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On the determination of particle impact breakage in selection function

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Particuology 2022年第6期20卷 117-132页

作者： Li Ge Wang Ruihuan Ge Xizhong Chen process Systems Enterprise HammersmithLondonUK department of chemical and Biological engineering University of SheffieldUK process and chemical engineering School of EngineeringUniversity College CorkIreland

This paper presents a thorough study of particle impact breakage in selection function with a unified breakage *** impact mode and breakage pattern for particulate materials are classified based on a significant review of well-established impact *** was found that the lack of a unified breakage criterion to determine the breakage probability disables a direct comparison of particle breakage propensity from different impact loading *** literature breakage models to describe the breakage probability are reviewed where the advantage and drawback of these models are *** sourced literature breakage models are compared with the zeolite breakage datasets in a unified breakage criterion to evaluate the model performance.A novel computational modelling workflow for a milling process is proposed to provide a guidance in implementing the digital twin in milling process *** breakage probability models,*** selection functions are comprehensively assessed in population balance model to examine the model *** model simplicity and fidelity in the model assessment are specifically discussed and the value of digital twin in substantially reducing the experimental trials is highlighted.

关键词： Impact breakage Breakage criteria Breakage model assessment Selection function Population balance model Digital twin

A Simulation Study to Assess Impacts of Habitat-Dependent Parameters of Surplus Production Model on Stock Assessment of Chilean Jack Mackerel in the Southeast Pacific Ocean

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Journal of Ocean University of China 2025年第1期24卷 169-181页

作者： LI Gang CAO Yangming CAO Jie CHEN Xinjun ZOU Xiaorong College of Marine Science Shanghai Ocean UniversityShanghai 201306China National engineering Research Center for Oceanic Fisheries Shanghai 201306China The Key Laboratory of Sustainable Exploitation of Oceanic Fisheries resources Ministry of EducationShanghai 201306China department of Applied Ecology Center for Marine Sciences and TechnologyNorth Carolina State UniversityMorehead CityNC 28557USA

Pelagic fish are the most abundant species in upwelling regions,contributing 25%of total global fisheries ***-driven changes in the marine environment play a crucial role in their population *** Chilean jack mackerel(Trachurus murphyi)as an example,this study conducted simulations to quantify the impacts of environmental variations on the stock assessment.A habitat-based surplus production model was developed by integrating suitable habitat area into the model parameters carrying capacity(K)and intrinsic growth rate(r),with a suitable habitat area serving as the proxy for the environmental conditions for Chilean jack mackerel in the Southeast Pacific *** dynamics of Chilean jack mackerel stock and fisheries data were simulated,and four assessment models with different configurations were built to fit simulated data,with or without considering environmental *** results indicated that Joint K-r model,which integrated both parameters with the suitable habitat area index,outperformed the others by coming closest to the‘true'population *** habitat variations in the estimation model tended to overestimate biomass and underestimate harvest rate and reference *** observation and process error,the results were estimated with bias,while FMSY is relatively *** research illustrates the importance to consider random errors and environmental influences on populations,and provides foundation guidelines for future stock assessment.

关键词： Trachurus murphyi simulations suitable habitat area stock assessment errors Southeast Pacific Ocean

Potassium ions and cyano group modified g-C_(3)N_(4) for effective generation of H_(2)O_(2) through two-electron oxygen reduction

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Science China Chemistry 2025年第1期68卷 192-200页

作者： Dongying Wang Shulan Pu Yongmin Chen Ke Lei Yujie Duan Linjiao Mao Xuhui Zeng Xi Luo Yuntao Zhang Yuqin Dong Jin Zhong Zhang Yan Sun School of Mechanical engineering Chengdu UniversityChengdu 610106China department of Chemistry and Biochemistry University of CaliforniaSanta CruzCA 95064USA

Potassium ions(K^(+))doped graphitic carbon nitride(g-C_(3)N_(4))was prepared by a thermal etching method using potassium hydroxide(KOH)as an ion *** transform infrared spectroscopy(FTIR)and X-ray photoelectron spectroscopy(XPS)results showed that the generation of the cyano group was detected while introducing K^(+).Under simulated sunlight irradiation,the sample with a K^(+)doping amount of 10%showed the highest hydrogen peroxide(H_(2)O_(2))generation rate of2,140.2μmol h^(-1)g^(-1).The apparent quantum yield(AQY)at 400 nm and the solar-to-chemical conversion(SCC)are 4.35%and1.23%,respectively.K^(+)acted as a bridge between g-C_(3)N_(4)layers,which enhanced charge transfer ***,the cyano group enhanced the adsorption capacity of protons(H^(+))and promoted the yield of H_(2)O_(2).The catalyst exhibited excellent photocatalytic stability based on four-cycle *** addition,a mechanism study showed that superoxide radicals(·O_(2)^(-))were the most important active species in the reaction *** production of H_(2)O_(2)was achieved through consecutive single-electron *** study deepens the understanding of the oxygen reduction reaction process and opens up a new venue for improving H_(2)O_(2)generation.

关键词： photocatalysis hydrogen peroxide oxygen reduction reaction potassium doping cyano group

Asymmetric interfacial engineering regulated charge distribution on Ru/Ni-N-C sites for efficient hydrogen evolution reaction in alkaline and seawater electrolytes

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Science China Chemistry 2025年

作者： Rui Yu Xi Cao Chengyang Zhu Qingqing Chen Ziyi Yan Binbin Jiang Junjie Mao Xianwen Wei Key Laboratory of Electrochemical Clean Energy of Anhui Higher Education Institutes College of Chemistry and Materials ScienceAnhui Normal University Anhui Provincial Key Laboratory of Advanced Catalysis and Energy Materials School of Chemistry and Chemical Engineering Anqing Normal University School of Chemistry and chemical engineering Anhui University of Technology

Developing highly efficient and cost-effective electrocatalysts for hydrogen evolution reaction（HER） is grandly challenging in alkaline and alkaline seawater electrolytes. Herein, the asymmetric interfacial active sites with Ru nanoparticles and Ni single atoms in Ru/Ni-N-C were designed through a solvothermal-pyrolysis process. Constructing highly asymmetric interfacial active sites with a strong electron delocalization effect significantly improves HER kinetics. As expected, Ru/Ni-N-C requires low overpotentials with around 20 mV at 10 mA cm-2and robust durability over 48 h in alkaline and alkaline seawater *** at 200 mA cm-2, the overpotentials are close to 100 mV in both above electrolytes for Ru/Ni-N-C. Density function theory calculation results suggest that the asymmetric interface between Ru nanoparticle and Ni-N-C could accelerate the dissociation of water molecules and modulate the hydrogen species, consequently improving the HER performances. This work opens a unique approach for constructing advanced materials for energy conversion.

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Multi-scale magnetic resonance measurements and validation of Discrete Element Model simulations

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Particuology 2011年第4期9卷 330-341页

作者： Christoph R. Müller Daniel J. Holland James R. Third Andrew J. Sederman John S. Dennis Lynn F. Gladden Institute of Energy Technology Department of Mechanical and Process Engineering department of chemical engineering and Biotechnology University of Cambridge

This short review describes the capabilities of magnetic resonance （MR） to image opaque single- and two-phase granular systems, such as rotating cylinders and gas-fluidized beds operated in different fluidization regimes. The unique capability of MR to not only image the solids＇ distribution （voidage） but also the velocity of the particulate phase is clearly shown. It is demonstrated that MR can provide measurements over different length and time scales. With the MR equipment used for the studies summarized here, temporal and spatial scales range from sub-millisecond to hours and from a few hundred micrometres to a few centimetres, respectively. Besides providing crucial data required for an improved understanding of the underlying physics of granular flows, multi-scale MR measurements were also used to validate numerical simulations of granular systems. It is shown that predictions of time-averaged properties, such as voidage and velocity of the particulate phase, made using the Discrete Element Model agree very well with MR measurements.

关键词： Discrete Element Modelling Magnetic resonance imaging MultiscaleGas-fluidized beds Rotating cylinders

Analysis of Turbulence and Surface Growth Models on the Estimation of Soot Level in Ethylene Non-Premixed Flames

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Journal of Thermal Science 2018年第1期27卷 78-88页

作者： Y.Yunardi Edi Munawar Wahyu Rinaldi Asbar Razali Elwina Iskandar M.Fairweather department of chemical engineering Syiah Kuala University department of Mechanical engineering Syiah Kuala University department of chemical engineering State Polytechnics of Lhokseumawe School of chemical and process engineering University of Leeds

Soot prediction in a combustion system has become a subject of attention, as many factors influence its accuracy. An accurate temperature prediction will likely yield better soot predictions, since the inception, growth and de- struction of the soot are affected by the temperature. This paper reported the study on the influences of turbulence closure and surface growth models on the prediction of soot levels in turbulent flames. The results demonstrated that a substantial distinction was observed in terms of temperature predictions derived using the k-c and the Rey- nolds stress models, for the two ethylene flames studied here amongst the four types of surface growth rate model investigated, the assumption of the soot surface growth rate proportional to the particle number density, but inde- pendent on the surface area of soot particles,f（As） = pNs, yields in closest agreement with the radial data. Without any adjustment to the constants in the surface growth term, other approaches where the surface growth directly proportional to the surface area and square root of surface area, f （As） = As and f （A,） = √As, result in an un- der-prediction of soot volume fraction. These results suggest that predictions of soot volume fraction are sensitive to the modelling of surface growth.

关键词： soot conditional moment closure combustion surface growth non-premixed turbulent flame

Machine learning driven rational design of dual atom catalysts on graphene for carbon dioxide electroreduction

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Nano Research 2025年第1期18卷 186-194页

作者： Dongxu Jiao Xinyi Li Mingzi Sun Lin Liu Jinchang Fan Jingxiang Zhao Bolong Huang Xiaoqiang Cui State Key Laboratory of Automotive Simulation and Control School of Materials Science and Engineeringand Key Laboratory of Automobile Materials of MOEJilin UniversityChangchun 130012China department of Applied Biology and chemical Technology The Hong Kong Polytechnic UniversityHung HomKowloonHong KongChina College of Chemistry and chemical engineering and Key Laboratory of Photonic and Electronic Bandgap MaterialsMinistry of EducationHarbin Normal UniversityHarbin 150025China

The development of high-performance atomiccatalysts for the carbon dioxide reduction reaction(CO_(2)RR)is atime-consuming process due to the complexity of the reactionmechanism and the uncertainty of the active ***,wehave proposed combining density functional theory(DFT)andmachine learning(ML)to investigate the potential of topologicalgraphene-based dual-atom catalysts(DACs)as CO_(2)*** analyzing the ML results,we identify thenumber of d-orbital electrons in the active site as a key factorinfluencing the CO_(2)RR catalytic ***,wepropose a simple descriptor to measure the CO_(2)RR activity ofthese *** findings provide plausible explanations for thesynergistic interactions between bimetallic atoms in CO_(2)RR andallow us to screen the homogeneous Ni-Ni pair as the mostpromising dual-atom *** work offers a fast MLapproach based on limited DFT calculations to predict the mostelectroactive and stable DACs on carbon support for CO_(2)RR,facilitating rapid screening of high-performance dual-atomcatalysts.

关键词： CO_(2)reaction reduction dual-atom catalysts density functional theory machine learning

Interaction of Ca^(2+)and Fe^(3+)in co-precipitation process induced by Virgibacillus dokdonensis and its application

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Journal of Environmental Sciences 2025年第1期147卷 131-152页

作者： Huaxiao Yan Yuping Liu Haojuan Zhang Shengping Jin Zuozhen Han Jusun Woo Maurice E.Tucker Long Meng Xiangqun Chi Chao Han Yanyang Zhao Yueming Zhao Hui Zhao College of chemical and Biological engineering College of Earth Science and EngineeringShandong Provincial Key Laboratory of Depositional Mineralization and Sedimentary MineralsShandong University of Science and TechnologyQingdao 266590China Laboratory for Marine Mineral resources Center for Isotope Geochemistry and GeochronologyQingdao National Laboratory for Marine Science and TechnologyQingdao 266237China School of Earth and Environmental Sciences Seoul National UniversitySeoul 08826Korea School of Earth Sciences University of BristolBristol BS81RJUK Cabot Institute University of BristolCantock’s CloseBristol BS81UJUK Qingdao West Coast New District First High School Qingdao 266555China

Biomineralization has garnered significant attention in the field of wastewater treatment due to its notable cost reduction compared to conventional *** reinjection water from oilfields containing an exceedingly high concentration of calcium and ferric ions will pose amajor hazard in ***,the utilization of biomineralization for precipitating these ions has been scarcely investigated due to limited tolerance among halophiles towards such extreme *** this study,free and immobilized halophiles Virgibacillus dokdonensis were used to precipitate these ions and the effects were compared,at the same time,biomineralizationmechanisms and mineral characteristicswere further *** results showthat bacterial concentration and carbonic anhydrase activitywere higher when additionally adding ferric ion based on calcium ion;the content of protein,polysaccharides,deoxyribonucleic acid and humic substances in the extracellular polymers also increased compared to *** ions were biomineralized into calcite and vaterite with mul-tiple *** to iron doping,the crystallinity and thermal stability of calcium carbonate decreased,the content of O-C=O,N-C=OandC-O-PO_(3) increased,the stable carbon isotope values became much more negative,andβ-sheet in minerals *** calcium concentrations facilitated ferric ion precipitation,while ferric ions hindered calcium *** immobilized bacteria performed better in ferric ion removal,with a precipitation ratio exceeding 90%.Free bacteria performed better in calcium removal,and the precipitation ratio reached a maximum of 56%.This research maybe provides some reference for the co-removal of calcium and ferric ions from the oilfield wastewater.

关键词： Calcium carbonate Calcium ion Ferric ion Biomineralization Co-removal Immobilization

Effect of gradual increase of salt on performance and microbial community during granulation process

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Journal of Environmental Sciences 2025年第1期147卷 404-413页

作者： Mengfei Wang Junguo He Xiangke Dong Ruimiao Zhang School of Environment Harbin Institute of TechnologyHarbin 150090China State Key Laboratory of Urban Water resources and Environment Harbin Institute of TechnologyHarbin 150090China School of Civil engineering Guangzhou UniversityGuangzhou 510006China National Marine Environmental Monitoring Center Dalian 116023China

Salinity was considered to have effects on the characteristics,performance microbial communities of aerobic granular *** study investigated granulation process with gradual increase of salt under different *** identical sequencing batch reactors were operated,while the influent of Ra and Rb was subjected to stepwise increments of NaCl concentrations(0-4 g/L and 0-10 g/L).The presence of filamentous bacteria may contribute to granules formed under lower salinity conditions,potentially leading to granules *** removal efficiency achieved in both reactors although therewas a small accumulation of nitrite in Rb at later *** removal efficiencies of chemical oxygen demand(COD),total nitrogen(TN),and total phosphorus(TP)in Ra were 95.31%,93.70%and 88.66%,while the corresponding removal efficiencies in Rb were 94.19%,89.79%and 80.74%.Salinity stimulated extracellular polymeric substances(EPS)secretion and enriched EPS producing bacteria to help maintain the integrity and stability of the aerobic *** nitrifying bacteria were responsible for NH_(4)^(+)-N and NO_(2)^(-)-N oxidation of salinity systems and large number of denitrifying bacteria were detected,which ensure the high removal efficiency of TN in the systems.

关键词： Aerobic granular sludge(AGS)Salinity Nutrient removal Extracellular polymeric substances(EPS) Microbial community