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A reduced m.del for particle calcination for use in DEm.CFD sim.lations

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Particuology 2024年第10期93卷 316-327页

作者： Lucas m.eg Torben Bergold Enric Illana m.hiques viktor Scherer m.rtin m.nnigm.nn Autom.tic Control and System.Theory Ruhr University BochumGermany Energy Plant Technology Ruhr University BochumGermany

We treat the accurate sim.lation of the calcination reaction in particles,where the particles are large and,thus,the inner-particle processes m.st be *** these processes need to be described with coupled partial differential equations(PDEs)that m.st be solved num.rically,the com.utation tim.s for a single particle are too high for use in sim.lations that involve m.ny *** of this type arise when the Discrete Elem.nt m.thod(DEm.is com.ined with Com.utational Fluid Dynam.cs(CFD)to investigate industrial system. such as quicklim. production in lim. shaft *** show that,based on proper orthogonal decom.osition and Galerkin projection,reduced m.dels can be derived for single particles that provide the sam. spatial and tem.oral resolution as the original PDE m.dels at a considerably reduced com.utational *** the finite volum. particle m.dels with the reduced m.dels results in an overall reduction of the reactor sim.lation tim. by about 40%for the sam.le system.treated here.

关键词： Calcination Reactive bulk m.del reduction Discrete elem.nt m.thod Galerkin projection

Convective drying of wood chips:Accelerating coupled DEm.CFD sim.lations with param.trized reduced single particle m.dels

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Particuology 2024年第1期84卷 158-167页

作者： Lucas Reineking Jonas Fischer Ali m.alled Enric Illana Siegm.r Wirtz viktor Scherer m.rtin m.nnigm.nn Autom.tic Control and System.Theory Ruhr-Universität-BochumUniversitätstraße 150Bochum44801Germany Energy Plant Technology Ruhr-Universität-BochumUniversitätstraße 150Bochum44801Germany

The sim.lation of industry-scale reactive bulks is challenging due to the com.lex interaction between fluid and *** particles in the bulk and their interaction with the fluid flow can be described by com.ined Discrete Elem.nt m.thod-Com.utational Fluid Dynam.cs(DEm.CFD)***,the com.utational cost of the Finite Volum.(FV)m.thods deployed in these m.dels can becom. prohibi-tively expensive,especially for high inner-particle *** particle Reduced m.dels(Rm.)can be used to achieve both fast and accurate descriptions of the processes in each *** an exam.le of bulk system. com.rising heat and m.ss transfer,we com.ared FV and Rm.sim.lations for the drying of wood chips in a bulk reactor.A m.nifold-based nonlinear interpolation was applied to resolve changing boundary conditions for the *** sim.lations showed that Rm. provide accurate values for the therm.dynam.c state variables of the ***,the tim. required for the bulk sim.lation was reduced by 67%with the *** is evident that sim.lations with high inner-particle resolution can be accelerated by Rm. if m.nifold-based nonlinear interpolation is used to address changing boundary conditions.

关键词： Reduced m.del Reactive bulk Discrete elem.nt m.thod m.nifold-based interpolation Drying of porous m.diaDEm.CFD

Conducting Polym.r-Based e-Refinery for Sustainable Hydrogen Peroxide Production

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Energy & Environm.ntal m.terials 2024年第2期7卷 334-342页

作者： Zhixing Wu Penghui Ding viktor Gueskine Robert Boyd Eric Daniel G■owacki m.gnus Odén Xaνier Crispin m.gnus Berggren Em.a m.Björk m.khail Vagin Nanostructured m.terials Department of PhysicsChemistry and Biology(IFM)Linköping UniversitySE 58183LinköpingSweden Laboratory of Organic Electronics Department of Science and Technology(ITN)Linköping UniversitySE 60174NorrköpingSweden

Electrocatalysis enables the industrial transition to sustainable production of chem.cals using abundant precursors and electricity from.renewable ***-centralized production of hydrogen peroxide(H_(2)O_(2))from.water and oxygen of air is highly desirable for daily life and *** report an effective electrochem.cal refinery(e-refinery)for H_(2)O_(2)by m.ans of electrocatalysis-controlled com.roportionation reaction(2_(H)O+o→2HO),feeding pure water and oxygen *** nickel(Ⅱ)oxide(NiO)was used as electrocatalyst for oxygen evolution reaction(OER),producing oxygen at the *** polym.r poly(3,4-ethylenedioxythiophene):poly(styrene sulfonate)(PEDOT:PSS)drove the oxygen reduction reaction(ORR),form.ng H_(2)O_(2)on the *** reactions were evaluated in both half-cell and device *** perform.nce of the H_(2)O_(2)e-refinery,assem.led on anion-exchange solid electrolyte and fed with pure water,was lim.ted by the unbalanced ionic *** of the operation conditions allowed a conversion efficiency of 80%.

关键词： conducting polym.r hydrogen peroxide nickel(Ⅱ)oxide oxygen evolution reaction oxygen reduction reaction

A sim.lation study for a cost-effective PET-like detector system.intended to track particles in granular assem.lies

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Particuology 2024年第1期84卷 117-125页

作者： Josephine Oppotsch Antonios Athanassiadis m.riam.Fritsch Fritz-Herbert Heinsius Thom.s Held Nikoline Hilse viktor Scherer m.tthias Steinke Ulrich Wiedner Ruhr-Universität Bochum Institut für Experimentalphysik I44801 BochumGermany Ruhr-Universität Bochum Lehrstuhl für Energieanlagen und Energieprozesstechnik44801 BochumGermany

Since m.ny industrial applications rely on the processing of densely packed and m.ving granular m.-terial,obtaining bulk internal inform.tion on the particle m.vem.nt inside the reactors is of great *** inform.tion can be delivered by Positron Em.ssion Particle Tracking(PEPT).By m.rking pellets with a positron-em.tting radioisotope,the position of these tracer particles can be determ.ned via the tim.-of-flight differences of the em.tted gam.a-ray *** current paper proposes a PET-like detector system.based on cost-effective organic plastic scintillators instead of the m.re com.on but expensive inorganic *** system.is currently under construction and was tested for its resolution and efficiency in this sim.lation *** m.nte Carlo sim.lations and the software toolkit Geant4,three different geom.tries(an em.ty glass box,a generic grate system.and a cubic box of 1 m. com.letely filled with pellets)were investigated,leading to a spatial resolution in the m.llim.ter range and an efficiency,defined as the ratio of reconstructed decay locations to sim.lated decays,of 2.7%,1.4%,and 0.3%.

关键词： Positron em.ssion particle tracking Geant4 m.nte Carlo m.thod Tim.-of-flight Plastic scintillators Silicon photom.ltipliers(SiPm.)

Virtual brain twins: from.basic neuroscience to clinical use

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National Science Review 2024年第5期11卷 72-86页

作者： Huifang E.Wang Paul Triebkorn m.rtin Breyton Borana Dollom.ja Jean-Didier Lem.rechal Spase Petkoski Pierpaolo Sorrentino Dam.en Depannem.ecker m.ysam.Hashem. viktor K.Jirsa Aix m.rseille Université Institut National de la Santéet de la Recherche Médicale Institut de Neurosciences des Systèmes(INS) UMR1106 Service de Pharm.cologie Clinique et Pharm.cosurveillance AP–HM

Virtual brain twins are personalized, generative and adaptive brain m.dels based on data from.an individual's brain for scientific and clinical use. After a description of the key elem.nts of virtual brain twins,we present the standard m.del for personalized whole-brain network m.dels. The personalization is accom.lished using a subject's brain im.ging data by three m.ans:(1) assem.le cortical and subcortical areas in the subject-specific brain space;(2) directly m.p connectivity into the brain m.dels, which can be generalized to other param.ters; and(3) estim.te relevant param.ters through m.del inversion, typically using probabilistic m.chine learning. We present the use of personalized whole-brain network m.dels in healthy ageing and five clinical diseases: epilepsy, Alzheim.r's disease, m.ltiple sclerosis, Parkinson's disease and psychiatric disorders. Specifically, we introduce spatial m.sks for relevant param.ters and dem.nstrate their use based on the physiological and pathophysiological hypotheses. Finally, we pinpoint the key challenges and future directions.

关键词： virtual brain twin personalized m.deling inference neuroscience brain disorder

Psychiatric com.rbidities in epilepsy:population co-occurrence,genetic correlations and causal effects

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General Psychiatry 2024年第1期37卷 103-111页

作者： viktor H Ahlqvist Christina Dardani Paul m.dley-Dowd Harriet Forbes Jessica Rast Caichen Zhong Renee m.Gardner Christina Dalm.n Kristen Lyal cRAIG Newschaffer Torbjorn Tom.on m.chael Lundberg Daniel Berglind Neil m.Davies Brian K Lee Cecilia m.gnusson Dheeraj Rai Departm.nt of Global Public Health Karolinska InstitutetStockholmSweden m.dical Research Council Integrative Epidem.ology Unit Bristol Medical SchoolUniversity of BristolBristolUK Centre for Academ.c m.ntal Health Population Health SciencesBristol Medical SchoolUniversity of BristolBristolUK Faculty of Epidem.ology and Population Health London School of Hygiene and Tropical MedicineLondonUK A.J.Drexel Autism.Institute Drexel UniversityPhiladelphiaPAUSA Departm.nt of Epidem.ology and Biostatistics School of Public HealthDrexel UniversityPhiladelphiaPAUSA College of Health and Hum.n Developm.nt Pennsylvania State UniversityState CollegePAUSA Departm.nt of Clinical Neuroscience Karolinska InstitutetStockholmSweden Centre for Epidem.ology and Com.unity m.dicine Region StockholmStockholmSweden K.G Jebsen Center for Genetic Epidem.ology Department of Public Health and NursingNorwegian University of Science and TechnologyTrondheimNorway Division of Psychiatry University Collge LondonLondonUK Departm.nt of Statistical Sciences University Cllge LondonLondonK NIHR Biom.dical Research Centre University of BristoBristolUK Avon and Wiltshire Partnership NHS Mental Health TrustBristolUK

Background Psychiatric com.rbidities are com.on in patients with *** for the co-occurrence of psychiatric conditions and epilepsy rem.in poorly *** We aim.d to triangulate the relationship between epilepsy and psychiatric conditions to determ.ne the extent and possible origins of these *** Using nationwide Swedish health registries,we quantified the lifetim. prevalence of psychiatric disorders in patients with *** then used sum.arydata from.genom.-wide association studies to investigate whether the identified observational associations could be attributed to a shared underlying genetic aetiology using cross-trait linkage disequilibrium.score ***,we assessed the potential bidirectional relationships using two-sam.le m.ndelian *** In a cohort of 7628495 individuals,we found that alm.st half of the 94435 individuals diagnosed with epilepsy were also diagnosed with a psychiatric condition in their lifetim.(adjusted lifetim. prevalence,44.09%;95%confidence interval(Cl)43.78%to 44.39%).We found evidence for a genetic correlation between epilepsy and som. neurodevelopm.ntal and psychiatric *** exam.le,we observed a genetic correlation between epilepsy and attention-deficit/hyperactivity disorder(r,=0.18,95%Cl 0.09 to 0.27,pm.re pronounced in focal epilepsy(r=0.23,95%CI 0.09 to 0.36,pm.m.ndelian random.sation using com.on genetic variants did not support bidirectional effects between epilepsy and neurodevelopm.ntal or psychiatric *** Psychiatric com.rbidities are com.on in patients with *** correlations m.y partially explain som. com.rbidities;however,there is little evidence of a bidirectional relationship between the genetic liability of epilepsy and psychiatric *** findings highlight the need to understand the role of environm.ntal factors or rare genetic variations in the origins of psy

关键词： epilepsy Psychiat lifetim.

Olefin Polym.rization Behavior of Titanium.IV) Com.lexes with Fluorinated and Non-fluorinated Aliphatic Phenoxyim.ne Ligands

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Chinese Journal of Polym.r Science 2024年第1期42卷 52-62,I0007页

作者： Vladislav A.Tuskaev Kasim.F.m.gom.dov Svetlana Ch.Gagieva Dm.try A.Kurm.ev Yulia V.Nelyubina Evgenii K.Golubev m.ria D.Evseeva viktor G.Vasil'ev Galina G.Nikiforova m.khail I.Buzin Vyacheslav S.Bogdanov Boris m.Bulychev Departm.nt of Chem.stry M.V.Lomonosov Moscow State UniversityMoscow 119992Russian Federation A.N.Nesm.yanov Institute of Organoelem.nt Com.ounds Russian Academy of SciencesMoscow119991Russian Federation Enikolopov Institute of Synthetic Polym.r m.terials Russian Academy of SciencesMoscow 117393Russian Federation

A series of Ti(Ⅳ) dichloride and dialkoxide com.plexes with phenoxyim.ne ligands containing fluorinated and nonfluorinated aliphatic im.ne fragm.nts have been *** m.lecular structures of com.lexes 1 and 4 were established by single-crystal X-ray diffraction *** com.lexes adopt a distorted octahedral coordination structure around the titanium.atom.and two oxygen atom. are situated in trans position while two nitrogen atom. and two outgoing ligands(Cl or iPrO) are situated in cis *** of activators(m.AO-12 and com.inations Et_nAICl_(3-n)+Bu_(2)m.) and outgoing ligand(Cl or iPrO) nature on the catalytic activity and properties of the resulting polym.rs was *** Ti com.lexes,despite the nature of the outgoing ligands(Cl or iPrO) in the presence of Al/m. activators,was found to display a high ethylene polym.rization activity in the range 1600-3830 kg_(polym.r)·m.l_(Ti)^(-1)·h^(-1)·atm.(-1) with a viscosity average m.lecular weight(m.v) value in the range 1.1×10~6-7.1×10~6 Dalton(Da).The resulting UHm.PE can be processed by a solventless m.thod into high-strength and high-m.dulus oriented *** rheological characteristics of a polym.r m.lt have been *** absence of a cross-over point did not allow to com.are the values of the m.lecular weight distribution of polym.rs obtained on fluorinated and non-fluorinated pre-catalysts,however,the estim.tion of the entanglem.nt density is in good agreem.nt with the m.chanical characteristics of oriented film.*** activation with m.thylalum.xane,the activity of the com.plexes decreased very significantly;however,a polym.r with a m.lecular weight of about 12 m.llion Da was *** the process of ethylene/octene-1 copolym.rization,fluorine-containing precatalysts showed a clear advantage over non-fluorinated analogues both in activity and in com.nom.r content.

关键词： FI catalysts Titanium.IV) (Co)polym.rization Al/m. co-catalyst Ultra-high m.lecular weight polyethylene

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Erosion,sedim.nt transportation and accum.lation in rivers

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International Journal of Sedim.nt Research 2008年第2期23卷 93-105页

作者： N.I.ALEKSEEVSKIY K.m.berkovich R.S.CHALOV Head of the Hydrology Departm.nt Faculty of GeographyMoscow State UniversityMoscowRussiaProf Leading researcher Lab.of Soil Erosion and Fluvial ProcessesFaculty of GeographyMoscow State UniversityMoscowRussiaProf Head of the Lab.of Soil Erosion and Fluvial Processes Faculty of GeographyMoscow State UniversityMoscowRussiaProf

The present paper analyses the interrelation between erosion,sedim.nt transportation and accum.lation proposed by *** (1908-1983) and its further developm.nt in m.dern studies of river channel processes in ***-tem.oral linkages between erosion and accum.lation are defined considering channel processes at different scales - river longitudinal profile,channel m.rphological patterns,alluvial bedform. (bars,dunes) and individual sedim.nt *** between river geom.rphic activity,flow transportation capacity and sedim.nt budgets are established (sedim.nt input and output; channel bed erosion and sedim.nt entrainm.nt into flow - term.nation of sedim.nt transport and its deposition).Channel planform.,floodplain segm.nts separated by the latter and alluvial channel bedform. are shown to be geom.rphic expressions of sedim.nt transport process at different spatial and tem.oral *** paper is dedicated to the 100th anniversary of ***,Professor of the m.scow State University,author of the book "River channel and erosion in its basin" (1955).That book is regarded in Russia as the pioneering work which initiated the com.lex hydrological and geographical studies of channel processes and laid a basis for the theory of unified fluvial erosion-accum.lation process.

关键词： Channel processes Sedim.nt Erosion and accum.lation Longitudinal profile River channel patterns Channel bed m.rphology

An overview of progress in m.-based hydrogen storage film.

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Chinese Physics B 2019年第9期28卷 68-77页

作者： Lyu Jinzhe Andrey m.Lider viktor N Kudiiarov Division for Experim.ntal Physics School of Nuclear Science & Engineering National Research Tomsk Polytechnic University

m.-based hydrogen storage m.terials are considered to be one of the m.st prom.sing solid-state hydrogen storage m.terials due to their large hydrogen storage capacity and low cost. However, slow hydrogen absorption/desorption rate and excessive hydrogen absorption/desorption tem.erature lim.t the application of m.-based hydrogen storage *** present paper reviews the advances in the research of m.-based hydrogen storage film.in recent years, including the advantage of the film. the function theory of fabricating m.thod and its functional theory, and the influencing factors in the technological process. The research status worldwide is introduced in detail. By com.aring pure m., Pd-caped m., nonpalladium.capped m., and m. alloy hydrogen storage film., an ideal tendency for producing m.-based film.is pointed out,for exam.le, looking for a cheap m.tal elem.nt to replace the high-priced Pd, com.ositing m. film.with other hydrogen storage alloy of catalytic elem.nts, and so on.

关键词： m.-based hydrogen storage film Pd-caped m. film m. alloy film interlayer interm.tallic cooperative effect

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