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The development of a comprehensive toolbox based on multi-level, high-throughput screening of MOFs for CO/N2 separations.
Rampal, Nakul; Ajenifuja, Abdulmalik; Tao, Andi; Balzer, Christopher; Cummings, Matthew S; Evans, Arwyn; Bueno-Perez, Rocio; Law, David J; Bolton, Leslie W; Petit, Camille; Siperstein, Flor; Attfield, Martin P; Jobson, Megan; Moghadam, Peyman Z; Fairen-Jimenez, David.
Afiliación
  • Rampal N; The Adsorption & Advanced Materials Laboratory (A2ML), Department of Chemical Engineering & Biotechnology, University of Cambridge Philippa Fawcett Drive Cambridge CB3 0AS UK df334@cam.ac.uk.
  • Ajenifuja A; Department of Chemical Engineering and Analytical Science, The University of Manchester Oxford Road Manchester M13 9PL UK.
  • Tao A; The Adsorption & Advanced Materials Laboratory (A2ML), Department of Chemical Engineering & Biotechnology, University of Cambridge Philippa Fawcett Drive Cambridge CB3 0AS UK df334@cam.ac.uk.
  • Balzer C; The Adsorption & Advanced Materials Laboratory (A2ML), Department of Chemical Engineering & Biotechnology, University of Cambridge Philippa Fawcett Drive Cambridge CB3 0AS UK df334@cam.ac.uk.
  • Cummings MS; Centre for Nanoporous Materials, Department of Chemistry, The University of Manchester Oxford Road Manchester M13 9PL UK.
  • Evans A; Barrer Centre, Department of Chemical Engineering, Imperial College London, South Kensington Campus London SW7 2AZ UK.
  • Bueno-Perez R; The Adsorption & Advanced Materials Laboratory (A2ML), Department of Chemical Engineering & Biotechnology, University of Cambridge Philippa Fawcett Drive Cambridge CB3 0AS UK df334@cam.ac.uk.
  • Law DJ; bp Chemicals Limited Saltend Hull HU12 8DS UK.
  • Bolton LW; bp International Limited Chertsey Road, Sunbury-upon-Thames TW16 7BP UK.
  • Petit C; Barrer Centre, Department of Chemical Engineering, Imperial College London, South Kensington Campus London SW7 2AZ UK.
  • Siperstein F; Department of Chemical Engineering and Analytical Science, The University of Manchester Oxford Road Manchester M13 9PL UK.
  • Attfield MP; Centre for Nanoporous Materials, Department of Chemistry, The University of Manchester Oxford Road Manchester M13 9PL UK.
  • Jobson M; Department of Chemical Engineering and Analytical Science, The University of Manchester Oxford Road Manchester M13 9PL UK.
  • Moghadam PZ; The Adsorption & Advanced Materials Laboratory (A2ML), Department of Chemical Engineering & Biotechnology, University of Cambridge Philippa Fawcett Drive Cambridge CB3 0AS UK df334@cam.ac.uk.
  • Fairen-Jimenez D; Department of Chemical and Biological Engineering, University of Sheffield Sheffield S1 3JD UK.
Chem Sci ; 12(36): 12068-12081, 2021 Sep 22.
Article en En | MEDLINE | ID: mdl-34667572
The separation of CO/N2 mixtures is a challenging problem in the petrochemical sector due to the very similar physical properties of these two molecules, such as size, molecular weight and boiling point. To solve this and other challenging gas separations, one requires a holistic approach. The complexity of a screening exercise for adsorption-based separations arises from the multitude of existing porous materials, including metal-organic frameworks. Besides, the multivariate nature of the performance criteria that needs to be considered when designing an optimal adsorbent and a separation process - i.e. an optimal material requires fulfillment of several criteria simultaneously - makes the screening challenging. To address this, we have developed a multi-scale approach combining high-throughput molecular simulation screening, data mining and advanced visualization, as well as process system modelling, backed up by experimental validation. We have applied our recent advances in the engineering of porous materials' morphology to develop advanced monolithic structures. These conformed, shaped monoliths can be used readily in industrial applications, bringing a valuable strategy for the development of advanced materials. This toolbox is flexible enough to be applied to multiple adsorption-based gas separation applications.
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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Tipo de estudio: Diagnostic_studies / Prognostic_studies / Screening_studies Idioma: En Revista: Chem Sci Año: 2021 Tipo del documento: Article Pais de publicación: Reino Unido
Texto completo
Añadir a Mi BVS
Imprimir
XML
PubMed Links
Buscar en Google

Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Tipo de estudio: Diagnostic_studies / Prognostic_studies / Screening_studies Idioma: En Revista: Chem Sci Año: 2021 Tipo del documento: Article Pais de publicación: Reino Unido