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Experimental and mechanistic investigation on the plastic anisotropic deformation behavior of α-phase titanium alloy Ti-2Al-2.5Zr

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材料科学技术（英文版） 2025年第9期212卷 17-34页

作者： Haiyu Li Jingtai Yu Wenyu Jia Qiang Lin Jun Wu Gang Chen School of Chemical Engineering and Technology Tianjin UniversityTianjin 300350China School of Chemical Engineering and Technology Tianjin UniversityTianjin 300350China Tianjin Key Laboratory of Chemical Process Safety and Equipment Technology Tianjin 300350China Nuclear Power Institute of China ChengduSichuan 610015China School of Chemical Engineering and Technology Tianjin UniversityTianjin 300350China Tianjin Key Laboratory of Chemical Process Safety and Equipment Technology Tianjin 300350China State Key Laboratory of Chemical Engineering(Tianjin University) Tianjin 300350China

Ti-2Al-2.5Zr is widely used in piping and structural support applications,however,the rolling forming process results in anisotropic deformation during *** behavior has implications for the manu-facturing processes and structural safety assessments in engineering *** this study,the plas-tic anisotropic deformation behavior of a rolled Ti-2Al-2.5Zr plate was investigated using uniaxial tensile tests along the transverse,normal,and 45° *** emission,electron backscatter diffraction,and scanning electron microscopy methods were used to investigate dislocation slip and twinning *** results indicated that different microscopic deformation mechanisms caused the significant macroscopic anisotropy of *** primary mechanisms involved were prismaticslip,pyra-midalslip,and {10-12} extension *** stress direction determined the influence of each of these mechanisms during the yielding and plastic deformation *** of the visco-plastic self-consistent model established the relationship between the macroscopic mechanical responses and microscopic deformation *** was revealed that Ti-2Al-2.5Zr achieved its optimum strength when the initial texture aligned most of the grain c-axis at angles ranging from 30° to 50° relative to the deformation *** finding provides a direction for the texture design of Ti-2Al-2.5Zr in engineer-ing materials.

关键词： Anisotropy Extension twinning Plastic deformation Ti-2Al-2.5Zr titanium alloy VPSC model

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Combined effects of sea urchin-like structure and mixed Cu^(+)/Cu^(0)states on promoting C_(2)formation in electrocatalytic CO_(2)reduction

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Frontiers of chemical Science and engineering 2024年第3期18卷 63-73页

作者： Mengqing Shan Dongsheng Lu Jiatong Dong Shen Yan Jinyu Han Hua Wang Collaborative Innovation Center of Chemical Science and Engineering Key Laboratory for Green Chemical Technology of the Ministry of EducationSchool of Chemical Engineering and TechnologyTianjin UniversityTianjin300354China

Surface engineering and Cu valence regulation are essential factors in improving the C_(2)selectivity during the electrochemical reduction of CO_(2).Herein,we present a sea urchin-like CuO/Cu_(2)O catalyst derived from rhombic dodecahedra Cu_(2)O through one-step oxidation/etching method where the mixed Cu^(+)/Cu^(0)states are formed via in situ reduction during *** combined effects of the morphology and the mixed Cu^(+)/Cu^(0)states on C–C coupling are evaluated by the Faradaic efficiency of C_(2)and the C_(2)/C1 ratio obtained in an H-cell.R-Cu^(O)/Cu_(2)O exhibited 49.5%Faradaic efficiency of C_(2)with a C_(2)/C1 ratio of 3.1 at−1.4 V *** hydrogen electrode,which are 1.5 and 3.2 times higher than those of R-Cu_(2)O,*** a flow-cell,68.0%Faradaic efficiency of C_(2)is achieved at a current density of 500 mA·cm^(−2).The formation of the mixed Cu^(+)/Cu^(0)states was confirmed by in situ Raman ***,the sea urchin-like structure provides more active sites and enables faster electron *** a result,the excellent C_(2)production on R-CuO/Cu_(2)O is primarily attributed to the synergistic effects of the sea urchin-like structure and the stable mixed Cu^(+)/Cu^(0)***,this work presents an integrated strategy for developing Cu-based electrocatalysts for C_(2)production through electrochemical CO_(2)reduction.

关键词： CO_(2)electrolysis sea urchin-like structure Cu^(+)/Cu^(0) C_(2)products

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The flow behavior of droplet adsorption on a liquid-liquid interface accompanied by cross-linking reaction and phase separation in a microchannel

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Chinese Journal of chemical engineering 2024年第2期66卷 60-70页

作者： Haozhe Yi Taotao Fu Chunying Zhu Youguang Ma State Key Laboratory of Chemical Engineering School of Chemical Engineering and TechnologyTianjin UniversityTianjin 300072China

The adsorption process of droplets on the liquid-liquid interface and phase separation process can regulate the spatial distribution of the fluid system,which are crucial for chemical ***,the cross-linking reaction,which is widely used in the field of polymers,can change the physical properties of the fluids and affect the flow behavior accordingly.A configuration of microchannels is designed to conveniently generate uniform droplets in one phase of the parallel *** flow behavior of the adsorption process of sodium alginate droplets on the liquid-liquid interface is investigated,and the subsequent process of phase separation is *** the process of droplet adsorption,the crosslinking reaction occurs synchronously,which makes the droplet viscosity and the elasticity modules of the droplet surface increase,thus affecting the dynamics of the adsorption process and the equilibrium shape of the *** variation of the adsorption length with time is divided into three stages,which all conform to power law *** exponents of the second and third stages deviate from the results of the Tanner's *** flow pattern maps of droplet adsorption and phase separation are drawn,and the operating ranges of complete adsorption and complete separation are *** study provides a theoretical basis for further studying the flow behavior of droplets with cross-linking reaction in a microchannel.

关键词： Microfluidics Droplet Dynamics Crosslink Adsorption Separation

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A robust & weak-nucleophilicity electrocatalyst with an inert response for chlorine ion oxidation in large-current seawater electrolysis

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Journal of Energy Chemistry 2024年第3期90卷 486-495,I0011页

作者： Junting Dong Chang Yu Hui Wang Lin Chen Hongling Huang Yingnan Han Qianbing Wei Jieshan Qiu State Key Laboratory of Fine Chemicals Frontier Science Center for Smart MaterialsSchool of Chemical EngineeringDalian University of TechnologyDalian 116024LiaoningChina College of Chemical Engineering State Key Laboratory of Chemical Resource EngineeringBeijing University of Chemical TechnologyBeijing 100029China

Seawater splitting into hydrogen,a promising technology,is seriously limited by the durability and tolerance of electrocatalysts for chlorine ions in seawater at large current densities due to chloride oxidation and ***,we present a robust and weak-nucleophilicity nickel-iron hydroxide electrocatalyst with excellent selectivity for oxygen evolution and an inert response for chlorine ion oxidation which are key and highly desired for efficient seawater *** a weak-nucleophilicity electrocatalyst can well match with strong-nucleophilicity OH-compared with the weak-nucleophilicity Cl^(-),resultantly,the oxidation of OH-in electrolyte can be more easily achieved relative to chlorine ion oxidation,confirmed by ethylenediaminetetraacetic acid disodium probing ***,no strongly corrosive hypochlorite is produced when the operating voltage reaches about 2.1 V ***,a potential that is far beyond the thermodynamic potential of chlorine ion oxidatio *** concept and approach to reasonably designing weaknucleophilicity electrocatalysts that can greatly avoid chlorine ion oxidation under alkaline seawater environments can push forward the seawater electrolysis technology and also accelerate the development of green hydrogen technique.

关键词： Nickel-iron hydroxide electrocatalysts Highly selective seawater electrolysis Weak nucleophilicity Oxygen evolution reaction Hydrogen

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Graphdiyne(C_(n)H_(2n-2))as an"electron transfer bridge"boosting photocatalytic hydrogen evolution over Zn_(0.5)Co_(0.5)S/MoS_(2)S-scheme heterojunction

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Rare Metals 2024年第5期43卷 1999-2014页

作者： Mei Li Jing-Zhi Wang Zhi-Liang Jin School of Chemistry and Chemical Engineering North Minzu UniversityYinchuan 750021China School of Chemistry and Chemical Engineering Ningxia Key Laboratory of Solar Chemical Conversion TechnologyKey Laboratory for Chemical Engineering and TechnologyState Ethnic Affairs CommissionNorth Minzu UniversityYinchuan 750021China

In the process of photocatalytic water cracking,the migration rate and utilization rate of photogenerated charges determine the hydrogen evolution performance of the *** this paper,a carbon isotope superconducting material graphdiyne(GDY)is prepared by mechanical ball milling and introduced into the S-scheme heterojunction Zn_(0.5)Co_(0.5)S/MoS_(2)inorganic *** terms of hydrogen evolution kinetics,GDY acts as an electron bridge,not only accelerating the migration of photogenerated carriers but also improving the utilization of photogenerated ***,the large twodimensional layer provides more loading and anchoring points for Zn_(0.5)Co_(0.5)S/MoS_(2),which increases the number of active *** ternary composite catalyst 20%GDY/Zn_(0.5)Co_(0.5)S/MoS_(2)(20-GCSM)generates 69.94μmol of hydrogen(5 h)in triethanolamine *** is 2.97 and1.80 times higher than Zn_(0.5)Co_(0.5)S and Zn_(0.5)Co_(0.5)S/MoS_(2),*** the cyclic experiment,it still has stable hydrogen evolution performance after standing for24 h(under dark conditions).In addition,the potential mechanism of photocatalytic hydrogen evolution is demonstrated through in-situ X-ray photoelectron *** work provides a reference for further research in the field of introducing carbon materials into photocatalytic systems and improving the utilization of photogenerated charges.

关键词： Graphdiyne S-scheme heterojunction Electron transfer bridge Hydrogen production

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Relationship between hydrogenation degree and pyrolysis performance of jet fuel

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Chinese Journal of chemical engineering 2024年第4期68卷 35-42页

作者： Qing Liu Tinghao Jia Lun Pan Jijun Zou Xiangwen Zhang Key Laboratory for Green Chemical and Technology School of Chemical Engineering and TechnologyTianjin UniversityTianjin 300072China Haihe Laboratory of Sustainable Chemical Transformations Tianjin 300192China Zhejiang Institute of Tianjin University Ningbo 315201China Zhejiang Provincial Key Laboratory of Advanced Chemical Engineering Manufacture Technology College of Chemical and Biological EngineeringZhejiang UniversityHangzhou 310027China

Understanding the relationship between the chemical composition and pyrolysis performance of endothermic hydrocarbon fuel(EHF) is of great significance for the design and optimization of advanced EHFs. In this work, the effect of deep hydrogenation on the pyrolysis of commercial RP-3 is *** with different hydrogenation degrees were obtained by the partially and completely catalytic hydrogenation and their pyrolysis performances were investigated using an apparatus equipped with an electrically heated tubular reactor. The results show that with the increase of hydrogenation degree, fuel conversion almost remains constant during the pyrolysis process(500-650°C, 4 MPa);however, the heat sink increases slightly, and the anti-coking performance significantly improves, which are highly related to their H/C ratios. Detailed characterisations reveal that the difference of the pyrolysis performance can be ascribed to the content of aromatics and cycloalkanes: the former are prone to initiate secondary reactions to form coking precursors, while the latter could act as the hydrogen donor and release hydrogen, which will terminate the radical propagation reactions and suppress the coke deposition. This work should provide the guidance for upgrading EHFs by modulating the composition of EHFs.

关键词： RP-3 Fuel Pyrolysis Hydrogenation Deposition

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Energy, exergy, economic, and environmental compromising performance of dual-stage evaporation-ammonia hybrid compression-absorption refrigeration system for the cooling supply of keto-benzene dewaxing process

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Chinese Journal of chemical engineering 2024年第11期75卷 274-289页

作者： Shuaishuai Zhang Yuanbo Liu Tong Zheng Da Ruan Zhong Lan Tingting Hao Xuehu Ma State Key Laboratory of Fine Chemicals Liaoning Key Laboratory Clean Utilization of Chemical ResourcesInstitute of Chemical EngineeringDalian University of TechnologyDalian 116024China

Absorption refrigeration systems driven by low-temperature waste heat is one way to achieve“carbon neutrality.”Meanwhile,the keto-benzene dewaxing equipment needs a cooling capacity of 5 MW,with refrigeration temperature of-10℃and-25℃.This paper researches the feasibility of dual-stage evaporation-ammonia hybrid compressioneabsorption refrigeration system(DSE-AHCARS)replacing the vapor compression refrigeration system for keto-benzene dewaxing process based on energy,exergy,economic,and environmental(4E)*** the primary-and secondary-stage evaporation temperature of 0 and-23℃,respectively,the coefficient of performance(COP)reaches the maximum value of 0.85;however,COP-electricity reaches the minimum value of *** the secondary-stage refrigeration temperature is-23℃,CO_(2)emission increases from 1150 t·a^(-1)to 3600 t·a^(-1),and life cycle climate performance increases from 3.29×10^(4) to 7.7×10^(4) t,with the primary-stage refrigeration temperature being-15-0℃,as well as matching three parameters to ensure the 4E compromising performance by the multi-objective *** guarantee that the life cycle climate performance is less than 5.5×10^(4)t,the payback period is<2 a,and COP is>0.6 at the optimal operation ranges,such that the refrigeration temperature difference between primary stage and secondary stage is within 20℃.The power of DSE-AHCARS was reduced by 77%compared with the vapor-compression refrigeration ***,the DSE-AHCARS can reduce CO_(2)emissions by about 6250 t·a^(-1)and save 1.2×10^(5)t of CO_(2)in the life cycle climate performance *** result shows that the DSE-AHCARS can completely replace the vapor-compression refrigeration system.

关键词： Evaporation Optimal design Thermodynamic process Multi-objective optimization Ammonia hybrid refrigeration

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Impregnating photo-stable gold precursor onto uncalcined TS-1 to boost catalytic hydro-oxidation of propane

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Science China Chemistry 2025年第4期68卷 1585-1596页

作者： Zhihua Zhang Erchuan Yang Fan Liu Kesheng Xu Yuxia Zhong Jinwei Sun Shudong Shi Xuezhi Duan Xinggui Zhou State Key Laboratory of Chemical Engineering East China University of Science and TechnologyShanghai 200237China

Immobilizing highly dispersed Au nanoparticles onto titanium silicalite-1(TS-1)by a simple impregnation method under light is still a challenging *** this work;a high photostable Au precursor protected by thiol ligands was firstly synthesized;and the as-prepared Au precursor displayed excellent stability under light for over 30 days;while the Au precursor without thiol ligands formed precipitates after just 2 h under ***;the Au precursor protected by thiol ligands was immobilized on the external surface of uncalcined TS-1(i.e.;TS-1-B)by the incipient wetness impregnation method(IWI method)to prepare Au/TS-1-B *** activity of as-prepared Au/TS-1-B catalyst in the hydro-oxidation of propane to acetone was 1.4 times higher than that of the catalyst prepared by the deposition-precipitation urea method(DPU method).The structures of the Au/TS-1-B catalysts prepared by different methods were analyzed by multiple *** to the Au/TS-1-B catalyst prepared by the DPU method;the Au/TS-1-B catalyst synthesized by the IWI method exhibited a narrower size distribution of Au nanoparticles and had more small Au particles(<2 nm);which is the main reason for its superior ***;the effects of gold loadings;reaction temperature and Si/Ti molar ratio on the catalytic performance of the Au/TS-1-B catalyst prepared by the IWI method were also *** addition;the Au/TS-1-B catalyst prepared by the IWI method also exhibited excellent stability for over 140 h.

关键词： hydro-oxidation of propane acetone Au-Ti bifunctional catalysts IWI method thiol ligands stability

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Multi-criteria computational screening of[BMIM][DCA]@MOF composites for CO_(2)capture

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Green chemical engineering 2025年第2期6卷 200-208页

作者： Mengjia Sheng Xiang Zhang Hongye Cheng Zhen Song Zhiwen Qi State Key Laboratory of Chemical Engineering School of Chemical EngineeringEast China University of Science and TechnologyShanghai200237China

Ionic liquid(IL)can be inserted into metal organic framework(MOF)to form IL@MOF composite with enhanced *** this work,hypothetical IL@MOFs were computationally constructed and screened by integrating molecular simulation and convolutional neural network(CNN)for CO_(2)***,the IL[BMIM][DCA]with a large CO_(2)solubility was inserted into 1631 pre-selected Computational-Ready Experimental(CoRE)MOFs to create hypothetical IL@***,given the temperature and pressure of adsorption and desorption,the CO_(2)/N_(2)selectivity and CO_(2)working capacity of 700 representative IL@MOFs were assessed via molecular *** on the results,two CNN models were trained and used to predict the performance of other IL@MOFs,which reduces the computational costs *** combining the simulation results and CNN model predictions,22 IL@MOFs with top-ranked performance were *** distinct ones IL@HABDAS,IL@GUBKUL,and IL@MARJAQ were chosen for explicit *** was found that a desired balance between CO_(2)/N_(2)selectivity and CO_(2)working capacity can be obtained by inserting the optimal number of IL *** helps guide a novel design of IL@MOF composites with advanced performance on carbon capture.

关键词： IL@MOF composite screening Ionic liquid Molecular simulation Convolutional neural network CO_(2)capture

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Exploring the chemical space of ionic liquids for CO_(2)dissolution through generative machine learning models

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Green chemical engineering 2025年第3期6卷 335-343页

作者： Xiuxian Chen Guzhong Chen Kunchi Xie Jie Cheng Jiahui Chen Zhen Song Zhiwen Qi State Key Laboratory of Chemical Engineering School of Chemical EngineeringEast China University of Science and TechnologyShanghai200237China

For discovering uncharted chemical space of ionic liquids(ILs)for CO_(2)dissolution,a reliable generative framework combining re-balanced variational autoencoder(VAE),artificial neural network(ANN),and particle swarm optimization(PSO)is developed based on a comprehensive experimental solubility database from *** re-balanced VAE transforms the chemical space of ILs into continuous latent space,which is demonstrated by tdistributed stochastic neighbor embedding(t-SNE)visualization and sampled ions of the latent *** is connected with the re-balanced VAE to predict the CO_(2)solubility and the resultant VAE-ANN model achieves a low mean absolute error(MAE)of 0.022 on the test ***,the PSO algorithm is employed to search the latent space for optimal IL structures with the highest predicted solubility.A total of 5120 ILs are generated and optimized through 10 parallel runs of *** CO_(2)solubilities are predicted and compared to those of the 3735 ILs combined with the already-known cations and anions in the CO_(2)solubility database under 298.15 K and 100 *** results demonstrate a notably larger distribution of higher CO_(2)solubility in optimized ILs after PSO,which effectively points out the significance and directions for exploring the wide IL chemical space.

关键词： Ionic liquids CO_(2)solubility Variational autoencoder Particle swarm optimization chemical space exploration

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