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Numerical Stability and Accuracy of Contact Angle Schemes in Pseudopotential Lattice Boltzmann Model for Simulating Static Wetting and Dynamic Wetting

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Computer Modeling in Engineering & Sciences 2023年第10期137卷 299-318页

作者： dongmin wang Gaoshuai Lin Key Laboratory of Multiphase Flow and Heat Transfer in Shanghai Power Engineering School of Energy and Power EngineeringUniversity of Shanghai for Science and TechnologyShanghai200093China Jiangsu Key Laboratory of Micro and Nano Heat Fluid Flow Technology and Energy Application Suzhou University of Science and TechnologySuzhou215009China

There are five most widely used contact angle schemes in the pseudopotential lattice Boltzmann(LB)model for simulating the wetting phenomenon:The pseudopotential-based scheme(PB scheme),the improved virtualdensity scheme(IVD scheme),the modified pseudopotential-based scheme with a ghost fluid layer constructed by using the fluid layer density above the wall(MPB-C scheme),the modified pseudopotential-based scheme with a ghost fluid layer constructed by using the weighted average density of surrounding fluid nodes(MPB-W scheme)and the geometric formulation scheme(GF scheme).But the numerical stability and accuracy of the schemes for wetting simulation remain unclear in the *** this paper,the numerical stability and accuracy of these schemes are clarified for the first time,by applying the five widely used contact angle schemes to simulate a two-dimensional(2D)sessile droplet on wall and capillary imbibition in a 2D channel as the examples of static wetting and dynamic wetting simulations respectively.(i)It is shown that the simulated contact angles by the GF scheme are consistent at different density ratios for the same prescribed contact angle,but the simulated contact angles by the PB scheme,IVD scheme,MPB-C scheme and MPB-W scheme change with density ratios for the same fluid-solid interaction *** PB scheme is found to be the most unstable scheme for simulating static wetting at increased density ratios.(ii)Although the spurious velocity increases with the increased liquid/vapor density ratio for all the contact angle schemes,the magnitude of the spurious velocity in the PB scheme,IVD scheme and GF scheme are smaller than that in the MPB-C scheme and MPB-W scheme.(iii)The fluid density variation near the wall in the PB scheme is the most significant,and the variation can be diminished in the IVD scheme,MPB-C scheme *** variation totally disappeared in the GF scheme.(iv)For the simulation of capillary imbibition,the MPB-C scheme,MPB-Wschem

关键词： Pseudopotential lattice Boltzmann model contact angle scheme static wetting dynamic wetting capillary imbibition

Triplet bismuthinidenes featuring unprecedented giant and positive zero field splittings

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National Science Review 2023年第10期10卷 79-85页

作者： Mengyuan Wu wang Chen dongmin wang Yizhen Chen Shengfa Ye Gengwen Tan Innovation Center for Chemical Sciences Key Laboratory of Organic Synthesis of Jiangsu ProvinceCollege of ChemistryChemical Engineering and Materials Science Soochow University State Key Laboratory of Catalysis Dalian Institute of Chemical Physics Chinese Academy of Sciences University of Chinese Academy of Sciences Key Laboratory of Bioinorganic and Synthetic Chemistry of Ministry of Education School of ChemistryIGCME Sun Yat-sen University State Key Laboratory of Elemento-Organic Chemistry Nankai University

Isolation of triplet pnictinidenes,which bear two unpaired electrons at the pnictogen centers,has long been a great challenge due to their intrinsic high ***,we report the syntheses and characterizations of two bismuthinidenes MsFluindtBu-Bi(3) and MsFluind*-Bi(4) stabilized by sterically encumbered hydrindacene *** were facilely prepared through reductions of the corresponding dichloride precursors with 2 molar equivalents of potassium *** structural analyses revealed that 3 and 4contain a one-coordinate bismuth atom supported by a Bi-C single σ *** a consequence,the remaining two Bi 6p orbitals are nearly degenerate,and 3 and 4 possess triplet ground *** characterizations with multinuclear magnetic resonance,magne tome try and near infrared spectroscopy coupled to wavefunction based ab initio calculations concurred to evidence that there exist giant and positive zero field splittings(>4300 cm-1) in their S=1 ground *** even at room temperature the systems almost exclusively populate the lowest-energy nonmagnetic Ms=0 level,which renders them seemingly diamagnetic.

关键词： bismuth bismuthinidene triplet state zero field splitting theoretical calculation

An Isolable Phosphinogermylyne as a Synthon of One-Coordinate GeⅠRadical

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Chinese Journal of Chemistry 2024年第7期42卷 736-742页

作者： dongmin wang Haonan Chen Yuhao He Xiaodan Chen Li Zhang Gengwen Tan Key Laboratory of Bioinorganic and Synthetic Chemistry of Ministry of Education Guangdong Basic Research Center of Excellence for Functional Molecular EngineeringSchool of ChemistryIGCMESun Yat-Sen UniversityGuangzhouGuangdong 510275China School of Electronic Engineering Guangxi Universityof Science and TechnologyLiuzhouGuangxi 545000China College of Chemistry and Material Jinan UniversityGuangzhouGuangdong 510632China Innovation Center for Chemical Science College of ChemistryChemical Engineering and Materials ScienceSoochow UniversitySuzhouJiangsu 215123China Key Laboratory of Organosilicon Chemistry and Material Technology of Ministry of Education Hangzhou Normal UniversityHangzhouZhejiang 311121China

Reduction of chlorogermylene MsFluindtBu-GeCl 1 with potassium graphite(KC8)afforded putative germylyne radical MsFluindtBu-Ge 2 as confirmed by electron paramagnetic resonance(EPR)***,it slowly decayed via C—H bond activation at the fluorenyl moiety to yield a bis(germylene)3 at room *** using a Lewis base to stabilize the unoccupied p orbital at the GeⅠradical center,acyclic two-coordinate GeⅠradicals MsFluindtBu-Ge(IMe4)4(IMe4=1,3,4,5-tetramethyl-imidazolin-2-ylidene),MsFluindtBu-Ge(IiPr)5(IiPr=1,3-diisopropyl-4,5-dimethyl-imidazolin-2-ylidene),MsFluindtBu-Ge(PMe3)6 were isolated in crystalline *** unpaired electron in 4-6 mainly resides at the Ge 4p orbital as revealed by EPR spectroscopic studies and theoretical ***,facile ligand exchange of PMe3 in 6 with IMe4 and IiPr was observed to afford 4 and 5,***,phosphinogermylyne 6 reacted with PhEEPh(E=S,Se),4-tetrabutylphenylacetylene(Ar'CCH),[CpMo(CO)3]2 and nBu3SnH to furnish germylenes MsFluindtBu-GeEPh(E=S 7,Se 8),MsFluindtBu-GeCH=CHAr'9,a germylyne complex MsFluindtBu-Ge≡Mo(CO)2Cp 10 and a Ge(Ⅳ)compound MsFluindtBu-GeH2SnnBu311,*** reactivity studies demonstrate that 6 can act as a synthon of one-coordinate germylyne radical attributing to labile coordination of trimethylphosphine.

关键词： Phosphinogermylyne Germanium Radicals Donor-acceptor systems Radical reactions

Discrimination of pressed sesame oil:A comparison study of non-targeted UV spectral fingerprints combined with different chemometric methods

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Grain & Oil Science and Technology 2024年第4期7卷 254-261页

作者： dongmin wang Yuxin Liu Jiahui Qian Yake Li Lixia Hou Huamin Liu College of Food Science and Engineering Institute of Special Oilseed Processing and TechnologyHenan University of TechnologyZhengzhou 450001China School of International Education Henan University of TechnologyZhengzhou 450001China

This study explores the utilization of various chemometric analytical methods for determining the quality of pressed sesame oil with different adulteration levels of refined sesame oil using UV spectral *** goal of this study was to provide a reliable tool for assessing the quality of sesame *** UV spectra of 51 samples of pressed sesame oil and 420 adulterated samples with refined sesame oil were measured in the range of 200-330 *** classification and prediction methods,including linear discrimination analysis(LDA),support vector machines(SVM),soft independent modeling of class analogy(SIMCA),partial least squares regression(PLSR),support vector machine regression(SVR),and back-propagation neural network(BPNN),were employed to analyze the UV spectral data of pressed sesame oil and adulterated sesame *** results indicated that SVM outperformed the other classification methods in qualitatively identifying adulterated sesame oil,achieving an accuracy of 96.15%,a sensitivity of 97.87%,and a specificity of 80%.For quantitative analysis,BPNN yielded the best prediction results,with an R^(2) value of 0.99,RMSEP of 2.34%,and RPD value of 10.60(LOD of 8.60%and LOQ of 28.67%).Overall,the developed models exhibited significant potential for rapidly identifying and predicting the quality of sesame oil.

关键词： Pressed sesame oil Refined sesame oil Adulteration detection UV spectra Chemometrics

维普期刊数据库

A Visualized Fusion Protein Based on Self-assembly Hydrophobin HGFI

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Chemical Research in Chinese Universities 2015年第5期31卷 781-786页

作者： ZHAO Liqiang LIU Jinyuan SONG dongmin wang Xiangxiang TAI Feifei XU Haijin QIAO Mingqiang Key Laboratory of Bioaetive Materials Ministry of Education College of Life Sciences Nankai University Tianjin 300071 P. R. China

Hydrophobins are a type be used to modify material surfaces of small amphipathic proteins with a and adsorb enzymes, antibodies and unique self-assembly property, which can even cells. In this study, a fusion protein consisting of hydrophobin HGFI and green fluorescent protein（GFP） was successfully obtained from Pichia patoris （P. pastoris）. Water contact angle（WCA） measurement proves that the wettability of the surfaces of different materials was changed. We further demonstrated the self-assembly ability of HGFI-GFP, which can be used to disperse the multi-walled carbon nanotubes（MWCNTs）. Finally, the adsorption of HGFI-GFP onto the surface of the tissue engineering material poly（ε-caprolactone）（PCL） was evaluated by detecting the fluorescence of the fusion protein itself. The resalt demonstrates that both the basic self-assembly activity of the HGFI domain and the functional activity of the GFP domain were still remained.

关键词： Self-assembly Hydrophobin Fusion protein Dispersion Modification

Association Between Physical Activity and Physical Fitness Among Adults Aged 40 to 79 Years—Beijing,China,2020–2021

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China CDC weekly 2022年第42期4卷 936-940页

作者： Xiaojin Yan Heming Pei Yalu Zhang Ning Kang Gong Chen dongmin wang Institute of Population Research Peking UniversityBeijingChina Department of Physical Education Peking UniversityBeijingChina

Summary What is already known about this topic?Physical fitness is well documented to be associated with physical activity among adults in the United *** China,research on this association places a heavier emphasis on the populations of children and *** is added by this report?Physical fitness was shown to be positively associated with physical activity among adults aged 40 to 79 years in *** populations with lower levels of physical fitness,this association was *** coefficients of the log-transformed metabolic equivalent value of physical activity(logPA)in quantile regression models at the 25th,50th,75th,and 90th percentile of the physical fitness indicators were 1.14,1.04,0.89,and 0.84,respectively.

关键词： Physical logP transformed

Fall Injuries and Depressive Symptoms Among Older Adults and the Mediating Effects of Social Participation—China,2011–2018

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China CDC weekly 2021年第40期3卷 837-841页

作者： Yalu Zhang Lei Zhang Xinhui Zhang Jingjing Sun dongmin wang Gong Chen Institute of Population Research Peking UniversityBeijingChina Department of Physical Education Peking UniversityBeijingChina.

Summary What is already known on this topic?Prior studies found that fall events were associated with a higher level of depressive symptoms and a lower level of social functioning and social *** addition,social partic... 详细信息

关键词： participation Effects symptoms

Roles of hydroxyl and oxygen vacancy of CeO_(2)·xH_(2)O in Pd-catalyzed ethanol electro-oxidation

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Science China Chemistry 2022年第5期65卷 877-884页

作者： Zhenyu Li Jiefei Li Zexuan Zheng Kunhong Jiang Tianrun Zheng dongmin wang Hang Wei Zhiming Shi Xiaotian Li Haibin Chu College of Chemistry and Chemical Engineering Inner Mongolia Engineering and Technology Research Center for Catalytic Conversion and Utilization of Carbon Resource MoleculesInner Mongolia UniversityHohhot 010021China College of Materials Science and Engineering Jilin UniversityChangchun 130022China College of Chemistry Jilin UniversityChangchun 130012China State Key Laboratory of Luminescence and Applications Changchun Institute of OpticsFine Mechanics and PhysicsChinese Academy of SciencesChangchun 130033China

In the field of noble metal-catalyzed alcohol electro-oxidation reaction(AOR),huge attention is paid on the composition,size,facet,and structure of the metals,while the support engineering should also be ***_(2)has been widely used as a unique support in AOR,primarily due to its abundant oxygen vacancies(O_(v)).Herein,we report CeO_(2)·xH_(2)O nanoparticles with both massive hydroxyl groups(OH)and O_(v)remarkably enhance the catalytic activity and stability of Pd toward ethanol oxidation reaction(EOR).The CO striping experiments and density functional theory(DFT)calculations suggest that OH and O_(v)on CeO_(2)·xH_(2)O surface bring about a large downshift of Pd d-band center and a significant weakening of CO absorption on ***,OH and O_(v)also play synergic roles in the removal of toxic ***,the important roles of OH and O_(v)of CeO_(2)·xH_(2)O are confirmed in Pd-catalyzed *** facile CeO_(2)·xH_(2)O-enhanced strategy can contribute to the catalyst design for other energy conversion reactions.

关键词： electrocatalysis ceria hydroxyl oxygen vacancy ethanol oxidation reaction

维普期刊数据库

The Distribution and Potential Exposure Factors of Physical Activity Level Among Middle-Aged and Elderly Population—Six Communities,Beijing,China,October 2020 to January 2021

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China CDC weekly 2022年第27期4卷 593-600页

作者： Heming Pei Ning Kang Fan Yang Xinming Song Gong Chen dongmin wang Institute of Population Research/Institute on Aging Peking UniversityBeijingChina Department of Physical Education Peking UniversityBeijingChina.

Summary What is already known about this topic?Available evidence suggested that 31%of the world’s population do not meet the minimum recommendations for physical *** is added by this report?The latest findings showed that physical activity level(PAL),metabolic equivalents(MET)in min/week with<4,500(low),4,500–6,000(moderate)and≥6,000(high)accounted for 45.72%,25.62%,and 28.66%of middle-aged and elderly population in Changchunyuan Community,Weixiuyuan Community,Zhongguanyuan Community,Yanbeiyuan Community,Kangzeyuan Community,and Xima Community,*** moderate and high PAL was associated with a decreased risk of hypertension,cardiovascular disease,dyslipidemia,and poor *** are the implications for public health practice?More attention should be given to the middle-aged population who may be at high risk of insufficient physical activity in urban environments as it is of public health significance for improving the community population health.

关键词： Population Beijing Middle