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Chinese Journal of chemical engineering 2024年第4期68卷 83-93页

作者： Zhihao Yang Li Chen Jian Xue Miaomiao Su Fangdan Zhang Liangxin Ding Suqing Wang Haihui Wang Guangdong Provincial Key Lab of Green chemical Product technology School of Chemistry and Chemical EngineeringSouth China University of TechnologyGuangzhou 510640China Beijing Key Laboratory of Membrane Materials and engineering Department of Chemical EngineeringTsinghua UniversityBeijing 100084China

Separators play a critical role in the safety and performance of lithium-ion ***,commercial polyolefin separators are limited by their poor affinity with electrolytes and low melting *** this work,we constructed a reinforced-concrete-like structure by homogeneously dispersing nano-Al_(2)O_(3) and cellulose on the separators to improve their stability and *** this reinforcedconcrete-like structure,the cellulose is a reinforcing mesh,and the nano-Al_(2)O_(3) acts as concrete to support the *** constructing the reinforced-concrete-like structure,the separators exhibit good stability even at 200℃(thermal shrinkage of 0.3%),enhanced tensile strain(tensile stress of 133.4 MPa and tensile strains of 62%),and better electrolyte wettability(a contact angle of 6.5°).Combining these advantages,the cells with nano-Al_(2)O_(3)@cellulose-coated separators exhibit stable cycling performance and good rate ***,the construction of the reinforced-concretelike structure is a promising technology to promote the application of lithium-ion batteries in extreme environments.

关键词： Alumina Nanomaterials Lithium-ion batteries Membranes Cellulose Reinforced-concrete-like structure

Piezoelectric-enhanced n-TiO2/BaTiO3/p-TiO2 heterojunction for highly efficient photoelectrocatalysis

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Green Energy & Environment 2024年第9期9卷 1466-1476页

作者： Minhua Ai Zihang Peng Xidi Li Faryal Idrees Xiangwen Zhang Ji-Jun Zou Lun Pan Key Laboratory for Green chemical technology of the Ministry of Education School of Chemical Engineering and Technology Tianjin University Collaborative Innovative Center of chemical Science and engineering (Tianjin) Haihe Laboratory of Sustainable chemical Transformations department of Physics University of the Punjab Quaid-e-Azam Campus

Charge separation is critical for achieving efficient solar-to-hydrogen conversion,whereas piezoelectric-enhanced photoelectrochemical（PEC） systems can effectively modulate band bending and charge ***,we design an n-Ti O2/Ba Ti O3/p-Ti O2（TBTm） heterojunction in which the piezoelectric Ba Ti O3layer is sandwiched between n-Ti O2and p-Ti *** built-in electric field of TBTm can provide a strong driving force to accelerate carrier separation and prolong carrier ***,the TBT3 achieves a prominent photocurrent density,as high as 2.13 m A cm-2at 1.23 V versus reversible hydrogen electrode （RHE）,which is 2.4-and 1.5-times higher than Ti O2and Ti O2–Ba Ti O3heterojunction,*** by mechanical deformation,the induced dipole polarization can further regulate built-in electric fields,and the piezoelectric photocurrent density of TBT3-800 is 2.84 times higher than Ti O2at 1.23 V *** due to the construction of *** work provides a piezoelectric polarization strategy for modulating the built-in electric field of heterojunction for PEC system.

关键词： Photoelectrochemical Piezoelectric polarization Heterojunction Charge separation

Flow Regimes in Bubble Columns with and without Internals: A Review

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Fluid Dynamics & Materials Processing 2024年第2期20卷 239-256页

作者： Ayat N.Mahmood Amer A.Abdulrahman Laith S.Sabri Abbas J.Sultan Hasan Shakir Majdi Muthanna H.Al-Dahhan department of chemical engineering University of Technology-IraqBaghdadIraq chemical and Petroleum Industries engineering department Al-Mustaqbal University CollegeBabylonIraq department of chemical and Biochemical engineering Missouri University of Science and TechnologyRollaUSA

Hydrodynamics characterization in terms ofﬂow regime behavior is a crucial task to enhance the design of bubble column reactors and scaling up related *** review presents recent studies on the typicalﬂow regimes established in bubble *** effort is also provided to introduce relevant deﬁnitions pertaining to thisﬁeld,namely,that of“void fraction”and related(local,chordal,cross-sectional and volumetric)*** studies involving different parameters that affect design and operating conditions are also discussed in *** the second part of the review,the attention is shifted to cases with internals of various types(perfo-rated plates,bafﬂes,vibrating helical springs,mixers,and heat exchanger tubes)immersed in the bubble *** is shown that the presence of these elements has a limited inﬂuence on the global column ***,they can make the homogeneousﬂow regime more stable in terms of transition gas velocity and transi-tion holdup *** last section is used to highlight gaps which have not beenﬁlled yet and future directions of investigation.

关键词： Hydrodynamics ﬂow regime bubble column heat-exchanging internals

Effect of solvent on the initiation mechanism of living anionic polymerization of styrene:A computational study

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Chinese Journal of chemical engineering 2024年第5期69卷 135-142页

作者： Shen Li Yin-Ning Zhou Zhong-Xin Liu Zheng-Hong Luo School of chemical engineering and technology Hainan UniversityHaikou 570228China department of chemical engineering School of Chemistry and Chemical EngineeringState Key Laboratory of Metal Matrix CompositesShanghai Jiao Tong UniversityShanghai 200240China

For living anionic polymerization(LAP),solvent has a great influence on both reaction mechanism and *** this work,by using the classical butyl lithium-styrene polymerization as a model system,the effect of solvent on the mechanism and kinetics of LAP was revealed through a strategy combining density functional theory(DFT)calculations and kinetic *** terms of mechanism,it is found that the stronger the solvent polarity,the more electrons transfer from initiator to solvent through detailed energy decomposition analysis of electrostatic interactions between initiator and solvent ***,we also found that the stronger the solvent polarity,the higher the monomer initiation energy barrier and the smaller the initiation rate ***,initiation is more favorable at lower temperatures based on the calculated results ofΔG_(TS).Finally,the kinetic characteristics in different solvents were further examined by kinetic *** is found that in benzene and n-pentane,the polymerization rate exhibits first-order ***,slow initiation and fast propagation were observed in tetrahydrofuran(THF)due to the slow free ion formation rate,leading to a deviation from first-order kinetics.

关键词： Living anionic polymerization Solvent effect Reaction kinetics Computational chemistry Mathematical modeling Kinetic modeling

Upper-rim-modified thioether thiacalix[4]arene used for liquid-liquid extraction of Au(Ⅲ)and Pd(Ⅱ)in hydrochloric acid medium

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Chinese Journal of chemical engineering 2024年第2期66卷 110-118页

作者： Sheng Wan Rong Xie Jianhong Fan Kewen Tang department of Chemistry and chemical engineering Hunan Institute of Science and TechnologyYueyang 414006China

Gold(Au)and palladium(Pd)play an increasing role in the production and human life;Therefore,it is of great significance to study their recovery.A 5,11,17,23-tetra-ethylthio-25,26,27,28-tetra-hydroxyl thiacalix[4]arene(TCAET)was synthesized specifically for the capture of Au(Ⅲ)and Pd(Ⅱ)from HCl medium by liquid-liquid *** a 0.1 mol·L^(-1)HCl medium,the transfer of Au(Ⅲ)and Pd(Ⅱ)from the aqueous phase to the organic phase was highly efficient,with a transfer ratio of 100%for Au(Ⅲ)and 98%for Pd(Ⅱ).Furthermore,the extraction equilibrium time for Au(Ⅲ)was just 5 ***'s method data demonstrated that TCAET formed complexes with Au(Ⅲ)and Pd(Ⅱ)in a ratio of 2:3 and 1:1,respectively,during the extraction *** showed high selectivity toward Pd(Ⅱ)and Au(Ⅲ)over other competing metal ***,both Au(Ⅲ)and Pd(Ⅱ)could be successfully stripped from the loaded organic phases with a 1.0 mol·L^(-1)thiourea in 0.5 mol·L^(-1)HCl and 0.5 mol·L^(-1)thiourea in 0.5 mol·L^(-1)HCl,*** obtained from five consecutive extraction-stripping cycles showed good reusability of TCAET toward Au(Ⅲ)and Pd(Ⅱ)*** conclusion can provide a certain reference for thiacalixarene in the recovery of precious metal species.

关键词： Thiacalixarene Upper-rim modification Liquid-liquid extraction Precious metal Thioether

Advanced oxidation via the synergy of C-defective/C-O band modified ultrathin porous g-C3N4 and PMS for efficient photothermal degradation of bisphenol pollutants and lignin derivatives

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Green Energy & Environment 2024年第7期9卷 1159-1170页

作者： Liquan Jing Meng Xie Yuanguo Xu Chun Tong Xia Du Heng Zhao Na Zhong Huaming Li Jinguang Hu School of Chemistry and chemical engineering Jiangsu University department of chemical and Petroleum engineering University of Calgary School of Pharmacy Jiangsu University School of Material Science & chemical engineering Harbin University of Science and Technology Institute for Energy Research Jiangsu University

This work uses thermal polymerization of urea nitrate, oxyacetic acid and urea as the raw material to prepare ultra-thin porous carbon nitride with carbon defects and C-O band（OA-UN-CN）. Density functional theory（DFT） calculations showed OA-UN-CN had narrower band gap,faster electron transport and a new internal construction electric field. Additionally, the prepared OA-UN-CN significantly enhanced photocatalytic activation of peroxymonosulfate（PMS） due to enhanced light absorption performance and faster electron overflow. As the result, the OA-UN-CN/PMS could entirely degrade bisphenol A（BPA） within 30 min, where the photodegradation rate was 81.8 and 7.9 times higher than that of g-C3N4and OA-UN-CN, respectively. Beyond, the OA-UN-CN/PMS could likewise degrade other bisphenol pollutants and sodium lignosulfonate efficiently. We suggested possible photocatalytic degradation pathways accordingly and explored the toxicity of its degradation products. This work provides a new idea on the development of advanced photocatalytic oxidation processes for the treatment of bisphenol pollutants and lignin derivatives, via a metal-free photothermal-catalyst.

关键词： Photothermal-catalytic G-C 3 N 4 Peroxymonosulfate Bisphenol Sodium lignosulfonate

Toward multicomponent mesoporous single-crystalline metal oxides

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National Science Review 2024年第5期11卷 92-93页

作者： Minkyeong Ban Jinwoo Lee department of chemical and Biomolecular engineering Korea Advanced Institute of Science and Technology (KAIST)

Mesoporous metal oxide materials have attracted significant interest due to their porous frameworks and large surface areas, finding applications in sensors, catalysis and energy storage [1]. The performance of these materials is influenced by both their porous structures and the crystal phase of the frameworks [2].

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Intelligent gold nanocluster for effective treatment of malignant tumor via tumor-specific photothermal–chemodynamic therapy with AIE guidance

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National Science Review 2024年第5期11卷 326-342页

作者： Feng Liu Tianfeng Yang Xiaowei Chang Li Chen Cheng Cheng Xiuhong Peng Haihu Liu Yanmin Zhang Xin Chen School of Energy and Power engineering Xi'an Jiaotong University department of chemical engineering Shaanxi Key Laboratory of Energy Chemical Process IntensificationInstitute of Polymer Science in Chemical Engineering School of Chemical Engineering and Technology Xi'an Jiaotong University School of Pharmacy Health Science Center Xi'an Jiaotong University

Precise and efficient therapy of malignant tumors is always a challenge. Herein, gold nanoclusters co-modified by aggregation-induced-emission（AIE） molecules, copper ion chelator（acylthiourea） and tumor-targeting agent（folic acid） were fabricated to perform AIE-guided and tumor-specific synergistic therapy with great spatio-temporal controllability for the targeted elimination and metastasis inhibition of malignant tumors. During therapy, the functional gold nanoclusters（Au NTF） would rapidly accumulate in the tumor tissue due to the enhanced permeability and retention effect as well as folic acid-mediated tumor targeting, which was followed by endocytosis by tumor cells. After that, the overexpressed copper ions in the tumor cells would trigger the aggregation of these intracellular Au NTF via a chelation process that not only generated the photothermal agent in situ to perform the tumor-specific photothermal therapy damaging the primary tumor, but also led to the copper deficiency of tumor cells to inhibit its ***, the copper ions were reduced to cuprous ions along with the chelation, which further catalysed the excess H2O2in the tumor cells to produce cytotoxic reactive oxygen species, resulting in additional chemodynamic therapy for enhanced antitumor efficiency. The aggregation of Au NTF also activated the AIE molecules to present fluorescence, which not only imaged the therapeutic area for real-time monitoring of this tumor-specific synergistic therapy, but also allowed us to perform near-infrared radiation at the correct time point and location to achieve optimal photothermal therapy. Both in vitro and in vivo results revealed the strong tumor elimination, effective metastasis inhibition and high survival rate of tumor-bearing mice after treatment using the Au NTF nanoclusters, indicating that this AIE-guided and tumor-specific synergistic strategy could offer a promising approach for tumor therapy.

关键词： AIE-guided precise tumor treatment copper-dependent photothermal therapy copper-triggered chemodynamic therapy primary tumor elimination copper-plunder-induced metastasis inhibition

Unraveling the Fundamental Mechanism of Interface Conductive Network Influence on the Fast‑Charging Performance of SiO‑Based Anode for Lithium‑Ion Batteries

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Nano-Micro Letters 2024年第3期16卷 53-68页

作者： Ruirui Zhang Zhexi Xiao Zhenkang Lin Xinghao Yan Ziying He Hairong Jiang Zhou Yang Xilai Jia Fei Wei Beijing Key Laboratory of Green chemical Reaction engineering and technology Department of Chemical EngineeringTsinghua UniversityBeijing 100084People’s Republic of China School of Materials Science and engineering University of Science and Technology BeijingBeijing 100083People’s Republic of China Beijing Key Laboratory of chemical Power Source and Green Catalysis School of Chemistry and Chemical EngineeringBeijing Institute of TechnologyBeijing 100081People’s Republic of China Institute of Polymer Science and engineering Department of Chemical EngineeringTsinghua UniversityBeijing 100084People’s Republic of China

Progress in the fast charging of high-capacity silicon monoxide(SiO)-based anode is currently hindered by insufficient conductivity and notable volume *** construction of an interface conductive network effectively addresses the aforementioned problems;however,the impact of its quality on lithium-ion transfer and structure durability is yet to be ***,the influence of an interface conductive network on ionic transport and mechanical stability under fast charging is explored for the first time.2D modeling simulation and Cryo-transmission electron microscopy precisely reveal the mitigation of interface polarization owing to a higher fraction of conductive inorganic species formation in bilayer solid electrolyte interphase is mainly responsible for a linear decrease in ionic diffusion energy ***,atomic force microscopy and Raman shift exhibit substantial stress dissipation generated by a complete conductive network,which is critical to the linear reduction of electrode residual *** study provides insights into the rational design of optimized interface SiO-based anodes with reinforced fast-charging performance.

关键词： Fast charging SiO anode Interface conductive network Ionic transport Mechanical stability

Defect-induced synthesis of nanoscale hierarchically porous metal-organic frameworks with tunable porosity for enhanced volatile organic compound adsorption

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Nano Materials Science 2024年第4期6卷 467-474页

作者： Kuan Liang Weibiao Guo Linmei Li Huidong Cai Haiqi Zhang Jingjing Li Feng Xu Jian Yan Daofei Lv Hongxia Xi Chongxiong Duan Guangdong Provincial Key Laboratory of Intelligent food Manufacturing Foshan University School of Materials Science and Hydrogen engineering Foshan University School of Chemistry and chemical engineering South China University of Technology School of Environmental and chemical engineering Foshan University

Nanoscale hierarchically porous metal-organic frameworks （NH-MOFs） synergistically combine the advantages of nanoscale MOFs and hierarchically porous MOFs,resulting in remarkable characteristics such as increased specific surface area,greater porosity,and enhanced exposure of active ***,nanoscale hierarchically porous UIO-66 （UIO-66＿X） was synthesized using a defect-induced strategy that employed ethylene diamine tetraacetic acid （EDTA） as a *** introduced EDTA occupies the coordination sites of organic ligands,promoting the formation and growth of UIO-66 crystal nuclei and inducing defects during *** as-synthesized UIO-66＿X crystals exhibit a uniform distribution with an average size of approximately 100 *** addition,the total pore volume attains a remarkable value of 0.95 cm3g-1,with mesopores constituting 36.8%of the ***,the porosities of UIO-66＿X can be easily tuned by controlling the molar ratio of EDTA/Zr4+.In addition,the as-synthesized UIO-66＿X exhibits excellent adsorption capacities for n-hexane (344 mg g-1) and pxylene (218 mg g-1),which are 44.5%and 27.5%higher than those of conventional UIO-66,***,the adsorption behavior of n-hexane and p-xylene molecules in UIO-66＿X was investigated using density functional theory simulations.

关键词： Nanoscale hierarchically porous MOFs Tunable porosities Enhanced VOC adsorption