Publications

Results 1-20 of 36

Issue DateTitleTypeAuthor(s)
1Jul-2021Fulltext availableOpen AccessConnecting theory and simulation with experiment for the study of diffusion in nanoporous solidsArticleBukowski, Brandon C. ; Keil, Frerich ; Ravikovitch, Peter I. ; Sastre, German ; Snurr, Randall Q. ; Coppens, Marc-Olivier 
221-May-2021Kinetic modeling of nitrous oxide decomposition on Fe-ZSM-5 in the presence of nitric oxide based on parameters obtained from first-principles calculationsArticleAranifard, Sara ; Bell, Alexis T. ; Keil, Frerich ; Heyden, Andreas 
331-Mar-2021Recent advances in CO2 hydrogenation to value-added products : current challenges and future directionsReview (Article)Saeidi, Samrand ; Najari, Sara ; Hessel, Volker ; Wilson, Karen ; Keil, Frerich J. ; Concepción, Patricia ; Suib, Steven L. ; Rodrigues‬, Alírio E. 
415-Dec-2020Kinetic parameters estimation via dragonfly algorithm (DA) and comparison of cylindrical and spherical reactors performance for CO₂ hydrogenation to hydrocarbonsArticleNajari, Sara ; Saeidi, Samrand ; Gróf, Gyula ; Keil, Frerich ; Rodrigues‬, Alírio E. 
513-Nov-2020Rigorous lower bounds for the ground state energy of molecules by employing necessary N-representability conditionsArticleChaykin, Denis ; Jansson, Christian ; Keil, Frerich ; Lange, Marko ; Ohlhus, Kai Torben  ; Rump, Siegfried M.  
6Jul-2020Process intensification education contributes to sustainable development goals: Part 1ArticleFernandez Rivas, David ; Boffito, Daria C. ; Faria-Albanese, Jimmy ; Glassey, Jarka ; Afraz, Nona ; Akse, Henk ; Boodhoo, Kamelia V.K. ; Bos, Rene ; Cantin, Judith ; Chiang, Yi Wai ; Commenge, Jean Marc ; Dubois, Jean Luc ; Galli, Federico ; Gueneau de Mussy, Jean Paul ; Harmsen, Jan ; Kalra, Siddharth ; Keil, Frerich ; Morales-Menendez, Ruben ; Navarro-Brull, Francisco J. ; Noël, Timothy ; Ogden, Kim ; Patience, Gregory S. ; Reay, David ; Santos, Rafael M. ; Smith-Schoettker, Ashley ; Stankiewicz, Andrzej I. ; Berg, Henk van den ; Van Gerven, Tom ; Gestel, Jeroen van ; Stelt, Michiel van der ; Ven, Mark van de ; Weber, Robert S. 
723-May-2020Fulltext availableOpen AccessProcess intensification education contributes to sustainable development goals: Part 2ArticleFernandez Rivas, David ; Boffito, Daria C. ; Faria-Albanese, Jimmy ; Glassey, Jarka ; Cantin, Judith ; Afraz, Nona ; Akse, Henk ; Boodhoo, Kamelia ; Bos, Rene ; Chiang, Yi Wai ; Commenge, Jean Marc ; Dubois, Jean Luc ; Galli, Federico ; Harmsen, Jan ; Kalra, Siddharth ; Keil, Frerich ; Morales-Menendez, Ruben ; Navarro-Brull, Francisco J. ; Noël, Timothy ; Ogden, Kimberly L. ; Patience, Gregory S. ; Reay, David A. ; Santos, Rafael M. ; Smith-Schoettker, Ashley ; Stankiewicz, Andrzej ; Berg, Henk van den ; Van Gerven, Tom ; Gestel, Jeroen van ; Weber, Robert S. 
816-Jan-2020Deactivation and regeneration of Claus catalyst particles unraveled by pore network modelArticleLiu, Xinlei ; Zhang, Qunfeng ; Ye, Guanghua ; Li, Jinjin ; Li, Ping ; Zhou, Xinggui ; Keil, Frerich 
91-Oct-2019Optimizing catalyst pore network structure in the presence of deactivation by cokingArticleYe, Guanghua ; Wang, Haizhi ; Zhou, Xinggui ; Keil, Frerich ; Coppens, Marc Olivier ; Yuan, Weikang 
10Oct-2019Enhanced performance of catalyst pellets for methane dry reforming by engineering pore network structureArticleLiu, Xinlei ; Wang, Hailang ; Ye, Guanghua ; Zhou, Xinggui ; Keil, Frerich 
1111-Jun-2019Ethylene Hydrogenation in Pellets with Different Pore Structures, Measured in a One-Sided Single-Pellet ReactorArticleArgönül, Aykut ; Keil, Frerich 
124-Apr-2019Diffusion of Water and Carbon Dioxide and Mixtures Thereof in Mg-MOF-74ArticleBendt, Stephan ; Dong, Ying  ; Keil, Frerich 
132018Molecular modelling for reactor designArticleKeil, Frerich 
1419-Dec-2017Process intensificationArticleKeil, Frerich 
15Nov-2016Rigorous results in electronic structure calculationsArticleChaykin, Denis ; Jansson, Christian ; Keil, Frerich ; Lange, Marko ; Ohlhus, Kai Torben  ; Rump, Siegfried M.  
161-Apr-2016A dynamic bifurcation criterion for thermal runaway during the flash sintering of ceramicsArticlePereira da Silva, João Gustavo ; Al-Qureshi, Hazim Ali ; Keil, Frerich ; Janßen, Rolf 
1713-Mar-2016Effect of the catalyst pore structure on fixed-bed reactor performance of partial oxidation of n-butane: A simulation studyArticleDong, Ying  ; Keil, Frerich ; Korup, Oliver ; Rosowski, Frank ; Horn, Raimund 
182016Olefin/Paraffin Separation Potential of ZIF-9 and ZIF-71: A Combined Experimental and Theoretical StudyArticleBendt, Stephan ; Hovestadt, Maximilian ; Böhme, Ulrike ; Paula, Carolin ; Döpken, Merle ; Hartmann, Martin ; Keil, Frerich 
192016Pyrite nanoparticles: An Earth-abundant mineral catalyst for activation of molecular hydrogen and hydrogenation of nitroaromaticsArticleMa, Ben ; Tong, Xili ; Guo, Congxiu ; Guo, Xiaoning ; Guo, Xiangyun ; Keil, Frerich 
2031-Dec-2015Hexane Cracking on ZSM-5 and Faujasite Zeolites: A QM/MM/QCT StudyArticleTranca, Diana C. ; Zimmerman, P. M. ; Gomes, J. ; Lambrecht, D. ; Keil, Frerich ; Head-Gordon, Martin ; Bell, Alexis T.