Computer‐Assisted Screening of Ordered Crystalline Nanoporous Adsorbents for Separation of Alkane Isomers
2012; Wiley; Volume: 124; Issue: 47 Linguagem: Inglês
10.1002/ange.201205040
ISSN1521-3757
AutoresDavid Dubbeldam, Rajamani Krishna, Sofı́a Calero, Ahmet Özgür Yazaydın,
Tópico(s)Covalent Organic Framework Applications
ResumoAngewandte ChemieVolume 124, Issue 47 p. 12037-12041 Zuschrift Computer-Assisted Screening of Ordered Crystalline Nanoporous Adsorbents for Separation of Alkane Isomers† Dr. David Dubbeldam, Corresponding Author Dr. David Dubbeldam [email protected] Van't Hoff Institute for Molecular Sciences, University of Amsterdam, Science Park 904, 1098 XH Amsterdam (The Netherlands) http://molsim.chem.uva.nlVan't Hoff Institute for Molecular Sciences, University of Amsterdam, Science Park 904, 1098 XH Amsterdam (The Netherlands) http://molsim.chem.uva.nlSearch for more papers by this authorProf. Dr. Rajamani Krishna, Prof. Dr. Rajamani Krishna Van't Hoff Institute for Molecular Sciences, University of Amsterdam, Science Park 904, 1098 XH Amsterdam (The Netherlands) http://molsim.chem.uva.nlSearch for more papers by this authorProf. Dr. Sofía Calero, Prof. Dr. Sofía Calero Departamento de Sistemas Físicos, Químicos y Naturales, Universidad Pablo de Olavide, Sevilla (Spain)Search for more papers by this authorDr. Ahmet Özgür Yazaydın, Dr. Ahmet Özgür Yazaydın Department of Chemical Engineering, University of Surrey (UK)Search for more papers by this author Dr. David Dubbeldam, Corresponding Author Dr. David Dubbeldam [email protected] Van't Hoff Institute for Molecular Sciences, University of Amsterdam, Science Park 904, 1098 XH Amsterdam (The Netherlands) http://molsim.chem.uva.nlVan't Hoff Institute for Molecular Sciences, University of Amsterdam, Science Park 904, 1098 XH Amsterdam (The Netherlands) http://molsim.chem.uva.nlSearch for more papers by this authorProf. Dr. Rajamani Krishna, Prof. Dr. Rajamani Krishna Van't Hoff Institute for Molecular Sciences, University of Amsterdam, Science Park 904, 1098 XH Amsterdam (The Netherlands) http://molsim.chem.uva.nlSearch for more papers by this authorProf. Dr. Sofía Calero, Prof. Dr. Sofía Calero Departamento de Sistemas Físicos, Químicos y Naturales, Universidad Pablo de Olavide, Sevilla (Spain)Search for more papers by this authorDr. Ahmet Özgür Yazaydın, Dr. Ahmet Özgür Yazaydın Department of Chemical Engineering, University of Surrey (UK)Search for more papers by this author First published: 19 October 2012 https://doi.org/10.1002/ange.201205040Citations: 16 † This work is supported by the Netherlands Research Council for Chemical Sciences (NWO/CW) through a VIDI grant (D.D.) and by the European Research Council through an ERC Starting Grant (S.C.). A.O.Y. acknowledges a Marie Curie International Reintegration Grant from the European Commission. Read the full textAboutPDF ToolsRequest permissionAdd to favorites ShareShare Give accessShare full text accessShare full-text accessPlease review our Terms and Conditions of Use and check box below to share full-text version of article.I have read and accept the Wiley Online Library Terms and Conditions of UseShareable LinkUse the link below to share a full-text version of this article with your friends and colleagues. Learn more.Copy URL Share a linkShare onEmailFacebookTwitterLinkedInRedditWechat Graphical Abstract Die richtigen Ketten finden: Doppelt verzweigte Alkane von den linearen und einfach verzweigten Isomeren zu trennen, ist wichtig für die Produktion von hochoktanigem Benzin. Beim Screening einer großen Zahl an Adsorbentien, darunter Zeolithe, MOFs, COFs und ZIFs (siehe Schema), mithilfe moderner Computertechniken wurde ZIF-77 als bestes Adsorbens identifiziert. Mit ihm lassen sich Isomerenmischungen nach dem Verzweigungsgrad trennen. Supporting Information Detailed facts of importance to specialist readers are published as ”Supporting Information”. Such documents are peer-reviewed, but not copy-edited or typeset. They are made available as submitted by the authors. Filename Description ange_201205040_sm_cfi_pulse.mov476.8 KB cfi_pulse ange_201205040_sm_cfi.mov1.8 MB cfi ange_201205040_sm_cobdp_pulse.mov1.2 MB cobdp_pulse ange_201205040_sm_cobdp.mov1.7 MB cobdp ange_201205040_sm_mfi_pulse.mov541.8 KB mfi_pulse ange_201205040_sm_mfi.mov1.2 MB mfi ange_201205040_sm_mgmof-74_pulse.mov809.2 KB mgmof-74_pulse ange_201205040_sm_mgmof-74.mov1.4 MB mgmof-74 ange_201205040_sm_miscellaneous_information.pdf20.3 MB miscellaneous_information ange_201205040_sm_uio-66_pulse.mov384.7 KB uio-66_pulse ange_201205040_sm_uio-66.mov2.5 MB uio-66 ange_201205040_sm_zif-77_13_component_pulse.mov2.9 MB zif-77_13_component_pulse ange_201205040_sm_zif-77_15_component_pulse.mov3 MB zif-77_15_component_pulse ange_201205040_sm_zif-77_pulse.mov1.7 MB zif-77_pulse ange_201205040_sm_zif-77.mov1.9 MB zif-77 ange_201205040_sm_zif-8_pulse.mov575.8 KB zif-8_pulse Please note: The publisher is not responsible for the content or functionality of any supporting information supplied by the authors. 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