractive distillation systemsIndustrial researchIntegrated product and process designsIonic liquidIonic liquidsLiquid liquid extractionOptimal processOptimizationPatient selectionPopulusPostcombustion co2 captureProcess designProcess modelProcess optimisationProcess optimizationProcess performanceProcess simulationsProduce propylene carbonatePropertyPyrolysis gasolineRefrigerationResearch effortsReviewSimulationSimulation and optimizationSoftwareSolventTechnoeconomic analysisTechnology-basedUnifac group-contribution]+ catalyst

Quality index

Bibliometric impact. Analysis of the contribution and dissemination channel

The work has been published in the journal Chemical Reviews due to its progression and the good impact it has achieved in recent years, according to the agency WoS (JCR), it has become a reference in its field. In the year of publication of the work, 2024 there are still no calculated indicators, but in 2023, it was in position 1/231, thus managing to position itself as a Q1 (Primer Cuartil), in the category Chemistry, Multidisciplinary. Notably, the journal is positioned above the 90th percentile.

Independientemente del impacto esperado determinado por el canal de difusión, es importante destacar el impacto real observado de la propia aportación.

Según las diferentes agencias de indexación, el número de citas acumuladas por esta publicación hasta la fecha 2025-05-12:

  • WoS: 18
  • Scopus: 28
Impact and social visibility

From the perspective of influence or social adoption, and based on metrics associated with mentions and interactions provided by agencies specializing in calculating the so-called "Alternative or Social Metrics," we can highlight as of 2025-05-12:

  • The use, from an academic perspective evidenced by the Altmetric agency indicator referring to aggregations made by the personal bibliographic manager Mendeley, gives us a total of: 44.
  • The use of this contribution in bookmarks, code forks, additions to favorite lists for recurrent reading, as well as general views, indicates that someone is using the publication as a basis for their current work. This may be a notable indicator of future more formal and academic citations. This claim is supported by the result of the "Capture" indicator, which yields a total of: 43 (PlumX).

With a more dissemination-oriented intent and targeting more general audiences, we can observe other more global scores such as:

  • The Total Score from Altmetric: 2.
  • The number of mentions on the social network X (formerly Twitter): 2 (Altmetric).

It is essential to present evidence supporting full alignment with institutional principles and guidelines on Open Science and the Conservation and Dissemination of Intellectual Heritage. A clear example of this is:

  • The work has been submitted to a journal whose editorial policy allows open Open Access publication.