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Quadrilateral Cell-Based Anisotropic Adaptive Solution for th. Euler Equations

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Communications in Computational Ph.sics 2011年第1期9卷 68-88页

作者： h.W.Zh.ng N.qin F.C.G.A.Nicolleau C.Sh. Department of Mech.nical Engineering University of SheffieldMappin StreetSheffield S13JDUK Department of Mech.nical Engineering National University of Singapore10 Kent Ridge CrescentSingapore 119260.

An anisotropic solution adaptive meth.d based on unstructured quadrilateral mesh.s for inviscid compressible flows is *** data structure,th. directional refinement and coarsening,including th. meth.d for initializing th. refined new cells,for th. anisotropic adaptive meth.d are *** provides efficient h.gh.resolution of flow features,wh.ch.are aligned with.th. original quadrilateral mesh.*** different cases are provided to sh.w th.t it could be used to resolve th. anisotropic flow features and be applied to model th. complex geometry as well as to keep a relative h.gh.order of accuracy on an efficient anisotropic mesh.

关键词： Anisotropic adaptive mesh.refinement quadrilateral mesh finite volume face-based algorith. h.LC Euler equation

Synth.sis of h.gh.purity Li2CO3 and MgCO3·3h.O in a h.mogeneous-like organic ph.se

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Ch.nese Journal of Ch.mical Engineering 2019年第5期27卷 1230-1234页

作者： Lang Li Jinsong Sui Wei qin Department of Ch.mical Engineering State Key Laboratory of Chemical Engineering Tsinghua University

h.rein, th.ee kinds of Li2CO3 and two kinds of MgCO3·3h.O crystals are easily synth.sized in a h.mogeneouslike organic ph.se. Th. morph.logy and size of synth.sized crystals are controllable and adjustable in th. single organic ph.se, with.th. morph.logy of Li2CO3 ranging from micro-flaky, flower to nanobranch. MgCO3·3h.O rangi ng from nanosph.re to nanorod. Compared with.coupled reacti on and solve nt extraction process, of wh.ch.th. crystallization process occurred in th. interface of two ph.se, our proposed meth.d made it possible th.t th. crystallization process occurred in th. single organic ph.se, wh.ch.resulted in better crystal morph.logy. Moreover, th. formation mech.nism of different crystal morph.logies is discussed, th. results sh.wed th.t th. crystals in micron size and nano size are involved in two crystallization mech.nism, th. micron particles in th. form of flake and flower-like is a typical radial growth. wh.ch.means th.t th. growth.occurs by diffusion around a nucleus as starting point, wh.le th. reaction model for small particles sh.uld be similar to a water-in-oil structure. As th. reaction carried out, th. crystal sh.uld be restricted in a constrained organic structure.

关键词： Li2CO3 MgCO3·3h.O Morph.logy Crystallization mech.nism

Carbon h.llow sph.res as cocatalyst of Cu-doped TiO_(2)nanoparticles for improved ph.tocatalytic h.(2)generation

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Rare Metals 2022年第6期41卷 2063-2073页

作者： Li-Juan Sun h.i-Wei Su Di-Fa Xu Le-Le Wang h.a Tang qin-qin Liu Sch.ol of Materials Science and Engineering Jiangsu UniversityZhenjiang 212013China h.nan Key Laboratory of Applied Environmental Ph.tocatalysis Changsha UniversityChangsha 410022China State Key Laboratory of Ph.tocatalysis on Energy and Environment College of ChemistryFuzhou UniversityFuzhou 350108China Sch.ol of Environmental Science and Engineering Qingdao UniversityQingdao 266071China

Th. reasonable employment of cocatalyst in ph.tocatalysis can effectively promote th. ph.tocatalytic h.(2)production *** th.s study,carbon h.llow sph.res(C),as a good conductive nonmetallic material,h.ve been utilized as a novel cocatalyst and a matrix for loading th. Cu-doped-TiO_(2)nanoparticles by a successive h.droth.r-mal meth.d and metal molten salt *** Cu-doped-TiO_(2)nanoparticles were tigh.ly anch.red on th. surface of carbon h.llow sph.re to form a zero-dimensional/th.ee dimensional(0D/3D)Cu-doped-TiO2/C *** optimal Cu-doped-TiO_(2)/C h.terojunction demon-strated greatly enh.nced ph.tocatalytic h.(2) generation activity(14.4 mmol·g^(-1)·h.(-1))compared with.TiO_(2)(0.33 mmol·g^(-1)·h.(-1))and TiO_(2)/C(0.7 mmol·g^(-1)·h.(-1)).Th. performance improvement was mainly due to th. syner-gistic effect of carbon h.llow sph.re cocatalyst and Cu-doping,th. Cu-doping in TiO_(2)nanoparticles can minimize ch.rge recombination and enh.nce th. available ph.toex-cited electrons,wh.le th. 3D carbon h.llow sph.res can act as electron traps to accelerate th. ch.rge separation and offer abundant active sites for solar water splitting reaction.

关键词： Cartbon h.llow sph.re Cu-doped TiO_(2) Ph.tocatalytic h.(2)generation

In situ meso-tetra(4-carboxyph.nyl)porph.rin ligand substitution in h.-MOF for enh.nced catalytic activity and stability in ph.toredox reactions

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Rare Metals 2024年第6期43卷 2682-2694页

作者： Jie h. h.ng-Xin Lao Xiu-Wu Xu Wei-Kang Wang Le-Le Wang qin-qin Liu Sch.ol of Materials Science and Engineering Jiangsu UniversityZhenjiang 212013China College of Ch.mistry and Materials Engineering Research Center of Carbon NeutralityAnhui Normal UniversityWuhu 241002China Fujian Provincial Key Laboratory of Ecology-Toxicological Effects and Control for Emerging Contaminants Putian UniversityPutian 351100China

Th.ugh.th.re are numerous intrinsic merits of metal-organic frameworks(MOFs),low ch.rge separation efficiency h.s imposed h.avy restrictions on th.ir ph.tocatalytic ***,in situ porph.rin ligand substitution,as a strategy for improving th. ch.rge separation efficiency and increasing th. amounts of active sites,h.s been designed and realized in a h.-biph.nyl dicarboxylic acid(BPDC)***,a size and geometry match.d meso-tetra(4-carboxyph.nyl)porph.rin(TCPP)ligand was selected and doped into h.-BPDC MOF by forming coordinating bonds with.h. centers,forming dualligand h.-BPDC-TCPP *** resultant h.-BPDC-TCPP MOF sh.wed significantly improved activity and ch.mical stability in th. ph.tocatalytic h.(2)generation(261μmol·g^(-1)·h.(-1))and tetracycline(TC)degradation reactions(95.8%),wh.ch.was 48 and 1.47 folds h.gh.r th.n th.t of th. h.-BPDC *** and electroch.mical studies revealed th.t th. introduction of porph.rin ligand could generate a stronger internal electric field for boosting th. ch.rge separation and transfer,increase th. specific surface area for providing more active sites,and narrow th. band gap to enh.nce th. visible ligh. *** in situ ligand substitution meth.d provides a promising approach.to build a tunable platform for constructing h.gh.performance MOF ph.tocatalysts.

关键词： Ligand substitution Metal organic frameworks Meso-tetra(4-carboxyph.nyl)porph.rin h.drogen evolution reaction Tetracycline degradation

ZnMn_(3)O_(7):A New Layered Cath.de Material for Fast-Ch.rging Zinc-Ion Batteries

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Ch.nese Journal of Structural Ch.mistry 2022年第5期41卷 85-92页

作者： Ruitao Sun qin Liu Wenzh.o Deng CAS Key Laboratory of Design and Assembly of Functional Nanostructures and Fujian Key Laboratory of NanomaterialsState Key Laboratory of Structural ChemistryFujian Institute of Research on the Structure of MatterChinese Academy of SciencesFuzhou 350002China University of Ch.nese Academy of Sciences Beijing 100039China

Low-cost and h.gh.energy-density manganese-based compounds are promising cath.de materials for rech.rgeable aqueous zinc-ion batteries(AZIBs),h.wever,th.y often experience cycling instability issues and inferior rate ***,we report a new layered manganese-based cath.de material,ZnMn_(3)O_(7)(ZMO),wh.ch.possesses a large interlayer spacing of 4.8Åand allows th. intercalation of~1.23 Zn-ions per formula unit(corresponding to a capacity of~170 mAh.g).Importantly,ZMO exh.bits good cycling stability(72.9%capacity retention over 400 cycles),ultrafast-ch.rging capability(73%state of ch.rge in 1.5 min),and an ultrah.gh.power density(3510 W/kg at 88 Wh.kg).Th.ough.kinetic ch.racterization,th. favorable diffusion of ions and th. dominant capacitor contribution are found to be conducive to th. ach.evement of superior fast ch.rging ***,th. ch.rge storage mech.nism is revealed by ex-situ XRD and ex-situ *** work may sh.d ligh. on th. design of h.gh.performance electrode materials for AZIBs.

关键词： layered structure zinc-manganese oxide cath.de zinc-ion battery

Experimental study of th. sh.inkage beh.vior of cemented paste backfill

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Journal of Rock Mech.nics and Geotech.ical Engineering 2021年第3期13卷 545-554页

作者： Jiah.o qin Jian Zh.ng Li Li Research.Institute on Mines and th. Environment(RIME UQAT-Polytech.ique) Department of CivilGeological and Mining EngineeringÉcole Polytechnique de MontréalMontréalQuébecH3C 3A7Canada

Cemented paste backfill(CPB)is largely used in underground mine stopes *** a CPB is placed in a stope,an important task is to estimate th. settlement associated with.th. sh.inkage and selfweigh. consolidation of th. *** is closely related to th. volume management to ensure th. stability of barricades and tigh. contacts between th. backfill and stope *** th. years,sh.inkage studies were mostly performed on fine-grained soils(silts and clays),with.only a few publications on th. sh.inkage beh.vior of uncemented *** study h.s been publish.d on th. sh.inkage beh.vior of *** fill th.s gap,a series of sh.inkage tests h.s been conducted on CPB with.different cement contents,including zero cement content(uncemented paste backfill,uCPB).Th. results sh.w th.t th. sh.inkage response of CPB is very different from th.t of *** a given initial water content,CPB exh.bits a sh.rter normal sh.inkage stage th.n *** unsaturation onset water content and void ratio,sh.inkage limit and final void ratio of CPB are generally h.gh.r th.n th.se of *** a given cement content,th. sh.inkage beh.viors of CPB and uCPB are significantly influenced by th. initial water content.

关键词： Cemented paste backfill(CPB) Sh.inkage Evaporation Underground mine stopes Volume variation

Ch.racteristics of extreme rainfall and rainbands evolution of Super Typh.on Lekima (2019) during its landfall

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Frontiers of Earth.Science 2022年第1期16卷 64-74页

作者： Ch.nyi XIANG Liguang WU Nannan qin Key Laboratory of Meteorological Disaster(Ministry of Education) Nanjing University of Information Science and TechnologyNanjing 210044China National Meteorological Center Beijing 100081China Department of Atmosph.ric and Oceanic Sciences and Institute of Atmosph.ric Sciences Fudan UniversityShanghai 200433China

As one of th. most devastating tropical cyclones over th. western North.Pacific Ocean,Super Typh.on Lekima(2019)h.s caused a wide range of h.avy rainfall in *** on th. CMA Multi-source merged Precipitation Analysis System(CMPAS)-h.urly data set,both.th. temporal and spatial distribution of extreme rainfall is *** is found th.t th. h.avy rainfall associated with.Lekima includes th.ee main episodes with.peaks at 3,14 and 24 h.after landfall,*** first two rainfall episodes are related to th. symmetric outburst of th. inner rainband and th. persistence of outer *** th.rd rainfall episode is caused by th. influence of cold,dry air from h.gh.r latitudes and th. periph.ral circulation of th. warm moist tropical *** averaged rainrate of inner rainbands underwent an obvious outburst with.n 6 h.after *** asymmetric component of th. inner rainbands experienced a transport from North.West)quadrant to East(South.quadrant after landfall wh.ch.was related to th. storm motion oth.r th.n th. Vertical Wind Sh.ar(VWS).Meanwh.le th. outer rainband in th. vicinity of th.ee times of th. Radius of Maximum Wind(RMW)was active over a 12-h.period since th. decay of th. inner *** asymmetric component of th. outer rainband experienced two significant cyclonical migrations in th. north.rn semicircle.

关键词： extreme rainfall rainband evolution landfalling tropical cyclone

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Th.rmally activated delayed fuorescent small molecule sensitized fuorescent polymers with.reduced concentration‑quench.ng for efcient electroluminescence

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Frontiers of Optoelectronics 2023年第1期16卷 41-48页

作者： qin Xue Mingfang h.o Guoh.a Xie Department of Ph.sical Science and Tech.ology Central China Normal UniversityWuhan 430079China Sauvage Center for Molecular Sciences Hubei Key Lab on Organic and Polymeric Optoelectronic MaterialsDepartment of ChemistryWuhan UniversityWuhan 430072China Wuh.n National Laboratory for Optoelectronics Huazhong University of Science and TechnologyWuhan 430074China

Th.rmally activated delayed fuorescence(TADF)small molecule bis-[3-(9,9-dimeth.l-9,10-dih.droacridine)-ph.nyl]-sulfone(m-ACSO2)was used as a universal h.st to sensitize th.ee conventional fuorescent polymers for maximizing th. electroluminescent *** excitons were utilized via inter-molecular energy transfer and th. non-radiative decays were successfully refrained in th. condensed ***,th. signifcant enh.ncement of th. electroluminescent efciencies was *** instance,after doping poly(9,9-dioctylfuorene-co-benzoth.adiazole)(F8BT)into m-ACSO2,th. external quantum efciency(EQE)was improved by a factor of 17.0 in th. solution-processed organic ligh.-emitting device(OLED),as compared with.th. device with.neat *** terms of th. oth.r well-known fuorescent polymers,i.e.,poly(para-ph.nylene vinylene)copolymer(Super Yellow,SY)and poly[2-meth.xy-5-(2-eth.lh.xyloxy)-1,4-ph.nylenevinylene](MEh.PPV),th.ir EQEs in th. devices were respectively enh.nced by 70%and 270%,compared with.th. reference devices based on th. conventional h.st 1,3-di(9h.carbazol-9-yl)benzene(mCP).Besides th. improved ch.rge balance in th. bipolar TADF h.st,th.se were partially ascribed to reduced fuorescence quench.ng in th. mixed flms.

关键词： Th.rmally activated delayed fuorescence(TADF) Organic ligh.-emitting device(OLED) Sensitization Energy transfer Solution process

Dimer of Bis[trans-5-meth.l-2-[2-(4-meth.xylph.nyl)eth.nyl]-benzoxazole]di-μ-nitratosilver(I)

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Ch.nese Journal of Structural Ch.mistry 2004年第5期23卷 532-536页

作者： LIUh.i-Min Zh.NGWei XINYing Zh.NGWen-qin （DepartmentofCh.mistry TianjinUniversityTianjin300072China

Th. title complex [AgNO3(C17h.5NO2)2]2 was synth.sized and ch.racterized by X-ray diffraction analysis. Th. compound crystallizes in triclinic, space group P with.a = 11.226(7), b = 11.906(7), c = 12.144(7) , = 99.796(10), = 91.631(10), = 101.225(10), V = 1565.6(16) 3, Z = 1, Mr = 1400.96, Dc = 1.486 g/cm3, F(000) = 716 and (Mo-K? = 0.697 mm-1. Th. final R and wR are 0.0401 and 0.0995, respectively for 5492 independent observable reflections with.I > 2(I). Th. results sh.w th.t th. central Ag atom is four-coordinated with.two O atoms from two distinct NO3- anions and two N atoms from two trans-5-meth.l-2-[2-(4-meth.xylph.nyl)eth.nyl]- benzoxazole ligands, and th. two Ag atoms bridged with.two O atoms give an interesting Ag-O-Ag-O parallelogram structure. Th. coordination sph.re of Ag atom exh.bits a h.avily distorted tetrah.dral geometry and th. coordination angles lie in th. range of 66.73(12)～129.59(10). Th. intra- molecular dih.dral angles between th. benzoxazolyl and ph.nyl planes are 4.1(3) and 2.9(3), respectively.

关键词： synth.sis crystal structure trans-2-styrylbenzoxazole silver complex