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Machine learning aided investigation on the structure-performance correlation of MOF for membrane-based He/H2 separation

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Green Chemical Engineering 2024年第4期5卷 526-532页

作者： Shitong Zhang Yanjing He Zhengqing Zhang Chongli Zhong State Key Laboratory of Separation Membranes and Membrane Processes Tiangong University School of Chemical Engineering and Technology Tiangong University School of Textile Science and Engineering Tiangong University

The separation of He/H2using membrane technology has gained significant interest in the field of He extraction from natural gas. One of the greatest challenges associated with this process is the extremely close kinetic diameters of the two gas molecules, resulting in low membrane selectivity. In this study, we investigated the structure-performance relationship of metal-organic framework（MOF） membranes for He/H2separation through molecular simulations and machine learning approaches. By conducting molecular simulations, we identified the potential MOF membranes with high separation performance from the Computation-Ready Experimental（Co RE）MOF database, and the diffusion-dominated mechanism was further elucidated. Moreover, random forest（RF）-based machine learning models were established to identify the crucial factors influencing the He/H2separation performance of MOF membranes. The pore limiting diameter（PLD） and void fraction（φ）, are revealed as the most important physical features for determining the membrane selectivity and He permeability, respectively. Additionally, density functional theory（DFT） calculations were carried out to validate the molecular simulation results and suggested that the electronegative atoms on the pore surfaces can enhance the diffusion-based separation of He/H2, which is critical for improving the membrane selectivities of He/H2. This study offers useful insights for designing and developing novel MOF membranes for the separation of He/H2at the molecular level.

关键词： He/H 2 Membrane separation Molecular simulation Machine learning DFT calculation

The Strategic Analysis of Demand Forecast-Sharing in a Hybrid-Format Online Platform Supply Chain

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Journal of Systems Science and Systems Engineering 2024年第3期33卷 281-310页

作者： Jing Zhao Zijun Yin Guobiao Zhou School of Mathematical Sciences Tiangong UniversityTianjin300387China

This paper examines the optimal forecast-sharing strategy in a hybrid-format online platform supply chain where a supplier sells a product through agency format and reselling format provided by a platform retailer who possesses demand forecasts from two *** asymmetry and co-opetitive relationship arise between the platform retailer and the supplier,which affect their operational decisions and the supply chain’s *** improve supply chain efficiency,we compare different forecast-sharing strategies(i.e.,no forecast sharing,sharing a single forecast,and sharing two forecasts),and analyze the effects of co-opetitive parameters on the optimal forecast-sharing *** analysis shows that forecast sharing is always beneficial to the supplier,and sharing two forecasts is more beneficial than sharing a single *** for the platform retailer and the whole supply chain,forecast sharing is beneficial only under certain conditions,depending on the co-opetitive *** optimal forecast-sharing strategy is the result of a combination of the negative effect of double marginalization in reselling channel and the positive effect of responding pricing to demand uncertainty in agency *** illustrate the parameter regions of the platform retailer’s voluntary sharing,contract sharing,and no sharing,and also find that higher channel competition intensity,higher market share of agency channel,and higher commission rate can promote the platform retailer’s voluntary *** study extends the research scope of demand forecast-sharing and sheds light on the decision-making processes for managing a hybrid-format online platform supply chain.

关键词： Supply chain management hybrid-format online platform demand forecast-sharing co-opetitive relationship channel competition intensity

Synthesis and Characterization of Nonionic Waterborne Polyurethane and Application to Wool Fabric Finishing

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Journal of Wuhan university of Technology(Materials Science) 2024年第2期39卷 497-505页

作者：殷映婷 FENG Mao 姚金波牛家嵘 School of Textile Science and Engineering Tiangong UniversityTianjin 300387China

A nonionic waterborne polyurethane(WPU) was synthesized by the self-emulsification method using polyether diol(N220),isophorone diisocyanate(IPDI),trimethylolpropane poly(ethylene glycol monomethyl ether)(N120),1,4-butanediol(BDO) and trimethylolpropane(TMP) as the main *** effects of the NCO/OH ratio on the emulsion and film properties of NWPU were *** experimental results show that the NWPU prepared at an NCO/OH ratio of 1.1 has good emulsion stability and easy film formation,and the resultant film was elastic,soft,and *** sample was used for wool finishing and the application performance was *** the NWPU dosage reached 40 g·L^(-1),the fabric area felt shrinkage rate reduced from 8.97% to 4.75%,the pilling rating raised from grade 2-3 to grade 4,and the whiteness value only decreased by 3.87%.

关键词： waterborne polyurethane nonionic wool finishing anti-pilling anti-shrinking

3D core-shell nanofibers framework and functional ceramic nanoparticles synergistically reinforced composite polymer electrolytes for high-performance all-solid-state lithium metal battery

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Chinese Chemical Letters 2024年第8期35卷 425-432页

作者： Hengying Xiang Nanping Deng Lu Gao Wen Yu Bowen Cheng Weimin Kang State Key Laboratory of Separation Membranes and Membrane Processes Tiangong UniversityTianjin 300387China School of Textile Science and Engineering Tiangong UniversityTianjin 300387China

Satisfactory ionic conductivity,excellent mechanical stability,and high-temperature resistance are the prerequisites for the safe application of solid polymer electrolytes(SPEs)in all-solid-state lithium metal batteries(ASSLMBs).In this study,a novel poly(m-phenylene isophthalamide)(PMIA)-core/poly(ethylene oxide)(PEO)-shell nanofiber membrane and the functional Li_(6.4)La_(3)Zr_(1.4)Ta_(0.6)O_(12)(LLZTO)ceramic nanopar-ticle are simultaneously introduced into the PEO-based SPEs to prepare composite polymer electrolytes(CPEs).The core PMIA layer of composite nanofibers can greatly improve the mechanical strength and thermal stability of the CPEs,while the shell PEO layer can provide the 3D continuous transport channels for lithium *** addition,the introduction of functional LLZTO nanoparticle not only reduces the crys-tallinity of PEO,but also promotes the dissociation of lithium salts and releases more Li^(+)ions through its interaction with the Lewis acid-base of anions,thereby overall improving the transport of lithium ***,the optimized CPEs present high ionic conductivity of 1.38×10^(−4)S/cm at 30℃,signifi-cantly improved mechanical strength(8.5 MPa),remarkable thermal stability(without obvious shrinkage at 150℃),and conspicuous Li dendrites blocking ability(>1800 h).The CPEs also both have good com-patibility and cyclic stability with LiFePO_(4)(>2000 cycles)and high-voltage LiNi_(0.8)Mn_(0.1)Co_(0.1)O_(2)(NMC811)(>500 cycles)*** addition,even at low temperature(40℃),the assembled LiFePO4/CPEs/Li bat-tery still can cycle *** novel design can provide an effective way to exploit high-performance solid-state electrolytes.

关键词： Composite polymer electrolytes Core-shell structured nanofiber Li_(6.4)La_(3)Zr_(1.4)Ta_(0.6)O_(12)ceramic nanoparticle All-solid-state lithium metal batteries Outstanding thermal stability and electrochemical performance

Portable fluorescence instrument for detecting membrane integrity in membrane bioreactor (MBR)

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Frontiers of Environmental Science & Engineering 2024年第2期18卷 121-131页

作者： Yang Yu Changchun Xin Yuxiang Liu Fei Gao Lei Zhang Hui Jia Jie Wang State Key Laboratory of Separation Membranes and Membrane Processes Tiangong UniversityTianjin 300387China School of Environmental Science and Engineering Tiangong UniversityTianjin 300387China School of Environmental Science and Engineering Tianjin UniversityTianjin 300072China Shenyang Academy of Environmental Sciences Shenyang 110167China Cangzhou Institute of tiangong university Tiangong UniversityCangzhou 061000China

This study proposed the design, fabrication, and assembly of membrane integrity detection instruments in membrane bioreactors (MBR) based on fluorescence spectroscopy. Based on the PARAFAC model, we found that the peak at 280/335 nm strengthened after membrane breakage. The peak at 340/430 nm reflected the sludge concentration in the MBR and reduced the influence of internal filtration effects on detection. Therefore, we determined that the dual-LED light source excitation detection system can detect tryptophan-like substances at 280 nm (T-peak) and humic acid at 340 nm (C-peak). T-peak was identified as the core index indicating membrane integrity. Moreover, the C-peak is the reference indicator factor for a sensitive response to changes in the sludge concentration. The portable fluorescence instrument exhibited high sensitivity and good feedback accuracy compared to particle counting and turbidity detection, where the log reduction value was greater than 3.5. This overcomes the disadvantage of false alarms in particle counters and is not affected by the position of the pump system. This portable instrument provides a flexible and highly sensitive method for the assessment of industrial membrane integrity.

关键词： Membrane integrity Fluorescence spectrum Portable instrument Membrane bioreactor

Controllability Gramian-based measures of graph product networks

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Science China(Information Sciences) 2024年第10期67卷 315-331页

作者： Yuequan XIANG Linying XIANG School of Information Science and Engineering Northeastern University School of Artificial Intelligence Tiangong University

This paper addresses the controllability measures of composite networks based on graph products, in which the graph product networks are either Kronecker product networks or Kronecker sum *** primary objective pursued here is to reveal the controllability Gramian-based measure links between the graph product composite network and its subnetworks. First, the analytical expression of the average controllability for the Kronecker product network is derived by using the corresponding controllability measures of its subnetworks. An upper bound of volumetric control energy is further obtained for the Kronecker product network. Then, the upper bounds are derived for the controllability measures of the Kronecker sum network,which provide a valuable reference for designing controllable networks in practical applications. Finally, the controllability of the Kronecker product network is compared with that of the Kronecker sum network, and it is found that when the subnetworks satisfy certain conditions, the Kronecker product network has better average controllability than the Kronecker sum network.

关键词： composite network graph product controllability Gramian-based measure average controllability control energy

Enhanced population of excited single state strategy:Irradiation and ultrasound dual-response and host tumor-driven nanosensitizers construction in triple synergistic therapy

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Nano Research 2024年第6期17卷 5501-5511页

作者： Yaning Li Mengyan Tian Tianyue Yang Jiayu Cao Hongli Chen Jun Guo Pai Liu Yi Liu State Key Laboratory of Separation Membranes and Membrane Processes School of Materials Science and EngineeringTiangong UniversityTianjin 300387China State Key Laboratory of Separation Membranes and Membrane Processes School of ChemistryTiangong UniversityTianjin 300387China State Key Laboratory of Separation Membranes and Membrane Processes School of Life ScienceTiangong UniversityTianjin 300387China State Key Laboratory of Separation Membrane and Membrane Process&Tianjin Key Laboratory of Green Chemical Technology and Process Engineering School of ChemistryTiangong UniversityTianjin 300387China School of Chemical and Environmental Engineering Wuhan Polytechnic UniversityWuhan 430023China Cangzhou Institute of tiangong university Cangzhou 061000China

Phototheranostics is an emerging field in synergistic antitumor therapy in which irradiation and sensitizers are combined to produce reactive oxygen species(ROS),bio-images,and high *** of these are arrived from the energy of sensitizers,which located in excited single state(S_(1)).Undeniably,the decentralization of the S_(1)population indirectly decreases the effect of each individual *** this study,a strategy was proposed for enhancing the S_(1)population,and a sensitizer with mitochondrial targeting property,1,4-indolyl iodinated pyrrolo[3,2-b]pyrrole derivative(2I-TPIS),was assembled into adenosine triphosphate(ATP)-responsive nanoparticles(DPA-2I NPs)to achieve dual responses to irradiation and ultrasonication(US)for application to photo-sonodynamic therapy(PSDT).Compared with monotherapies,2I-TPIS generated more ROS in PSDT,inducing mitochondrial autophagy and apoptosis,which in turn triggered immunogenic cell death(ICD).Subsequently,DPA-2I NPs were constructed and self-assembled with the chemotherapeutic agents DPA-Cd and 2I-TPIS to achieve a triple synergistic strategy involving chemotherapy(CT)and ***-2I NPs exhibited absolute sensitization,intra-tumoral overexpression of ATP,and ***,the biosafety and potent antitumor efficiency of the DPA-2I NP-based“PSDT+CT”therapy were revealed using a 4T1 tumor *** study results provide insights into the design of sensitizers possessing a sufficient S_(1)population and a highly efficient tumor ablation capacity derived from molecular structural modulation,further enabling triple synergistic antitumor therapies,and expanding the clinical application of sensitizers.

关键词： triphosphate(ATP)-activated nano-sensitizers photo-sonodynamic therapy aggregation-induced emission enhanced excited state population

Design Optimization of a Self-circulated Hydrogen Cooling System for a PM Wind Generator Based on Taguchi Method

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CES Transactions on Electrical Machines and Systems 2024年第2期8卷 170-176页

作者： Gaojia Zhu Yunhao Li Longnv Li IEEE School of Electrical Engineering Tiangong UniversityTianjin 300387China

With the continuous improvement of permanent magnet(PM)wind generators'capacity and power density,the design of reasonable and efficient cooling structures has become a *** paper proposes a fully enclosed self-circulating hydrogen cooling structure for a originally forced-air-cooled direct-drive PM wind *** proposed hydrogen cooling system uses the rotor panel supports that hold the rotor core as the radial blades,and the hydrogen flow is driven by the rotating plates to flow through the axial and radial vents to realize the efficient cooling of the *** to the structural parameters of the cooling system,the Taguchi method is used to decouple the structural *** influence of the size of each cooling structure on the heat dissipation characteristic is analyzed,and the appropriate cooling structure scheme is determined.

关键词： Permanent magnet wind generator Hydrogen cooling Taguchi method Fluidic-thermal coupled fields

Trotter–Kato Approximations of Impulsive Neutral SPDEs in Hilbert Spaces

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Acta Mathematica Sinica,English Series 2024年第5期40卷 1229-1243页

作者： Ming LIU Xia ZHANG Ling Fei DAI School of Mathematical Sciences Tiangong UniversityTianjin 300387P.R.China

This paper studies a class of impulsive neutral stochastic partial differential equations in real Hilbert *** main goal here is to consider the Trotter-Kato approximations of mild solutions of such equations in the pth-mean(p≥2).As an application,a classical limit theorem on the dependence of such equations on a parameter is *** novelty of this paper is that the combination of this approximating system and such equations has not been considered before.

关键词： Impulsive neutral stochastic partial diferential equation Trotter-Kato approximations classical limit theorem