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X International Conference “Mechanisms of Catalytic Reactions” Boreskov Institute of Catalysis SB RAS, Novosibirsk, Russia Zelinsky Institute of Organic Chemistry RAS, Moscow, Russia Lomonosov Moscow State University, Moscow, Russia 2016 X International Conference “Mechanisms of Catalytic Reactions” Svetlogorsk, Kaliningrad Region, Russia October 2 - 6, 2016 ABSTRACTS Novosibirsk-2016 Boreskov Institute of Catalysis SB RAS, Novosibirsk, Russia Zelinsky Institute of Organic Chemistry RAS, Moscow, Russia Lomonosov Moscow State University, Moscow, Russia X International Conference “Mechanisms of Catalytic Reactions” Svetlogorsk, Kaliningrad Region, Russia October 2 - 6, 2016 ABSTRACTS Novosibirsk-2016 УДК 544.47+66.09 ББК Г544 M45 Mechanisms of Catalytic Reactions. X International Conference (MCR-X). (October 2 - 6, 2016, Svetlogorsk, Kaliningrad Region, Russia) [Electronic resourse]: Book of abstracts / Boreskov Institute of Catalysis SB RAS ed.: prof. V.I. Bukhtiyarov, - Novosibirsk: BIC, 2016. p.328, – 1 electronic optical disc (CD-R). ISBN 978-5-906376-15-2 В надзаг.: Boreskov Institute of Catalysis SB RAS, Novosibirsk, Russia Zelinsky Institute of Organic Chemistry RAS, Moscow, Russia Lomonosov Moscow State University, Moscow, Russia Topics of book: – First-principles approach, theory and simulation in catalysis; – Advanced methods for studies of mechanisms of catalyzed reactions; – In-situ and operando studies of model and real catalysts; – Kinetics and reaction intermediates of catalyzed processes; – From mechanistic studies to design of advanced catalyst systems. The Conference is accompanied by the School-Symposium of young scientists "Quantum-mechanical modeling of catalytic processes". УДК 544.47+66.09 ББК Г544 ISBN 978-5-906376-15-2 © Boreskov Institute of Catalysis, 2016 CONFERENCE ORGANIZERS D Federal Agency for Scientific Organizations, Russia D Boreskov Institute of Catalysis, Novosibirsk, Russia D Immanuel Kant Baltic Federal University, Kaliningrad, Russia D Zelinsky Institute of Organic Chemistry, Moscow, Russia D Lomonosov Moscow State University, Moscow, Russia D Novosibirsk State University, Novosibirsk, Russia D Scientific Council on Catalysis RAS, Moscow, Russia D Mendeleev Chemical Society of Republic ofTatarstan, Kazan, Russia <l> EllEPAJlbHOE AfEH CTBO HAY'tHbIX OPfAHH3AU Ht't: UNDER THE AUSPICES OF European Federation of Catalysis Societies £FCATS National Catalytic Society of Russia FINANCIAL SUPPORT Russian Foundation for Basic Research GENERAL OFFICIAL HONORARY CONFERENCE PARTNER CONFERENCE PARTNER CONGRESS PAR1NER ~ •:• Pharmcontracf SPe CS™ e • e group of companies ·5/ Agilent Technologies l_... ..,. ...... ,. ..~ Reolgrade Service Ltd. Pharmcontract Media Ltd. Specs Surface Nano Analysis Gmbh CONFERENCEPAR1NER ~ FRDnTIER LAB Frontier Laboratories Ltd. CATACON Co. Ltd. Scientific Committee Valentin P. Ananikov, Zelinsky Institute of Organic Chemistry, RAS, Moscow, Russia Miguel A. Bañares, ICP-CSIC, Madrid, Spain Alexis T. Bell, University of California, Berkeley, USA Konstantin P. Bryliakov, Boreskov Institute of Catalysis SB RAS, Novosibirsk, Russia Valerii I. Bukhtiyarov, Boreskov Institute of Catalysis SB RAS, Novosibirsk, Russia Irina I. Ivanova, Topchiev Institute of Petrochemical Synthesis RAS, Moscow, Russia Vasily V. Kaichev, Boreskov Institute of Catalysis SB RAS, Novosibirsk, Russia Ekaterina A. Kozlova, Boreskov Institute of Catalysis SB RAS, Novosibirsk, Russia Valery V. Lunin, Lomonosov Moscow State University, Moscow, Russia Ilya I. Moiseev, Gubkin Russian State University of Oil and Gas, Moscow, Russia Dmitry Yu. Murzin, Åbo Akademi University, Turku, Finland Konstantin M. Neyman, ICREA & University of Barcelona, Barcelona, Spain Emrah Ozensoy, Bilkent University, Ankara, Turkey Valentin N. Parmon, Boreskov Institute of Catalysis SB RAS, Novosibirsk, Russia Günther Rupprechter, Vienna University of Technology, Vienna, Austria Philippe Sautet, University of Lyon, Lyon, France Robert Schlögl, Fritz Haber Institute of the Max Planck Society, Max Planck Institute for Chemical Energy Conversion, Germany Mikhail Yu. Sinev, Semenov Institute of Chemical Physics RAS, Moscow, Russia Aleksander Yu. Stakheev, Zelinsky Institute of Organic Chemistry, RAS, Moscow, Russia Malgorzata Witko, Institute of Catalysis and Surface Chemistry, Krakow, Poland Organizing Committee Chairman: V.I. Bukhtiyarov, Boreskov Institute of Catalysis SB RAS, Novosibirsk, Russia Vice chairman: A.V. Yurov, Immanuel Kant Baltic Federal University, Kaliningrad, Russia Members: K.P. Bryliakov, Boreskov Institute of Catalysis SB RAS, Novosibirsk, Russia V.V. Kaichev, Boreskov Institute of Catalysis SB RAS, Novosibirsk, Russia A.A. Karasik, Arbuzov Institute of Organic and Physical Chemistry RAS, Kazan, Russia E.A. Kozlova, Boreskov Institute of Catalysis SB RAS, Novosibirsk, Russia V.N. Leitsin, Immanuel Kant Baltic Federal University, Kaliningrad, Russia E.S. Lokteva, Lomonosov Moscow State University, Moscow, Russia A.A. Saraev, Boreskov Institute of Catalysis SB RAS, Novosibirsk, Russia A.V. Matveev, Novosibirsk State University, Novosibirsk, Russia V.V. Savin, Immanuel Kant Baltic Federal University, Kaliningrad, Russia L.Ya. Startseva, Boreskov Institute of Catalysis SB RAS, Novosibirsk, Russia O.V. Turova, Zelinsky Institute of Organic Chemistry RAS, Moscow, Russia Secretariat: А.A. Eremenko, Immanuel Kant Baltic Federal University, Kaliningrad, Russia M.A. Klyusa, Boreskov Institute of Catalysis SB RAS, Novosibirsk, Russia D.A. Omelyanovich, Immanuel Kant Baltic Federal University, Kaliningrad, Russia M.S. Suvorova, Boreskov Institute of Catalysis SB RAS, Novosibirsk, Russia PLENARY LECTURES PL-1 Catalysis and Energetics: Experience of the Boreskov Institute of Catalysis Parmon V.N. Boreskov Institute of Catalysis SB RAS, Novosibirsk, Russia [email protected] The presentation concerns the experience of the Boreskov Institute of Catalysis (BIC) in the development of catalysts and catalytic technologies for the production of high-quality fuel from the traditional raw hydrocarbons, as well as for processing of associated petroleum gas and application of catalytic processes for energetics of the future. Specifically, under discussion are BIC’s proprietary ecologically sound coal-burning thermal power plants based on catalytic burning of different, including low-calorific, fuels; synthesis of high-quality fuel from renewable plant resources; application of reversible thermocatalytic processes for high- efficient direct conversion of nuclear and concentrated solar energy into chemical energy. Under discussion are problems of quantum transformation of solar-to-chemical energy via creation of artificial photocatalytic systems mimicking the natural photosynthesis in plants and bacteria. The BIC experience of a considerable improvement in the utilization of motor fuel through its pre-conversion to synthesis gas using car-board catalytic processors is discussed, too. Another example under consideration is the possibility of efficient recuperation of low-potential heat through its accumulation by composite materials such as selective water sorbents. 7 PL-2 Electron Microscopy Advances in Catalysis Helveg S. Haldor Topsoe A/S, Haldor Topsøes Allé 1, Kgs. Lyngby, Denmark [email protected] In recent years, electron microscopy has made significant progress for the study of heterogeneous catalysts. With advancements in electron optics and data acquisition, electron microscopy has become capable of delivering images with atomic resolution and sensitivity [1,2]. Parallel developments of gas cells have made electron microscopy available for in situ observations of catalysts during exposure to reactive gas environments at pressures up to atmospheric levels and temperatures of up to several hundred centigrade [3-5]. It is desirable to take advantage of these technologies as they offer new insight into the dynamics and reactivity of catalysts at the atomic-scale and in chemical meaningful environment. Moreover, in combination with concurrent measurements of the catalytic functionality, electron microscopy opens up new possibilities for “live” observations of structure-sensitive functional behaviour in catalysis. In this contribution, I will present such recent advances in electron microscopy and illustrate their benefits for catalysis research by studies from our laboratories [2-10]. References: [1] C. Kisielowski, Q.M. ramasse, L.P. Hansen, M. Brorson, A. Carlsson, A.M. Molenbroek, H. Topsøe, S. Helveg, Angew. Chem. Int. Ed. 49 (2010) 2708. [2] Y. Zhu, Q.M. Ramasse, M. Brorson, P.G. Moses, L.P. Hansen, C.F. Kisielowski, S. Helveg, Angew. Chem. Int. Ed. 53 (2014) 10723 [3] J.R. Jinschek, S. Helveg, Micron 43 (2012) 1156. [4] S. Helveg, C.F. Kisielowski, J.R. Jinschek, P. Specht, G. Yuan, H. Frei, Micron 68 (2015) 176. [5] J.F. Creemer, S. Helveg, G.H. Hoveling, S. Ullmann, A.M. Molenbroek, P.M. Sarro, H.W. Zandbergen, Ultramicroscopy 108 (2008) 993. [6] S.B. Simonsen, I. Chorkendorff, S. Dahl, M. Skoglundh, J. Sehested, S. Helveg, J. Am. Chem. Soc. 132 (2010) 7968 [7] L.P. Hansen, E. Johnson, M. Brorson, S. Helveg, J. Phys. Chem. C 118 (2015) 22768. [8] S.B. Vendelbo, C.F. Elkjær, H. Falsig, I. Puspitasari, P. Dona, L. Mele, B. Morana, B.J. Nelissen, R. van Rijn, J.F. Creemer, P.J. Kooyman, S. Helveg, Nature Mater. 13 (2014) 884 [9] R. van den Berg, C.F. Elkjær, C.J. Gommes, I. Chorkendorff, J. Sehested, P.E. de Jongh, K.P. de Jong, S. Helveg, J. Am. Chem. Soc. 138 (2016) 3433 [10] J. Wu, S. Helveg, S. Ullmann, Z. Peng, A.T. Bell, J. Catal. 338 (2016) 295 8 PL-3 Halogen Chemistry on Catalytic
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