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Fate of organophosphate esters from the Northwestern Pacific to the Southern Ocean:Occurrence,distribution,and fugacity model simulation

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Journal of Environmental Sciences 2024年第3期137卷 347-357页

作者： Tengda shi Ruijing Li Jie Fu Chao Hou Hui Gao Guanjie Cheng Haibo Zhang Shuaichen Jin liang Kong Guangshui Na College of Marine Technology and Environment Dalian Ocean UniversityDalian 116023China Laboratory for coastal marine eco-environment process and carbon sink of Hainan province/Yazhou Bay Innovation Institute Hainan Tropical Ocean UniversitySanya 572022China National Marine Environmental Monitoring Center Dalian 116023China College of Marine Ecology and Environment Shanghai Ocean UniversityShanghai 201306China NCS Testing Technology Co. Ltd.Beijing 10081China

Eleven organophosphate esters(OPEs)in the air and seawater were investigated from the northwestern Pacific Ocean to the Southern Ocean during the 2018 Chinese 34th Antarctic Scientific *** concentration of total OPEs ranged from 164.82 to 3501.79 pg/m~3in air and from 4.54 to 70.09 ng/L in *** halogenated OPEs,tri(chloropropyl)phosphate(TCPP)and tri(2-chloroethyl)phosphate(TCEP),were generally more abundant than the non-halogenated OPEs.A levelⅢfugacity model was developed to simulate the transfer and fate of seven OPEs in the air and seawater regions of the central Ross *** model results indicate that OPEs are transferred from the air to the seawater in the central Ross Sea in summer,during which the Ross Sea acts as a final OPE *** and wet deposition dominated the processes involving OPE transfer to *** OPE degradation process was also found to be more pervasive in the atmosphere than in the seawater *** findings highlights the importance of long-range transport of OPEs and their air–seawater interface behavior in the Antarctic.

关键词： Organophosphate esters(OPEs) Long-range transport Fugacity model Antarctic Fate

Study on Catalytic Behavior of Iron-based Catalyst with IITP as Electron Donor in the Polymerization of Butadiene

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Chinese Journal of Polymer Science 2024年第5期42卷 612-619,I0007页

作者： shi-liang Xu Ying-Nan Zhao Yao Yu Qi Yang Li-Hua Na Heng Liu Chun-Yu Zhang Xue-Quan Zhang Key Laboratory of Advanced Rubber Material Ministry of EducationSchool of Polymer Science and EngineeringQingdao University of Science&TechnologyQingdao266042China Shandong Provincial College Laboratory of Rubber Material and Engineering School of Polymer Science and EngineeringQingdao University of Science&TechnologyQingdao266042China Key Lab of Rubber-Plastics Ministry of Education/Shandong Provincial Key Lab of Rubber-plasticsSchool of Polymer Science and EngineeringQingdao University of Science&TechnologyQingdao266042China

In this study,a novel iron-based catalyst system,Fe(acac)3/(isocyanoimino)triptenylphosphorane(IITP)/AlR3,was employed for the synthesis of syndiotactic 1,2-polybutadiene in *** catalyst system exhibits remarkably high catalytic activity,achieving a polymerization activity of 762 kgpolymer·molcatalyst^(-1)·h^(-1)at 50℃with a[BD]/[Fe]molar ratio of ***,living polymerization characteristic were observed during the investigation of the polymerization kinetics of 1,3-butadiene *** characteristics were well demonstrated by a narrow molecular weight distribution(PDI≈2.0)of the resulting polybutadiene and a linear relationship between-ln(1-c)and polymerization time as well as number average molecular weight and polymer *** resultant polymer showed a 1,2-selectivity of approximately 76%and stereoregularity ranging from 62%to 73%(rrrr).Additionally,through kinetic studies on polymerization reaction,an apparent activation energy Ea value of this catalytic system was calculated to be 84.98 kJ·mol^(-1),which suggests that high polymerization temperature favors efficient polymerization.

关键词： Iron catalyst Syndiotactic 1,2-polybutadiene Elastomers Donor Selectivity

Outage Probability Analysis for D2D-Enabled Heterogeneous Cellular Networks with Exclusion Zone:A Stochastic Geometry Approach

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工程与科学中的计算机建模(英文) 2024年第1期138卷 639-661页

作者： Yulei Wang Li Feng Shumin Yao Hong liang Haoxu shi Yuqiang Chen School of Computer Science and Engineering Macao University of Science and TechnologyTaipaMacaoChina Department of Broadband Communication Peng Cheng LaboratoryShenzhenChina School of Artificial Intelligence Dongguan PolytechnicDongguanChina

Interference management is one of the most important issues in the device-to-device(D2D)-enabled heterogeneous cellular networks(HetCNets)due to the coexistence of massive cellular and D2D devices in which D2D devices reuse the cellular *** alleviate the interference,an efficient interference management way is to set exclusion zones around the cellular *** this paper,we adopt a stochastic geometry approach to analyze the outage probabilities of cellular and D2D users in the D2D-enabled *** main difficulties contain three aspects:1)how to model the location randomness of base stations,cellular and D2D users in practical networks;2)how to capture the randomness and interrelation of cellular and D2D transmissions due to the existence of random exclusion zones;3)how to characterize the different types of interference and their impacts on the outage probabilities of cellular and D2D *** then run extensive Monte-Carlo simulations which manifest that our theoretical model is very accurate.

关键词： Device-to-device(D2D)-enabled heterogeneous cellular networks(HetCNets) exclusion zone stochastic geometry(SG) Matérn hard-core process(MHCP)

Bioinspired anti-freezing 3D-printable conductive hydrogel microfibers for highly-sensitive and wide-range detection of ultralow and high strains

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Green Chemical Engineering 2024年第1期5卷 132-143页

作者： Yi-Min Yang Ting-Yuan Hu Haidong Fan Lu shi shi-Yuan Zhang Zhuang Liu Xiao-Jie Ju Rui Xie Wei Wang liang-Yin Chu School of Chemical Engineering Sichuan UniversityChengdu610065China Department of Mechanics Sichuan UniversityChengdu610065China State Key Laboratory of Polymer Materials Engineering Sichuan UniversityChengdu610065China

Soft strain sensors that can transduce stretch stimuli into electrical readouts are promising as sustainable wearable ***,most strain sensors cannot achieve highly-sensitive and wide-range detection of ultralow and high *** by bamboo structures,anti-freezing microfibers made of conductive poly(vinyl alcohol)hydrogel with poly(3,4-ethylenedioxythiphene)-poly(styrenesulfonate)are developed via continuous microfluidic *** microfibers provide unique bamboo-like structures with enhanced local stress to improve both their length change and resistance change upon stretching for efficient signal *** microfibers allow highlysensitive(detection limit:0.05%strain)and wide-range(0%-400%strain)detection of ultralow and high strains,as well as features of good stretchability(485%strain)and anti-freezing property(freezing temperature:-41.1°C),fast response(200 ms),and good *** experimental results,together with theoretical foundation analysis and finite element analysis,prove their enhanced length and resistance changes upon stretching for efficient signal *** integrating microfluidic spinning with 3D-printing technique,the textiles of the microfibers can be flexibly *** microfibers and their 3D-printed textiles enable highperformance monitoring of human motions including finger bending and throat vibrating during *** work provides an efficient and general strategy for developing advanced conductive hydrogel microfibers as highperformance wearable strain sensors.

关键词： Conductive hydrogel microfibers Microfluidics Sensitive detection Wide detection range Anti-freezing

Stepwise colloidal lithography toward scalable and various planar chiral metamaterials

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Rare Metals 2024年第2期43卷 723-735页

作者： Xiu Yang Yong Liu Fei-liang Chen Qian-Qi Lin Rohit Chikkaraddy Shan-Shan Huang shi-Lin Xian Yi-Dong Hou Jing-Lei Du liang-Ping Xia Chun-Lei Du School of Electronic Science and Engineering University of Electronic Science and Technology of ChinaChengdu610054China School of Optoelectronic Science and Engineering University of Electronic Science and Technology of ChinaChengdu610054China Zhuhai Multiscale Optoelectronics Technology Co. Ltd.Zhuhai915060China Hybrid Materials for Opto-Electronics Group Department of Molecules and MaterialsMESA+Institute for NanotechnologyMolecules Center and Center for Brain-Inspired Nano SystemsFaculty of Science and TechnologyUniversity of Twente7500 AEEnschedeThe Netherlands School of Physics and Astronomy University of BirminghamBirminghamB152TTUK College of Physics Sichuan UniversityChengdu610065China Key Laboratory of Micro Nano Optoelectronic Devices and Intelligent Perception Systems Yangtze Normal UniversityChongqing408100China

Chiral metamaterials(CMs)composed by artificial chiral resonators have attracted great attentions in the recent decades due to their strong chiroptical resonance and identifiable interaction with chiral materials,facilitating practical applications in chiral biosensing,chiral emission,and display ***,the complex geometry of CMs improves the fabrication difficulty and hinders their scalable fabrication for practical applications,especially in the visible and ultraviolet *** potential strategy is the colloidal lithography that enables parallel fabrication for scalable and various planar ***,we demonstrate a stepwise colloidal lithography technique that uses sequential deposition from multiple CMs and expand their variety and *** geometry and optical chirality of building blocks from single deposition are systematically investigated,and their combination enables a significant extension of the range of chiral patterns by multiple-step *** approach resulted in a myriad of complex designs with different characteristic sizes,compositions,and shapes,which are particularly beneficial for the development of nanophotonic *** addition,we designed a flexible chiral device based on PDMS,which exhibits a good CD value and excellent stability even after multiple inward and outward *** excellent compatibility to various substrates makes the planar CMs more flexible in practical applications in microfluidic biosensing.

关键词： Chiral metamaterials Colloidal lithography Nanophotonics Metasurfaces Plasmonics Nanofabrications Flexible devices

Discrete element modeling and parameter calibration of safflower biomechanical properties

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International Journal of Agricultural and Biological Engineering 2024年第2期17卷 37-46页

作者： Zhenguo Zhang Chao Zeng Zhenyu Xing Peng Xu Quanfeng guo Ruimeng shi Yunze Wang College of Mechanical and Electrical Engineering Xinjiang Agricultural UniversityUrumqi 830052China Key Laboratory of Xinjiang Intelligent Agricultural Equipment Xinjiang Agricultural UniversityUrumqi 830052China

Understanding the biomechanical properties of safflowers is essential for appropriately designing harvesting machinery and optimizing the harvesting *** is a flexible crop that lacks a basis for relevant simulation parameters,which causes difficulties in designing harvesting *** this study,a calibration method for safflowers was ***,a discrete element model was established by measuring the intrinsic parameters of a safflower,such as its geometric parameters,density,Poisson’s ratio,and modulus of ***,the contact and bonding parameters were calibrated using a combination of physical and simulation *** the contact parameter tests,the Hertz-Mindlin(no-slip)model was implemented for the stacking angle tests conducted regarding the safflower filament.A regular two-level factorial design was used to determine the important factors and perform the steepest climb ***,the Box-Behnken design was adopted to obtain the optimal contact *** the bonding parameter tests,the Hertz-Mindlin model with bonding contact was applied for the safflower shear simulation tests;moreover,the optimum bonding parameters were obtained through the central composite design *** results demonstrated that the relative errors between the simulated and measured stacking angles and maximum shear were 3.19%and 5.29%,*** a result,the safflower simulation parameters were accurately calibrated,providing a reference for appropriately setting the simulation parameters and designing key mechanical components.

关键词： safflower DEM parameter calibration shear test biomechanical properties

Deciphering TADF Mechanisms in Metal-Free Organic Emitters BrA-HBI:Utilizing Optimally Tuned Range-Separated Functionals for Insight

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Chinese Physics Letters 2024年第9期41卷 28-37页

作者： Chunyue Yu Hang Yin Jie guo Wentian Zhang Ying shi Institute of Atomic and Molecular Physics Jilin UniversityChangchun 130012China

Metal-free organic emitters,characterized by their thermally activated delayed fluorescence(TADF)properties,offer considerable promise for the creation of highly efficient organic light-emitting diodes(OLEDs).Recently,Shao et *** a novel excited state intramolecular proton transfer(ESIPT)system BrA-HBI,demonstrating an emission quantum yield of up to 50%[***.32,2201256(2022)].However,many open issues cannot be answered solely by experimental means only and require detailed theoretical *** instance,what causes the activation of TADF from the Keto*tautomer and leads to fluorescence quenching in the Enol^(*)form?Herein,we provide a theoretical investigation on the TADF mechanism of the BrA-HBI molecule by optimally tuned range-separated *** findings reveal that ESIPT occurs in the BrA-HBI ***,we have disclosed the reason for the fluorescence quenching of the Enol^(*)form and determined that the T_(2)state plays a dominant role in the TADF *** addition,double hybrid density functionals method was utilized to verify the reliability of optimally tuned range separation functionals on the calculation of the TADF mechanism in *** findings not only provide a theoretical reference for development of highly efficient organic light-emitting diodes,but also demonstrate the effectiveness of the optimally tuned range-separated functionals in predicting the luminescence properties of TADF molecules.

关键词： optimal finding separated

Simulation and test on the operation process of an intermittent filmpicking component on full-film mulched double ditches

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International Journal of Agricultural and Biological Engineering 2024年第1期17卷 99-108页

作者： Fei Dai Feng Wang Wenjuan guo Ruijie shi Shanglong Xin Xiaolong Liu Wuyun Zhao College of Mechanical and Electrical Engineering Gansu Agricultural UniversityLanzhou 730070China School of Cyber Security Gansu University of Political Science and LawLanzhou 730070China

In view of the problems in operation process of fixed rake-type residual recycling component,such as poor individual profiling effect in film picking,easy clogging of the compound of films,soil and corn stubbles,high power consumption in film picking,and strong disturbance to seedbed soil,in this study,an operation model of intermittent filmpicking on full-film mulched double ditches was proposed and an intermittent film picking component was *** DEMMBD coupled algorithm was adopted for numerical simulation on the operation process of the intermittent film-picking component on full-film mulched double ditches,and a comparative analysis was carried out on the seedbed disturbance effect and resistance variation characteristics in film-picking by fixed and intermittent film-picking *** taking the forward speed in film-picking,cam arrangement angle of the film-picking component and rotating speed of the cam shaft as independent variables,film-picking rate as the response value,a mathematical model between test factors and the film-picking rate was established,to explore the influence order of the factors on film-picking rate,and the optimal working parameters of the intermittent film-picking component were obtained as follows:the forward speed in film-picking was 2 km/h,cam arrangement angle was 180°,rotating speed of the cam shaft was 120 r/*** the optimal parameter combination,the average film-picking rate of the simulation test was 96.1%.Field test showed that,the average film-picking rate of the intermittent film-picking component was 95.6%,and 0.5%higher than that of the simulation *** working condition of the sample machine was basically consistent with the simulation process,and can accurately represent the operation mechanism of intermittent film-picking on full-film mulched double ditches,showing that the established discrete element simulation model and its parameters were accurate and reasonable.

关键词： full-film mulched double ditches residual film recovery intermittent film-picking component DEM-MBD parameter optimization

Pilot Test of Preparing 2-Alkylanthraquinone Using Alkylation-Oxidation Technology

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China Petroleum Processing & Petrochemical Technology 2024年第1期26卷 88-97页

作者： Zheng Bo Qian Jianguo shi Peng Pan Zhiyong Qie Siyuan Zhang Yueqin Fei Jianqi Qiao liang Zong Baoning SINOPEC Research Institute of Petroleum Processing Co. LtdBeijing 100083 shijiazhuang United Petrochemical Co. LtdShijiazhuang 050011

To expedite the development of industrial technology for producing 2-alkylanthraquinone,a novel pilot test of alkylation-oxidation technology was *** process mainly included anthracene alkylation,separation of anthracene and 2-alkylanthracene,oxidation of 2-alkylanthracene,and product *** alkylation conditions yielded a 91.1%conversion of anthracene and a 71.73%selectivity for *** address the separation problem of anthracene and 2-alkylanthracene,solvent-assisted distillation technology was developed,resulting in a 98.9%purity of 2-alkylanthracene and a 91.82%separation *** the molar ratio of H2O_(2) to 2-alkylanthracene was 7:1,a 98.96%conversion of 2-alkylanthracene and a 99.94%selectivity for 2-alkylanthraquinone were achieved.A novel composition of 2-alkylanthraquinone,including 2-tert-butylanthraquinone,2-tert-amylanthraquinone,and 2-hexylanthraquinone,was *** composition could be effectively separated and purified through a combination of crystallization and washing *** elemental composition of the product met the existing standards,and its hydrogenation performance closely matched that of commercially available 2-tert-amylanthraquinone products.

关键词： anthracene 2-alkylanthracene 2-alkylanthraquinone alkylation oxidation hydrogen peroxide