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Synergistic solvent extraction system of bis(pyridin-2-ylmethyl)dodecan-1-amine and dinonylnaphthalene for enhanced selective extraction of nickel and cobalt

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Chinese Journal of chemical engineering 2025年第1期77卷 10-18页

作者： Bharat Prasad Sharma Tianzhang Wang Yufeng Liang Jinping Xiong Liangrong Yang Zheng Li Beijing Key Laboratory of Electrochemical Process and Technology of Materials Beijing University of Chemical TechnologyBeijing 100029China State Key Laboratory of Biochemical Engineering Institute of Process EngineeringChinese Academy of SciencesBeijing 100190China School of Chemistry and Chemical Engineering Shandong UniversityJinan 250100China School of Chemical Engineering University of Chinese Academy of SciencesBeijing 101408China CAS Key Laboratory of Green Process and Engineering Institute of Process EngineeringChinese Academy of SciencesBeijing 100190China Key Laboratory of Green and High-end Utilization of Salt Lake Resources Institute of Process EngineeringChinese Academy of SciencesBeijing 100190China

Simultaneous recovery of Ni and Co from Fe(Ⅲ)and AI is a critical challenge in hydrometallurgical *** solvent extraction systems often struggle with selectivity and effective performance in mixed metal ion ***,a new synergistic solvent extraction(SSX)system comprised of a novel pyridine analog,N,N-bis(pyridin-2-ylmethyl)dodecan-1-amine(BPMDA),and dinonylnaphthalene sulfonic acid(DNNSA)with tributyl phosphate as phase modifier is *** SSX system demonstrates high extraction performance achieving>90%for Ni and>97%for Co in a singlestage extraction process,with high *** optimal conditions,the selectivity sequence is observed as Co^(2+)(>97%)>Ni^(2+)(>90%)>Mn^(2+)(<20%)>Fe^(3+)(<10%)>Mg^(2+)(<5%)>Al^(3+)(<2%)>Ca^(2+)(<1%).Spectroscopic analysis evidences the preferential binding of BPMDA with Ni and Co in the presence of DNNSA,concurrently achieving a significant reduction in the co-extraction of Fe(Ⅲ)and *** selective complexation of Ni and Co using the SSX system offers a highly efficient and selective approach for their extraction,with promising potential for applications in recovery-based processes.

关键词： Nickel and cobalt extraction Synergistic solvent extraction DNNSA Pyridine Hydrometallurgy

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RSscore:Reaction superiority learned from reaction mapping hypergraph

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Chinese Journal of chemical engineering 2024年第10期74卷 203-215页

作者： Chenyang Xu Lijuan Guo Kang Zhou Hai Yu Chaoliang Wei Fengqi Fan Lei Zhang State Key Laboratory of Fine Chemicals Frontiers Science Center for Smart Materials Oriented Chemical EngineeringInstitute of Chemical Process Systems EngineeringSchool of Chemical EngineeringDalian University of TechnologyDalian 116024China PetroChina Lanzhou Lubricating Oil Research&Development Institute Lanzhou 730060China

The selection of chemical reactions is directly related to the quality of synthesis pathways,so a reasonable reaction evaluation metric plays a crucial role in the design and planning of synthesis *** reaction conditions also need to be considered in synthesis pathway design,a reaction metric that combines reaction time,temperature,and yield is required for chemical reactions of different reaction *** this study,a chemical reaction graph descriptor which includes the atom-atom mapping relationship is proposed to effectively describe ***,through pre-training using graph contrastive learning and fine-tuning through supervised learning,we establish a model for generating the probability of reaction superiority(RSscore).Finally,to validate the effectiveness of the current evaluation index,RSscore is applied in two applications,namely reaction evaluation and synthesis routes analysis,which proves that the RSscore provides an important agents-considered evaluation criterion for computer-aided synthesis planning(CASP).

关键词： Computer-aided synthesis planning Neural networks Reaction evaluation indicator Reaction graph Graph contractive learning

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Synthesis of submicron carbon spheres by rapid hydrothermal carbonization of glucose in a microchannel reactor

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Journal of Industrial and engineering Chemistry 2025年 149卷 486-496页

作者： Xu, Ruilong Zhu, Yongquan Zhang, Lixiong Yu, Liang State Key Laboratory of Materials-Oriented Chemical Engineering College of Chemical Engineering Nanjing Tech University Nanjing211800 China Chemical Technology Luleå University of Technology LuleåSE-971 87 Sweden

Uniform submicron carbon spheres of 100–1000 nm sizes are needed in many, such as battery and medical fields. In this paper, a rapid hydrothermal carbonization method was developed for the preparation of uniform carbon microspheres with adjustable particle sizes in the range of 76–930 nm at 190–270 ℃ and 7 MPa in a microchannel reactor. Glucose was used as a carbon source and the synthesis time was as short as 0.5 min. The window conditions of the carbon microsphere synthesis relevant to the glucose concentration, the reaction temperature, and the residence time were investigated. The synthesized carbon spheres were also deeply studied using XRD, SEM, FTIR, Raman, TEM, and XPS. The submicron carbon spheres synthesized at 250–270 ℃ and 0.5–1 min residence times by using 15–25 wt% glucose concentrations as feed had narrow particle size distribution. Carbon spheres with similar particle sizes could be synthesized at multiple combinations of reaction temperatures, residence times, and glucose concentrations, and the sphericity and uniformity of carbon spheres can be easily adjusted. The preparation method takes a significantly shorter time and is much more efficient than the conventional hydrothermal carbonization method. © 2025 The Author(s)

关键词： Carbonation

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Mechanism of ethanol/water reverse separation through a functional graphene membrane:a molecular simulation investigation

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Frontiers of chemical Science and engineering 2023年第3期17卷 347-357页

作者： Quan Liu Xian Wang Yanan Guo Gongping Liu Kai-Ge Zhou School of Chemical Engineering Analytical and Testing CenterAnhui University of Science and TechnologyHuainan 232001China State Key Laboratory of Materials-Oriented Chemical Engineering College of Chemical EngineeringNanjing Tech UniversityNanjing 211816China Haihe Laboratory of Sustainable Chemical Transformations Tianjin 300192China

Reverse-selective membranes have attracted considerable interest for bioethanol ***,to date,the reverse-separation performance of ethanol/water is poor and the separation mechanism is ***-based membranes with tunable apertures and functional groups have shown substantial potential for use in molecular *** molecular dynamics simulations,for the first time,we reveal twoway selectivity in ethanol/water separation through functional graphene *** graphene(PG)exhibits reverse-selective behavior with higher ethanol fluxes than water,resulting from the preferential adsorption for *** flow mappings show that this ethanol-permselective process is initiated by the presence of ethanol-enriched and water-barren pores;this has not been reported in previous *** contrast,water molecules are preferred for hydroxylated graphene membranes because of the synergistic effects of molecular sieving and functional-group attraction.A simulation of the operando condition shows that the PG membrane with an aperture size of 3.8Åachieves good separation performance,with an ethanol/water separation factor of 34 and a flux value of 69.3 kg∙m‒2∙h‒1∙bar‒*** study provides new insights into the reverse-selective mechanism of porous graphene membranes and a new avenue for efficient biofuel production.

关键词： reverse separation graphene membrane ethanol/water separation molecular simulation

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Stress corrosion cracking b ehavior of 316 L manufacture d by different additive manufacturing techniques in hydrofluoric acid vapor

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Journal of Materials Science & technology 2024年第24期191卷 33-48页

作者： Hailong Dai Shuyao Zhang Yajing Li Jingtai Yu Yue Kuang Fuzhen Xuan Xu Chen School of Chemical Engineering and Technology Tianjin UniversityTianjin 300072China Tianjin Key Laboratory of Chemical Process Safety and Equipment Technology Tianjin 300350China School of Mechanical and Power Engineering East China University of Science and TechnologyShanghai 200237China

Selective laser melting(SLM)and directed energy deposition(DED),as two important additive manufacturing(AM)methods,have garnered widespread industrial applications attributing to their advantages in fabricating complex *** the complex nature of microstructures produced by different AM technologies,it is necessary to carry out a thorough investigation of the stress corrosion cracking(SCC)behavior affected by these microstructures in harsh environments(*** acid(HF)).In this study,the SCC susceptibility of DED and SLM-fabricated 316 L in HF vapor was first systematically studied by comparing it with commercial wrought(WR)316 L to reveal the effect of microstructures(columnar crystals,melt pools,δ-ferrites,and dislocation cells)on the SCC *** show that DED-316 L has excellent SCC resistance and such resistance exhibits a low correlation with loading *** is because the reticulated distributed skeletal δ-ferrite facilitates enhancing film protection and hindering dislocation slip *** contrast,SLM-316 L exhibits high SCC sensitivity together with a strong loading direction *** SLM-316L-V with melt pool boundaries oriented perpendicular to the stress exhibits a high SCC ***,the dislocation cells without elemental segregation in SLM-316 L activate the corrosion reactivity and favor dislocation proliferation and transport,making SCC deterioration of SLM-316L-V in HF *** a proper loading relationship can shield the adverse effect of dislocation cells on the stress corrosion of SLM-316 L(***-316L-H).Our effort s provide import ant theoretical guidance for the rational selection of fabrication technologies and microstructural design of materials in harsh environments.

关键词： 316 L Selective laser melting Directed energy deposition Stress corrosion cracking Dislocation cell

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Study of fluid cell coarsening for CFD-DEM simulations of polydisperse gas–solid flows

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Particuology 2023年第2期73卷 128-138页

作者： He Lei Litao Zhu Zhenghong Luo Department of Chemical Engineering School of Chemistry and Chemical EngineeringState Key Laboratory of Metal Matrix CompositesShanghai Jiao Tong UniversityShanghai200240China

Particle polydispersity is ubiquitous in industrial fluidized beds,which possesses a significant impact on hydrodynamics of gas-solid *** fluid dynamics-discrete element method(CFD-DEM)is promising to adequately simulate gas-solid flows with continuous particle size distribution(PSD)while it still suffers from high computational *** coarsening models are thereby *** work extends the coarse-grid model to polydisperse ***-resolved simulations with different PSDs are processed through a filtering procedure to modify the gas-particle drag force in coarse-grid *** reveal that the drag correction of individual particle exhibits a dependence on filtered solid volume fraction and filtered slip velocity for both monodisperse and polydisperse ***,the effect of particle size and surrounding PSD is quantified by the ratio of particle size to Sauter mean *** correction models for systems with monodisperse and continuous PSD are developed.A priori analysis demonstrates that the developed models exhibit reliable prediction accuracy.

关键词： Fluidized bed CFD-DEM Gas–solid flows Fluid cell coarsening Polydisperse drag force

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Enabling tandem oxidation of benzene to benzenediol over integrated neighboring V-Cu oxides in mesoporous silica

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Chinese Journal of chemical engineering 2023年第3期55卷 236-245页

作者： Mengting Liu Xuexue Dong Zengjing Guo Aihua Yuan Shuying Gao Fu Yang School of Environmental and Chemical Engineering Jiangsu University of Science and TechnologyZhenjiang 212003China School of Chemistry and Chemical Engineering Liaocheng UniversityLiaocheng 252000China State Key Laboratory of Materials-Oriented Chemical Engineering Nanjing Tech UniversityNanjing 210009China

The direct tandem oxidation synthesis of benzenediol from benzene could simplify or even avoid the separation and purification of reaction intermediates, which is promising but challenged because of the further required immediate consecutive activation of intermediate phenol. In this work, a synergistic benzene tandem-oxidation catalyst that V-Cu bimetallic oxides modified nanoporous silica(VCu-NS)was constructed via a facile assembly strategy which involves addictive negative anion citric acid mediating the intercalation of metal-citric acid chelate in mesopore of silica and subsequent thermal calcination inducing dual-metal active site formation. Such a tactic could make amorphous VOxspecies well covered on the surface of mesopore, and ultrafine copper oxide particles surrounded and neighbored by highly dispersed VOxwith strong interplay in mesopore, which was comprehensively confirmed by various characterizations. Benefiting from the unique V-Cu neighboring effect, the desorption of formed phenol over the catalytic site might be restricted therefore easily further activated by the formed reactive oxidative species, 3VCu-NS shows synergetic tandem-oxidation catalytic activities for benzene towards benzenediol with a selectivity of 57%. The result allows optimal 3VCu-NS to be a promising catalyst for benzenediol synthesis from benzene.

关键词： Catalysis Molecular sieve Benzene Synergetic effect Tandem oxidation

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Si-induced insertion of Li into SiC to form Li-rich SiC twin crystal

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Particuology 2023年第3期74卷 56-63页

作者： Di Zhang Chenxi Zhang Feng Lu Hairong Jiang Fei Wei Beijing Key Laboratory of Green Chemical Reaction Engineering and Technology Department of Chemical EngineeringTsinghua UniversityBeijing100084China

The energy density of Li-ion batteries is closely related to the capacity and average voltage of cathode ***,current cathode materials either have low capacity or voltage,which limits the development of high-energy-density Li-ion *** has given challenge to many attempts to develop new cathode materials with high capacity and *** this study,we find that Li easily inserts into the(111)plane of SiC in the presence of Si,and a well-organized Li-rich SiC twin crystal is ***-visible diffuse reflectance spectra and electrochemical test results suggest that this Li-rich SiC twin crystal possesses the band gap energy of 3.5 eV and charging capacity of 1979 mAh/g at the current density of 200 mA/g,making it a promising candidate for the cathode material in high-capacity Li-ion batteries.X-ray photoelectron spectroscopy and high-resolution transmission electron microscopy results reveal that Si-induced Li insertion contributes to the changes in the surface species and structure of pristine *** findings suggest that the Li-rich SiC twin crystal raises new possibilities for the development of high-capacity cathode materials and merits further investigation to expand its application scope.

关键词： Si Li insertion SiC Li-rich twin crystal CathodeLi-ion batteries

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Multi-scale simulation of diffusion behavior of deterrent in propellant

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Chinese Journal of chemical engineering 2023年第2期54卷 29-35页

作者： Pan Huang Zekai Zhang Yuxin Chen Changwei Liu Yong Zhang Cheng Lian Yajun Ding Honglai Liu State Key Laboratory of Chemical Engineering Shanghai Engineering Research Center of Hierarchical NanomaterialsSchool of Chemical EngineeringEast China University of Science and TechnologyShanghai 200237China School of Chemistry and Molecular Engineering East China University of Science and TechnologyShanghai 200237China School of Chemistry and Chemical Engineering Nanjing University of Science and TechnologyNanjing 210094China

Concentration distribution of the deterrent in single-base propellant during the process of firing plays an important role in the ballistic properties of gun propellant in weapons. However, the diffusion coefficient calculated by molecular dynamics(MD) simulation is 6 orders of magnitude larger than the experimental values. Meanwhile, few simple and comprehensive theoretical models can explain the phenomenon and accurately predict the concentration distribution of the propellant. Herein, an onion model combining with MD simulation and finite element method of diffusion in propellants is introduced to bridge the gap between the experiments and simulations, and correctly predict the concentration distribution of deterrent. Furthermore, a new time scale is found to characterize the diffusion process. Finally, the time-and position-depended concentration distributions of dibutyl phthalate in nitrocellulose are measured by Raman spectroscopy to verify the correctness of the onion model. This work not only provides guidance for the design of the deterrent, but could be also extended to the diffusion of small molecules in polymer with different crystallinity.

关键词： Multi-scale simulation Diffusion Deterrent Propellant Onion model Molecular dynamics simulation

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Synthesis and Enhanced Acetone-sensing Properties of Ordered Large-pore Mesoporous Nickel Oxides with Ultrathin Crystalline Frameworks

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chemical Research in Chinese Universities 2024年第3期40卷 521-528页

作者： SHAO Chen GUO Ru LI Hui WANG Xiaozhong YANG Qingfeng LAI Xiaoyong State Key Laboratory of High-efficiency Utilization of Coal and Green Chemical Engineering School of Chemistry and Chemical EngineeringNingxia UniversityYinchuan 750021P.R.China

Acetone is a tracer for monitoring air quality and a potential breath maker for diabetes. It remains a great challenge for current portable sensors to sensitively and selectively detect acetone at low-ppb (part per billion) level. Herein, we present an ordered mesoporous nickel oxide (NiO) with both large mesopores and ultrathin crystalline frameworks for the detection of low-ppb acetone. The ordered mesoporous NiO replicas with predominant large mesopores of 11 nm, high specific surface areas of 121–128 m2/g and ultrathin crystalline frameworks of 5 nm were synthesized by the nanocasting method and the crystalline properties of NiO frameworks were adjusted by changing the annealing temperature from 300℃ to 750℃, which resulted in different contents of oxygen deficient on the surface of ultrathin frameworks. The gas-sensing properties for all the NiO samples were investigated and the ordered large-pore mesoporous NiO (NiO-600) with maximum oxygen deficient obtained at 600℃ exhibited the highest response (R_(gas)/R_(air)−1=2.9) toward acetone (1 ppm, ppm: part per million), which is 3.4 and 30 times larger than those for common mesoporous NiO obtained at 300℃ and bulk NiO. Notably, a low detection limit (2 ppb), good selectivity and cycling stability were also observed in NiO-600.

关键词： Mesoporous semiconductor NiO Gas sensing Acetone

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