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B_(111),B_(112),_(B113),and B_(114):The most stable core-shell borospherenes with an icosahedral B_(12) core at the center exhibiting superatomic behaviors

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Nano Research 2021年第12期14卷 4719-4724页

作者： min Zhang Hai-Gang lu Si-Dian Li Institute of Molecular Science Shanxi UniversityTaiyuan030006China

Boron allotropes are known to be predominately constructed by icosahedral B_(12) cages,while icosahedral-B_(12) stuffing proves to effectively improve the stability of fullerene-like boron nanoclusters in the size range between B_(98)–B_(102).However,the thermodynamically most stable core-shell borospherenes with a B_(12) icosahedron at the center still remains *** on the structural motif of D5h C_(70) and extensive first-principles theory calculations,we predict herein the high-symmetry C5v B111+(3)which satisfies the Wade’s n+1 and n+2 skeletal electron counting rules exactly and the approximately electron sufficient Cs B_(111)(4),Cs B_(112)(5),Cs B_(113)(6),and Cs B_(114)(7)which are the most stable neutral core-shell borospherenes with a B_(12) icosahedron at the center reported to date in the size range between B_(68)–B_(130),with Cs B112(5)being the thermodynamically most favorite species in the *** orbital and bonding analyses indicate that these spherically aromatic species all contain a negatively charged icosahedral B_(122)−core at the center which exhibits typical superatomic behaviors in the electronic configuration of 1S21P61D101F8,with its dangling valences saturated by twelve radial B-B 2c-2eσbonds between the B_(12) inner core and the B_(70) outer *** infrared(IR)and Raman spectra of the concerned species are computationally simulated to facilitate their future characterizations.

关键词： first-principles theory borospherenes structures bonding superatomic behaviors spherical aromaticity

Effect of operating conditions on the performance of riser reactor for oxidative coupling of methane Author links open overlay panel

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Particuology 2024年第8期91卷 235-248页

作者： min Cai Shuangzhu Kong Mengxi Liu Chunxi lu State Key Laboratory of Heavy Oil Processing China University of PetroleumBeijing102249China

Oxidative coupling of methane(OCM)is characterized by high temperature and strong heat released.A riser reactor is designed for the OCM process to improve gas-solid contacting and heat *** work illustrates the effect of hydrodynamic conditions and feed gas composition on the performance of an OCM riser *** findings suggest that oxidative reactions predominantly occur within the acceleration zone and developed flow ***,at the low superficial gas velocity accompanied by a high solid circulating rate,the C_(2)yield initially increases in the acceleration zone,followed by a decrease in the developed flow zone and deceleration *** optimal operating conditions are a specific region corresponding to the solids holdup ranges from 0.015 to ***,the C_(2)yield can be elevated using an appropriate feed mixture.

关键词： Oxidative coupling of methane Riser Hydrodynamics Solids holdup

Renewable biosynthesis of isoprene from wastewater through a synthetic biology approach:the role of individual organic compounds

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Frontiers of Environmental Science & Engineering 2024年第3期18卷 13-24页

作者： min Yang Xianghui Li Weixiang Chao Xiang Gao Huan Wang lu lu State Key Laboratory of Urban Water Resource and Environment School of Civil and Environmental EngineeringHarbin Institute of TechnologyShenzhen 518055China Center for Materials Synthetic Biology CAS Key Laboratory of Quantitative Engineering Biology of CASShenzhen Institute of Synthetic BiologyShenzhen Institutes of Advanced TechnologyChinese Academic of ScienceShenzhen 518000China Institute of Urban Ecology and Environmental Technology School of Materials and Environmental EngineeringShenzhen Polytechnic UniversityShenzhen 518055China

The biosynthesis of isoprene offers a more sustainable alternative to fossil fuel-based approaches,yet its success has been largely limited to pure organic compounds and the cost remains a *** study proposes a waste-to-wealth strategy for isoprene biosynthesis utilizing genetically engineered *** bacteria to convert organic waste from real food *** impact of organic compounds present in wastewater on *** growth and isoprene production was systematically *** results demonstrated that with filtration pretreatment of wastewater,isoprene yield,and production achieved 115 mg/g COD and 7.1 mg/(L·h),***,even without pretreatment,isoprene yield only decreased by~24%,indicating promising ***,maltose,glycerol,and lactate are effective substrates for isoprene biosynthesis,whereas starch,protein,and acetate do not support *** *** optimum C/N ratio for isoprene production was found to be 8:***,augmenting essential nutrients in wastewater elevated the isoprene yield increased to 159 mg/g *** wastewater biosynthesis significantly reduced the cost(44%–53%decrease,p-valuelue<0.01)compared with both sugar fermentation and fossil fuel–based *** study introduced a more sustainable and economically viable approach to isoprene synthesis,offering an avenue for resource recovery from wastewater.

关键词： Wastewater Resource recovery Genetic engineering Biosynthesis Isoprene

Surface iodine and pyrenyl-graphdiyne co-modified Bi catalysts for highly efficient CO_(2) electroreduction in acidic electrolyte

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Nano Research 2024年第4期17卷 2381-2387页

作者： min Zhang Juan Wang Xin Rong Xiu-Li lu Tong-Bu lu MOE International Joint Laboratory of Materials Microstructure Institute for New Energy Materials and Low Carbon TechnologiesSchool of Materials Science and EngineeringTianjin University of TechnologyTianjin 300384China

CO_(2) electroreduction to formic acid/formate would contribute to alleviating the energy and climate *** work reports a Bi-based catalyst derived from the in-situ electroreduction of Bi_(2)O_(2)CO_(3) modified with iodine and pyrenyl-graphdiyne(PGDY)on the surface for efficient electroreduction of CO_(2) in acidic electrolyte,with a high partial current density of 98.71 mA·cm^(-2) and high Faradaic efficiency(FE)>90%over the potential range from^(-1).2 to-1.5 V *** hydrogen electrode(RHE),as well as the long-term operational stability over 240 h without degradation in H-type *** results and density function theory calculations show that the synergistic effect of surface iodine and PGDY is responsible for this active and extremely stable process of CO_(2) electroreduction via lowering the energy barriers for formation of*OCHO intermediate,suppressing the competitive HER by enhancing the concentration of both K+and CO_(2) at reaction interface,as well as preventing the dissolution and re-deposition of active Bi atoms on surface during catalytic *** work provides new insight into designing highly active and stable electrocatalysts for CO_(2) reduction.

关键词： CO_(2) reduction electrocatalysis Bi-based catalysts acidic electrolyte

Theoretical Studies on N_2H+O Reaction

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Chemical Research in Chinese Universities 2008年第3期24卷 371-377页

作者： lu Ying-wen lu Wen-cai SU Zhong-min Jinan Vocational College Jinan 250100 P. R. China State Key Laboratory of Theoretical and Computational Chemistry Jilin University Changchun 130023 P. R. China Institute of Functional Material Chemistry Northeast Normal University Changchun 130024 P. R. China

The N2H＋O potential energy profile was studied at the CCSD（T）/6-311G＋＋（df,p）//MP2/6-311G（d,p） level. Reactions associated with four intermediates（cis-HNNO, trans-HNNO, NNHO, and NNOH） were investigated. The results indicate that N2H＋O reaction toward H＋N2O is more favored than that toward N2＋OH, consistent with previous experimental studies. The pathways for the two reactions are found to go through cis-HNNO, transition state, and finally to the products. The N2H＋O→NH＋NO reaction was studied in detail. Product NO in such a reaction is likely to occur via cis-HNNO, followed by trans-HNNO, and finally dissociates into NH＋NO. These results suggest that N2H＋O→NH＋NO is an important channel in NO production.

关键词： N2H+O NH+NO Potential energy profile

Effects of concave and convex substrate curvature on cell mechanics and the cytoskeleton

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Chinese Chemical Letters 2017年第4期28卷 818-826页

作者： Shuang-Shuang Chen Xue-min lu Qing-Hua lu School of Chemistry and Chemical Engineering State Key Laboratory of Metal Matrix Composites Shanghai Jiao Tong University Shanghai 200240 China

In order to understand how cells respond to concave and convex subcellular surface structures,colloidal crystal array and honeycomb-structured surfaces composed of highly ordered hexagonal units with completely inverse curvature were fabricated via facile self-assembly and breath figure approaches,*** influence of hexagonal surface curvature on cell fate was subsequently *** underwent more extensive spreading on the convex colloidal crystal array surface,while adhesive forces were higher on the concave honeycomb *** behaviors of cells on the different surfaces were investigated by comparing cell morphology,cellular adhesive force and cytoskeleton *** results revealed comprehensive differences in cell behavior between those on concave honeycomb surfaces and convex colloidal crystal arrays.

关键词： Colloidal crystal array Honeycomb structure Substrate curvature Cytoskeleton Adhesive force

Characterization and Catalytic Properties of a Rapidly Quenched Ni-RE-P-Al Catalyst

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Chemical Research in Chinese Universities 2000年第1期16卷 15-20页

作者： MA Ai-zeng lu Wan-zhen zong Bao-ning and min En-ze (Research Institute of Petroleum Processing, Beijing, 100083, P. R. China) 中国石油化工科学研究院北京 100083

A Ni-RE-P-Al catalyst prepared by alkaline extraction of a rapidly quenched Ni-RE-P-Al alloy was characterized by means of ICP, BET, XRD, XPS and TEM. The results show that the rapidly quenched Ni-RE-P-Al alloy contained less crystalline Al_3Ni than Al-Ni alloy. After alkaline extraction, most of Al in the Ni-RE-P-Al alloy was leached out and the resulted Ni-RE-P-Al catalyst presented a sponge structure similar to Raney Ni. Although crystalline Ni is the major phase in the Ni-RE-P-Al catalyst and Raney Ni, amorphous Ni-P phase has been detected in the Ni-RE-P-Al catalyst. Studies on catalytic hydrogenation of toluene, phenyl ethylene, acetylene benzene, nitrobenzene, cyclohexanone and adiponitrile in liquid phase showed that the activity and selectivity of this Ni-RE-P-Al catalyst are superior to those of Raney Ni, especially at low temperatures. The amorphous phase is considered to be responsible for its superior catalytic properties.

关键词： Catalyst Hydrogenation Ethenyl benzene Nickel Adiponitrile Catalyst characterization

A probabilistic model based on the peak-over-threshold approach for risk assessment of airport controllers’performance

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Journal of Safety Science and Resilience 2024年第1期5卷 110-118页

作者： Lili Zu Yijie lu min Dong College of Economics and Management Nanjing University of Aeronautics and AstronauticsNanjing 211106China School of Engineering and Applied Science George Washington UniversityWashington DC 20052USA College of Civil Aviation Nanjing University of Aeronautics and AstronauticsNanjing 211106China

Airport tower control plays an instrumental role in ensuring airport ***,obtaining objective,quantitative safety evaluations is challenging due to the unavailability of pertinent human operation *** study introduces a probabilistic model that combines aircraft dynamics and the peak-over-threshold(POT)approach to assess the safety performance of airport *** applied the POT approach to model reaction times extracted from a radiotelephony dataset via a voice event detection *** model couples the risks of tower control and aircraft operation to analyze the influence of human *** data from radiotele-phony communications and the Base of Aircraft Data(BADA)database,we compared risk levels across *** findings revealed heightened airport control risks under low demand(0.374)compared to typical conditions(0.197).Furthermore,the risks associated with coupling under low demand exceeded those under typical de-mand,with the final approach stage presenting the highest risk(4.929×107).Our model underscores the significance of human factors and the implications of mental disconnects between pilots and controllers for safety ***,these consistent findings affirm the reliability of our probabilistic model as an evaluative tool for evaluating the safety performance of airport tower *** results also illuminate the path toward quantitative real-time safety evaluations for airport controllers within the *** recommend that airport regulators focus on the performance of airport controllers,particularly during the final approach stage.

关键词： Safety evaluation Performance Probabilistic model Task demand Airport controller

Thermodynamics and Kinetics of Bacterial Cellulose Adsorbing Persistent Pollutant from Aqueous Solutions

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Chemical Research in Chinese Universities 2015年第2期31卷 298-302页

作者： lu min lu Xuan XU Xiaohui GUAN Xiaohui School of Chemical Engineering Northeast Dianli University Jilin 132012 P. R. China

The adsorption capability of bacterial cellulose（BC） for anionic dye acid fuchsine was studied. Meanwhile, the processes of the adsorption were investignted and fitted by adsorption isotherm models, adsorption thermodynamics and adsorption kinetics models, respectively. The changes of BC before and after adsorbing acid fuchsine were investigated via scanning electron microscopy（SEM） and Fourier transform infrared spectroscopy（FTIR） to further explain the adsorption mechanism. The results show that acid fuchsine could be effectively adsorbed by BC. The adsorption process was fitted well by Langmuir equation and the pseudo-second order kinetics, indicating that the adsorption process was monolayer molecule adsorption with the main action of chemical adsorption. The adsorption process was spontaneous and endothermic. Glucuronic acid groups and hydroxyl groups were responsible for the adsorption of acid fuchsine on BC.

关键词： Adsorption thermodynamics Adsorption kinetics Persistent pollutant Bacterial cellulose