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Corrigendum to “Assessing the capability of continuum and discrete particle methods to simulate gas-solids flow using DNS predictions as a benchmark” [Powder technology 321 (2017) 301–309]

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Powder Technology 2019年 349卷 109-109页

作者： Liqiang Lu Xiaowen Liu Tingwen Li Limin Wang Wei Ge National Energy Technology Laboratory Morgantown 26507 West Virginia United States State Key Laboratory of Multiphase Complex Systems Institute of Process Engineering (IPE) Chinese Academy of Sciences (CAS) Beijing 100190 China University of Chinese Academy of Sciences Beijing 100049 China AECOM Morgantown 26505 West Virginia United States

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Ausgeprägte Nahordnung in kleinen amorphen Calciumcarbonat‐Clustern (<2 nm)

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Angewandte Chemie 2016年第40期128卷

作者： Shengtong Sun Daniel M. Chevrier Peng Zhang Denis Gebauer Helmut Cölfen Physikalische Chemie Universität Konstanz Universitätsstraße 10 78457 Konstanz Deutschland School of Chemical Engineering State Key Laboratory of Chemical Engineering Shanghai Key Laboratory of Multiphase Materials Chemical Engineering East China University of Science and Technology 130 Meilong Road Shanghai 200237 Volksrepublik China Department of Chemistry and Institute for Research in Materials Dalhousie University Halifax Nova Scotia B3H 4R2 Kanada

Amorphe Zwischenphasen sind wichtige Vorstufen bei der Kristallisation vieler biogener Minerale. Obwohl bereits gezeigt werden konnte, dass amorphe Calciumcarbonate (ACC) eine inhärente Nahordnung aufweisen, die unterschiedlichen kristallinen Formen zugeordnet werden kann, wurde bisher noch nie experimentell bestätigt, ob solche Nahordnungen bereits in sehr kleinen Clustern (<2 nm) vorkommen. Hier wurde die Stabilität und Struktur von 10,12‐Pentacosadiinsäure(PCDA)‐geschützten ACC‐Clustern untersucht, die eine Kerngröße von ca. 1.4 nm aufweisen und aus nur 7 CaCO 3 ‐Einheiten bestehen. Die Ligandenkonzentration und ‐struktur spielt eine Schlüsselrolle bei der Stabilisierung dieser ACC‐Cluster. Schon solch kleine CaCO 3 ‐Einheiten weisen eine Proto‐Calcit‐Nahordnung auf, wenn auch mit relativ hoher Unordnung. Dies legt nahe, dass ein struktureller Zusammenhang zwischen Pränukleationsclustern, amorphen Zwischenstufen und dem fertigen kristallinen Polymorph besteht.

关键词： Amorphe Materialien Calciumcarbonat-Cluster Carboxylatliganden EXAFS Nahordnung

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Poly(ionic liquid)-Armored MXene Membrane: Interlayer engineering for Facilitated Water Transport

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Angewandte Chemie 2022年第27期134卷

作者： Ming Yi Mi Wang Prof. Yan Wang Prof. Yanlei Wang Jian Chang Atefeh Khorsand Kheirabad Hongyan He Prof. Jiayin Yuan Dr. Miao Zhang Key Laboratory of Material Chemistry for Energy Conversion and Storage Huazhong University of Science and Technology Wuhan 430074 P. R. China Hubei Key Laboratory of Material Chemistry and Service Failure School of Chemistry and Chemical Engineering Huazhong University of Science and Technology Wuhan 430074 P. R. China Department of Materials and Environmental Chemistry Stockholm University Stockholm 10691 Sweden Beijing Key Laboratory of Ionic Liquids Clean Process State Key Laboratory of Multiphase Complex Systems Institute of Process Engineering Chinese Academy of Sciences Beijing 100190 P. R. China

Two-dimensional (2D) MXene-based lamellar membranes bearing interlayers of tunable hydrophilicity are promising for high-performance water purification. The current challenge lies in how to engineer the pore wall's surface properties in the subnano-confinement environment while ensuring its high selectivity. Herein, poly(ionic liquid)s, equipped with readily exchangeable counter anions, succeeded as a hydrophilicity modifier in addressing this issue. Lamellar membranes bearing nanochannels of tailorable hydrophilicity are constructed via assembly of poly(ionic liquid)-armored MXene nanosheets. By shifting the interlayer galleries from being hydrophilic to more hydrophobic via simple anion exchange, the MXene membrane performs drastically better for both the permeance (by two-fold improvement) and rejection (≈99 %). This facile method opens up a new avenue for building 2D material-based membranes of enhancing molecular transport and sieving effect.

关键词： Anion Exchange Assembly MXene Nanochannel Hydrophilicity Poly(Ionic Liquid)

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Machine Learning and Physics-Driven Modelling and Simulation of multiphase Systems

SSRN

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SSRN 2024年

作者： Basha, Nausheen Arcucci, Rossella Angeli, Panagiota Anastasiou, Charitos Abadie, Thomas Casas, César Quilodrán Chen, Jianhua Cheng, Sibo Chagot, Loïc Galvanin, Federico Heaney, Claire E. Hossein, Fria Hu, Jinwei Kovalchuk, Nina Kalli, Maria Kahouadji, Lyes Kerhouant, Morgan Lavino, Alessio Liang, Fuyue Nathanael, Konstantia Magri, Luca Lettieri, Paola Materazzi, Massimiliano Erigo, Matteo Pico, Paula Pain, Christopher C. Shams, Mosayeb Simmons, Mark Traverso, Tullio Valdes, Juan Pablo Wolffs, Zef Zhu, Kewei Zhuang, Yilin Matar, Omar K. Department of Chemical Engineering Imperial College London United Kingdom Department of Earth Science & Engineering Imperial College London United Kingdom Department of Chemical Engineering University College London United Kingdom School of Chemical Engineering University of Birmingham United Kingdom Data Science Institute Department of Computing Imperial College London United Kingdom State Key Laboratory of Multiphase Complex Systems Institute of Process Engineering Chinese Academy of Sciences Beijing China Centre for AI-Physics Modelling Imperial-X White City Campus Imperial College London United Kingdom The Alan Turing Institute British Library 96 Euston Road LondonNW1 2DB United Kingdom Department of Aeronautics Imperial College London United Kingdom Institute of Physics University of Amsterdam Science Park Amsterdam904 Netherlands Nikhef Science Park Amsterdam105 Netherlands Department of Computer Science University of York United Kingdom

We highlight the work of a multi-university collaborative programme, PREMIERE (PREdictive Modelling with QuantIfication of UncERtainty for multiphase Systems), which is at the intersection of multi-physics and machine learning, aiming to enhance predictive capabilities in complex multiphase flow systems across diverse length and time scales. Our contributions encompass a variety of approaches, including the Design of Experiments for nanoparticle synthesis optimisation, Generalised Latent Assimilation models for drop coalescence prediction, Bayesian regularised artificial neural networks, eXtreme Gradient Boosting for microdroplet formation prediction, and a sub-sampling based adversarial neural network for predicting slug flow behaviour in two-phase pipe flows. Additionally, we introduce a generalised latent assimilation technique, Long Short-Term Memory networks for sequence forecasting mixing performance in stirred and static mixers, active learning via Bayesian optimisation to recover coalescence model parameters for high current density electrolysers, Gaussian process regression for drop size distribution predictions for sprays, and acoustic emission signal inversion using gradient boosting machines to characterise particle size distribution in fluidised beds. We also offer perspectives on the development of a shape optimisation framework that leverages the use of a multi-fidelity multiphase emulator. The results presented have applications in chemical synthesis, microfluidics, product manufacturing, and green hydrogen generation. © 2024, The Authors. All rights reserved.

关键词： Forecasting

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Changes in relative permeability curves for natural gas hydrate decomposition due to particle migration

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Journal of Natural Gas Science and engineering 2020年 84卷

作者： Yushu Wang Yongfei Yang Ke Wang Liu Tao Jie Liu Chenchen Wang Jun Yao Kai Zhang Wenhui Song Key Laboratory of Unconventional Oil & Gas Development (China University of Petroleum (East China)) Ministry of Education Qingdao 266580 PR China Research Center of Multiphase Flow in Porous Media School of Petroleum Engineering China University of Petroleum (East China) Qingdao 266580 PR China Hubei Cooperative Innovation Center of Unconventional Oil and Gas Yangtze University Wuhan 430100 China

It is very important to study the fluid flow in a natural gas hydrate (NGH) reservoir for hydrate exploitation. During the decomposition of NGH, some particles fall off and flow with the fluid as a result of poor cementation , which usually leads to sand production in the hydrate mining process. In this study, a three-dimensional pore network model (PNM) was established to simulate the three-phase flow of the gas phase (CH 4 ), water phase, and solid phase (particles). Relevant parameters were set considering the deposition, blockage, and flow in the process of particle migration. Then, the gas–water relative permeability curves under different hydrate saturations, particle diameters, and particle numbers were obtained, considering the influence of the change in the pore-throat space during the hydrate decomposition process . The results showed that the gas–water relative permeability equal points (isotonic points) first turned toward the left and then to the right. The analysis results showed that particle deposition and blockage mainly influenced the relative permeability curves during the early period of the hydrate decomposition process. An increase in the pore-throat space was the main factor affecting the relative permeability curves in the late period of the hydrate decomposition process. Moreover, increasing the particle diameter and number of particles caused the isosmotic points of the relative permeability curves moving to the left as a whole because the pore-throat space decreased. Increasing the number of particles first affected the fluid flow in the hydrate reservoir when the temperature was 280 K, pressure was 5.76 MPa, and hydrate saturation was 0.48. In the actual hydrate mining process, this could cause sudden changes in the relative permeability and production. Thus, this condition needs to be avoided. It has important significance in reference to the process of hydrate mining with sand production.

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Calcined [email protected] @Rh x Ni 1- x : A novel hierarchically oriented composition tunable catalyst for green and sustainable hydrogen generation

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Journal of Environmental Chemical engineering 2022年第3期10卷

作者： Yasir Abbas Zareen Zuhra Sahresh Majeed Muhammad Shuaib Khan Majid Basharat Deependra Tyagi Shafqat Ali Zhanpeng Wu Zhaojun Liu Department of Electrical and Electronic Engineering Southern University of Science and Technology 1088 Xueyuan Blvd Nanshan District Shenzhen 518055 PR China State Key Laboratory of Organic-Inorganic Composites Beijing University of Chemical Technology Beijing 100029 PR China Department of Environment and Civil Engineering Dongguan University of Technology Dongguan 523808 PR China Institute of Chemical Sciences Bahauddin Zakariya University Multan 60800 Pakistan International Research Center for Renewable Energy (IRCRE) State Key Laboratory of Multiphase Flow in Power Engineering (MPFE) Xi’an Jiaotong University Xi’an 710049 PR China Institute for Advanced Study Shenzhen University Nanhai Avenue 3688 Shenzhen 518060 PR China

The ever decreasing amount of fossil fuels and increasing environmental pollution are alarming threats for green and sustainable future. Designing a new catalyst is, therefore, of paramount significance in the quest to discover sustainable, robust, and environmentally benign materials for clean and sustainable energy generation. Herein, we developed a hierarchically oriented catalyst of calcined poly(ferrocenedimethano)-cyclotriphosphazene-microspheres (CPFC-MS) supported with nickel-aluminum layered double hydroxide and decorated with nanoparticles (NPs) of rhodium-nickel, [email protected] x Ni 1 - x ( x = 2.06–6.75), for H 2 generation from ammonia borane (AB) hydrolysis . The highly active catalyst was characterized by scanning electron microscopy (SEM), Raman spectroscopy , high-resolution transmission electron microscopy (HRTEM) and TEM, energy dispersive X-ray spectroscopy (EDX), fourier transform infrared (FTIR), X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS). The as-fabricated [email protected] @Rh x Ni 1- x ( x = 2.06–6.75) catalysts were tested for AB hydrolysis and the results showed remarkable performance and higher stability for H 2 generation. The [email protected] @Rh 2.06 Ni 7.32 catalyst, having the lowest Rh-contents, exhibited maximum H 2 generation with a turn over frequency (TOF) of 780 mol H 2 hr −1 mol Rh −1 and an activation energy (E a ) of 40.3 kJ/mol with excellent sustainability . The superior activity is ascribed to the synergetic effect between RhNi NPs and their well-dispersion over hierarchically oriented [email protected] support, while higher stability due to LDH-AlNi/RhNi attractions. This work will provide new opportunities for polyphosphazenes and LDH derived hierarchically oriented sustainable catalysts for green energy production for sustainable future.

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Thiolated, Reduced Palladium Nanoclusters with Resolved Structures for the Electrocatalytic Reduction of Oxygen

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Angewandte Chemie 2022年第46期134卷

作者： Dr. Shengli Zhuang Dr. Dong Chen Dr. Qing You Wentao Fan Prof. Jun Yang Prof. Zhikun Wu Key Laboratory of Materials Physics Anhui Key Laboratory of Nanomaterials and Nanotechnology CAS Center for Excellence in Nanoscience Institute of Solid State Physics Chinese Academy of Sciences Hefei 230031 P. R. China Department of Chemistry and Centre for Atomic Engineering of Advanced Materials Anhui University Hefei Anhui 230601 P. R. China State Key Laboratory of Multiphase Complex Systems Institute of Process Engineering Chinese Academy of Sciences Beijing 100190 P. R. China Hefei National Laboratory for Physical Sciences at the Microscale University of Science and Technology of China Hefei 230026 P.R. China

Although thiolated, reduced Group 11 metal nanoclusters with atomic monodispersity have been repeatedly reported in the past decade, their Pd analogues have not been reported thus far. In this work, we provide a resolution for the challenging synthesis and obtain for the first time an atomically monodisperse thiolated, reduced Pd (q=+0.75) nanocluster with a di-tetrahedron Pd 8 kernel and a +3 charged interstitial B atom, as revealed by ESI-MS, SCXRD, etc. μ-6 B is found for the first time in Group 10 and 11 metal nanoclusters. More importantly, the as-obtained Pd nanoclusters show better catalytic activity compared to 1.4 nm Pd nanoparticles, Pd 2 complexes and even a commercial Pt/C catalyst for the oxygen reduction reaction (ORR), having significant implications for the influence of the metal charge state and space structure on the catalytic activity.

关键词： Electrocatalysis Interstitial B Atom ORR Nanoclusters Palladium

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Numerical and experimental studies on the influences of flow field on the measurement accuracy of ultrasonic water meters

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Measurement: Sensors 2021年 18卷

作者： Jieqiang Ji Jianying Zheng GuoFu Chen Xiaojie Wu NingNing Zhang Yan Fang Leming Cheng Zhejiang Province Institute of Metrology Hangzhou 310018 China National Centre of Quality Supervision and Testing on Liquid Flow Measuring Instruments Hangzhou 310018 China State Key Laboratory of Clean Energy Utilization Institute for Thermal Power Engineering Zhejiang University Hangzhou 310027 China

CFD modelling and experiments are carried out to study the influences of flow field on the measurement accuracy of ultrasonic water meters. The swirl generator and flow disturber are selected to change the flow field distributions inside the pipe. The calculation results show that the installation of left-handed swirl generator induces a specific flow pattern of the fluid inside the pipe, while the installation of flow disturber leads to the distortion of the axial velocity distributions. The critical distance of the fluid reaching the steady flow is 10D for left-handed swirl generator and flow disturber. In the experiment part, six different ultrasonic water meters are selected for the intrinsic errors tests. The results show that the installations of swirl generator and flow disturber induce the intrinsic errors shift to negative values. Compared with the flow disturber, the swirl generator has greater impact on the measurement accuracy.

关键词： flow field Disturbance generators Ultrasonic water meters CFD

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Insights into Charge Transfer at an Atomically Precise Nanocluster/Semiconductor Interface

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Angewandte Chemie 2020年第20期132卷

作者： Yu Wang Xiao‐He Liu Qiankun Wang Martin Quick Sergey A. Kovalenko Qing‐Yun Chen Norbert Koch Nicola Pinna Institut für Chemie and IRIS Adlershof Humboldt-Universität zu Berlin Brook-Taylor-Strasse 2 12489 Berlin Germany International Research Center for Renewable Energy (IRCRE) and State Key Laboratory of Multiphase Flow in Power Engineering School of Energy and Power Engineering Xi'an Jiaotong University Xi'an 710049 P. R. China Institut für Physik and IRIS Adlershof Humboldt-Universität zu Berlin Brook-Taylor-Strasse 6 12489 Berlin Germany

The deposition of an atomically precise nanocluster, for example, Ag 44 (SR) 30 , onto a large‐band‐gap semiconductor such as TiO 2 allows a clear interface to be obtained to study charge transfer at the interface. Changing the light source from visible light to simulated sunlight led to a three orders of magnitude enhancement in the photocatalytic H 2 generation, with the H 2 production rate reaching 7.4 mmol h −1 g catalyst −1 . This is five times higher than that of TiO 2 modified with Ag nanoparticles and even comparable to that of TiO 2 modified with Pt nanoparticles under similar conditions. Energy band alignment and transient absorption spectroscopy reveal that the role of the metal clusters is different from that of both organometallic complexes and plasmonic nanoparticles: A type II heterojunction charge‐transfer route is achieved under UV/Vis irradiation, with the cluster serving as a small‐band‐gap semiconductor. This results in the clusters acting as co‐catalysts rather than merely photosensitizers.

关键词： Ladungstransfer Cokatalysatoren Photosensibilisator Silber-Nanocluster

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Correction to: Research on Performance and Safety of Composite Inorganic Phase-Change Materials (NaNO3/SiO2/C) under Low-temperature Cold Shock

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Journal of Materials engineering and Performance 2021年第11期30卷 8686-8686页

作者： Liu, Liang Wu, Aixiang Huang, Yun Li, Junqin Beijing Academy of Safety Science and Technology Beijing China State Key Laboratory of Multiphase Complex Systems Institute of Process Engineering Chinese Academy of Sciences Beijing China Anhui Emergency Management Publicity and Education Center Hefei China Gansu Vocational and Technical College of Communications Lanzhou China

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