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第329回化学システム工学専攻公開セミナー Solid-State NMR: a Key Tool to Probe Local Structures, Electronic Structures and Defects in Battery Materials

2018年9月18日(火) 14:30-15:00
東京大学 工学部3号館 6階 6C07会議室
講演題目 Solid-State NMR: a Key Tool to Probe Local Structures, Electronic Structures and Defects in Battery Materials
講演者 Prof. Dany CARLIER
University of Bordeaux
概要 For energy storage, nowadays, Li-ion and Na-ion batteries are major technologies for mobility applications and also for large-scale storage of energy and their integration in the grid. In the scope of finding new positive electrode materials with improved performances, the deep understanding of the link between their structure, electronic structure and electrochemical behavior is crucial. As the presence of defects or disorder may play a critical role, a local characterization of the materials is highly required. To that extent, Magic Angle Spinning Nuclear Magnetic Resonance (MAS-NMR) appeared to be a key tool. For paramagnetic materials, it allows to probe both, the local structure and the local electronic structure thanks to the Fermi contact interaction. In order to assign the signals and understand the spin transfer mechanism through the chemical bonds, we have been developed the use of ab initio calculations for some years.
Some recent studies of the characterization of defects or disorder in layered oxides or V-phosphate materials will be presented. Using MAS-NMR we showed that several phosphate materials as LiVPO4F, or Na3V2(PO4)2F3, which are promising materials for positive electrode application in Li-ion and Na-ion batteries respectively, exhibit some O-defects leading to the formation of V4+ ions locally. These V4+ ions are forming a vanadyl-type bond with the defect O, and affect the electrochemical cycling performances. Using 27Al MAS NMR we also recently characterized the Al-doping homogeneity in LiCoO2 depending on the synthesis conditions.
世話人 山田淳夫(内線27295)


2018年9月7日(金) 13:00-14:15
東京大学 工学部3号館 6階大会議室3(6B04号室)
講演者 Associate Professor Ir Dr Show Pau-Loke
Department of Chemical and Environmental Engineering, Faculty of Engineering, University of Nottingham Malaysia Campus, 43500 Semenyih, Selangor, Malaysia.
概要 In recent year, Liquid Biphasic Partitioning System (LBPS) has become a proven tool used in separation and purification technology. The application of LBPSs in clarification, partitioning and partial purification of biomolecules and bioproducts had showed the rapid development. This method is able to give high recovery yield and high purity in a single step. The LBPS shows characteristics of high selectivity and is easily to scale up. Therefore, LBPS offers an attractive alternative that meets the requirements of the high demand in industry processes and it is also beneficial in terms of economic and environmental protection. In the past, a lot of works and researches have been done in order to develop feasible separation processes using different types of LBPSs and their applications in numerous product separations. This presentation aims to share on the recent literature works in the development of different type of LBPSs and their applications in novel separations and purifications of biomaterials.
世話人 菊池 康紀(内線21597)

第326回化学システム工学専攻公開セミナー High-Fidelity Modelling, Simulation and Dynamic Optimisation for Smart Bioproducts Manufacturing: A Case of Beer

2018年7月27日(金) 10:00~11:30
東京大学 本郷キャンパス 工3号館 小会議室1(6C02号室)
講演題目 High-Fidelity Modelling, Simulation and Dynamic Optimisation for Smart Bioproducts Manufacturing: A Case of Beer
講演者 Dr. Dimitrios Gerogiorgis
Senior Lecturer, The University of Edinburgh
概要 Bioprocesses (especially fermentation) form the cornerstone of several food, drink and biopharmaceutical production lines of global importance, as food safety and healthcare availability are recognized Grand Challenges. The importance of high-fidelity modelling and robust model-based optimisation of these plants is ever-increasing. At the same time, Smart Manufacturing emerges as a ground-breaking technology which can invigorate industrial competitiveness in multiple sectors (food and drink, healthcare, consumer products). This seminar will focus on recent successful applications of process systems engineering methodologies (process synthesis, modelling, and most importantly dynamic simulation, optimisation and visualisation) towards evaluating and improving technical efficiency and operability of multiphase bioprocesses (with a particular emphasis on dynamic optimisation of beer, but also enzymatic keratin hydrolysis). The recent experience of industrial collaboration with a major multinational corporation (Molson Coors) under the auspices of a Royal Academy of Engineering (RAEng) Industrial Fellowship will be discussed.
世話人 杉山 弘和(内線27227)

第325回化学システム工学専攻公開セミナー Energy Research & High Impact Publishing in Joule

2018年6月25日(月) 15:00~16:30
東京大学 本郷キャンパス 工3号館 大会議室1(6C07号室)
講演題目 Energy Research & High Impact Publishing in Joule
講演者 Dr. Changrong Zhu
CellPress, Associate Editor of Joule
概要 In this talk I will offer a unique insight into the publishing process of a high-impact energy journal, from the perspective of a recent energy researcher-turned-editor. I will first introduce Joule, the new high-impact energy journal from Cell Press, and our Editorial team. Next, I will motivate and demonstrate Joule’s strong interest in serving the energy research community in China. I will then shed light on the life of a scientific editor, the manuscript life cycle, and the peer review process. Finally, I will give additional detail describing editor considerations when evaluating manuscripts and provide advice to authors from an editor’s point of view.
世話人 山田 淳夫(内線27295)

第324回化学システム工学専攻公開セミナー Combining Theory and Experiment to Understand the Interaction and Catalytic Potential of Atomically-Precise Metal Clusters on TiO2

2018年6月28日(木) 16:30~18:00
東京大学 本郷キャンパス 工学部5号館 3階 第4輪講室(337号室)
講演題目 Combining Theory and Experiment to Understand the Interaction and Catalytic Potential of Atomically-Precise Metal Clusters on TiO2
講演者 Prof. Gregory F. Metha
Professor, Metal Cluster & Nanoparticle Laboratory, Department of Chemistry, University of Adelaide, AUSTRALIA
概要 It has been known for three decades that gold nanoparticles less than 2 nm in size are catalytically active. More recently, strong evidence is emerging that it is the very small gold clusters, comprising only a dozen or so gold atoms, that are responsible for most of the activity of catalysts prepared by crude methods, even though such small clusters constitute <1% of the total gold content on the surface. We are exploring the interaction of a range of metal clusters such as Au8, Au9, Au6Pd, Ru3, Ru4 and AuRu3, that are ligand stabilised and experimentally confirmed to have precisely defined metal cores, with various TiO2 substrates and to consider their potential as co-catalysts in catalytic and photocatalytic processes.
This presentation will describe our characterisation of several metal cluster systems including synchrotron-based far-IR and X-ray photoelectron spectroscopies, metastable helium induced electron spectroscopy, as well as atomic force microscopy and scanning transmission electron microscopy to analyse metal cluster-based (photo-)catalytic materials. We use density functional theory (DFT) to model and calculate properties of the initial metal cluster as well as the interaction between cluster and TiO2 substrate. The calculations provide density of states (DOS) information to assist with analysis of the spectroscopy data. Crucial to the comparison of calculated versus experimental properties is the benchmarking procedures that we have developed. We are also using time-dependent DFT to model excited state electron transfer and chemical reactivity on the excited state surface, and DFT-Tight Binding to calculate larger systems.
世話人 堂免 一成(内線21148)

第323回化学システム工学専攻公開セミナー 高性能蓄電池の電気化学と材料化学

2018年6月27日(水) 16:50~18:35
東京大学 本郷キャンパス 工5号館 54号講義室
講演題目 高性能蓄電池の電気化学と材料化学
講演者 駒場 慎一 教授
東京理科大学 応用化学科
概要 蓄電池は,携帯機器から交通輸送,自然エネルギーの蓄電など広く応用され,その用途は益々広がっている.既に実用化されているリチウムイオン蓄電池の歴史にも触れながら,希少元素や毒性元素を使わない新型蓄電池の研究開発について,演者らの最近の研究例を中心に紹介する.
世話人 山田 淳夫(内線27295)

第322回化学システム工学専攻公開セミナー Energy Storage: Current and Future

東京大学 本郷キャンパス 工3号館 大会議室1(6C07号室)
講演題目 Energy Storage: Current and Future
講演者 Prof. Yang Shao-Horn
W.M. Keck Professor of Energy at the Massachusetts Institute of Technology (M.I.T.)
概要 Electrochemistry is used widely today, spanning from production of hydrogen and metals such as aluminum and Li-ion batteries. We will discuss current and future opportunities in using electrochemistry to power cars and buildings, and to make chemicals and fuels with energy from the Sun. Research towards establishing design principles in controlling reaction kinetics at the interface, and ion mobility in ion conductors, central to the functions of electrochemical devices, will be presented.
世話人 山田 淳夫(内線27295)

第321回化学システム工学専攻公開セミナー 安全・安心のための火災・爆発現象の解明に関する研究

2018年6月18日(月) 13:00~14:30
東京大学 本郷キャンパス 工3号館 大会議室2(6C06号室)
講演題目 安全・安心のための火災・爆発現象の解明に関する研究
講演者 茂木 俊夫
概要 現代社会で燃料や化学原料などとして使われる可燃性ガスや液体は火災・爆発災害を起こす危険性がある。メタンやプロパンといった可燃性ガスは,一般家庭や化学プラント等まで幅広く用いられており,特に水素はエネルギーキャリアとして期待されており,水素燃料電池自動車等さまざまな利用が検討されている.その一方で,可燃性ガスが漏えいすると気流により空気と混合しながら移流,拡散し,可燃性混合気が形成されて着火した場合には,火炎が瞬間的に拡がり爆発火災となる.災害の発生要因や爆発威力等のフィジカルハザードを科学的に明らかにするためには,燃焼学によるアプローチが必要であると考えられる.本セミナーでは,これまで行ってきた可燃性ガスの火災・爆発現象に関する研究の紹介と,安全・安心な社会実現のためのこれからの研究の展望について述べる.
世話人 酒井 康行(内線27073)

第320回化学システム工学専攻公開セミナー 亜臨界・超臨界流体を利用した環境調和型の化学反応制御技術

2018年6月5日(火) 13:00~14:30
東京大学 本郷キャンパス 工3号館 大会議室3(6B04号室)
講演題目 亜臨界・超臨界流体を利用した環境調和型の化学反応制御技術
講演者 秋月 信
概要 物質の臨界点を超えた超臨界状態やその近傍の亜臨界状態にある高温高圧の流体は、密度や比誘電率といった溶媒物性、また粘度や拡散係数といった輸送物性が、温度と圧力によって大きく可変という特徴を持つ。特に水や二酸化炭素、アルコールは、低毒性かつ安価というそれら物質の特徴と相まって、有機合成反応や未利用資源変換、廃棄物処理やリサイクル、無機材料合成における環境調和型の反応場として、幅広い利用が期待されている。 本セミナーでは、演者らがこれまでに取り組んできた高温高圧の水を溶媒とした有機合成反応・固体触媒反応の研究を中心に、高温高圧流体の興味深い特徴とその可変性を利用した化学反応制御について紹介する。また高温高圧流体を利用した化学反応プロセスの今後の展望について述べる。
世話人 酒井 康行(内線27073)