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Moya, CristianAuthor

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November 19, 2024
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Exploiting process thermodynamics in carbon capture from direct air to industrial sources: The paradigmatic case of ionic liquids

Publicated to:Carbon Capture Science And Technology. 13 100320- - 2024-12-01 13(), DOI: 10.1016/j.ccst.2024.100320

Authors: Dorado-Alfaro, Sergio; Hospital-Benito, Daniel; Moya, Cristian; Navarro, Pablo; Lemus, Jesus; Palomar, Jose

Affiliations

Univ Autonoma Madrid, Dept Ingn Quim, Calle Tomasy Valiente 7, Madrid 28049, Spain - Author
Univ Rey Juan Carlos, Dept Tecnol Quim Energet & Mecan, Madrid 28933, Spain - Author

Abstract

The development of efficient and cost-effective carbon capture (CC) technologies is becoming a crucial challenge for short-term industrial decarbonization strategies and energy transition goals centred on biomethane and biohydrogen production. Nowadays, available CC technologies present main shortcomings for being applied to the huge wide range of CO2 partial pressure involved in currently-of-interest industrial CC scenarios (from 0.0004 bar in direct air capture to 13 bar in pre-combustion system: it means five orders of magnitude). Aprotic N-heterocyclic anion-based ionic liquids (AHA-ILs) arise as highly versatile CO2 chemical absorbents able to deal with this challenge. In this work, the process thermodynamic limits of the CC based on AHA-IL is explored by estimating the thermodynamic CO2 absorption cyclic capacity ( z Y1, ) for four relevant CC industrial systems [inlet CO2 partial pressure typical of direct air capture (DAC), post-combustion (post-comb), biogas upgrading (biogas) and pre-combustion (pre-comb)], by means of sensitivity analysis in the literature reported range of key material properties (reaction enthalpy, Delta H R : [-15, -100 kJ/mol]; reaction entropy, Delta S R : [-0.05, -0.16 kJ/mol center dot K]; Henry constant, KH: [20, 115 bar]) and process operating conditions (absorption temperature, T o6s : [20, 100 degrees C]; regeneration temperature, T Ye g : [20, 100 degrees C]; regeneration pressure, P eg 2 : [0.01, 0.5 bar]). It is obtained that z Y1, can be significantly increased by designing AHA-ILs with more negative Delta H R and Delta S R values, since reaction exothermicity enhances the absorption stage, whereas unfavourable reaction entropy promotes absorbent regeneration. Physical absorption contribution described by KH plays a minor role in post-comb and biogas CC systems and becomes highly relevant for pre-comb conditions; surprisingly, DAC process can be enhanced by decreasing the KH value of the material. Regarding the influence of process operating conditions, the CC cyclic capacity is improved by decreasing T o6s and P eg 2 and increasing T Ye g , but with remarkably different impact depending on CC scenario: z Y1, is barely affected in pre-comb system whereas process conditions are determinant for obtaining positive z Y1, values in DAC. Finally, the critical analysis of literature available Delta H R , Delta S R and KH reveals the great suitability of designing AHA-IL materials, by fine tuning the cation and anion structures, to develop innovative technology with improved CC process performance, particularly for more challenging DAC and diluted carbon source capture.

Keywords

AbsorptionBiogasCarbon captureCarbon sourceCo2 captureConductivityHeterocyclic anion ahaIonic liquidIonic liquidsProcess analysisSelf-diffusion coefficientSolventsStoragTechnologyThermodynamic analysisTransport-properties viscosity

Quality index

Bibliometric impact. Analysis of the contribution and dissemination channel

The work has been published in the journal Carbon Capture Science And Technology 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 11/91, thus managing to position itself as a Q1 (Primer Cuartil), in the category Green & Sustainable Science & Technology.

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 2025-07-16:

  • Scopus: 2

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 2025-07-16:

  • 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: 18 (PlumX).

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.