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The role of diffusion in the nucleation of calcium carbonate

Chinese Journal of Chemical engineering 2022年第3期35卷 275-281页

作者： Xiangyu Dou Haoyang Huang Yongsheng Han State Key Laboratory of Multiphase Complex Systems Institute of Process EngineeringChinese Academy of SciencesBeijing 100190China School of Chemical Engineering University of Chinese Academy of SciencesBeijing 100049China College of Chemistry and Molecular Engineering Peking UniversityBeijing 100871China

Nucleation widely exists in nature,from cloud formation to haze *** classical nucleation theory(CNT)was created to describe the nucleation process,but it fails to predict many experimental phenomena due to the short consideration of nanoscale phenomena and macroscale *** the attachment and detachment of monomers are considered in the developed model of nucleation,the diffusion of chemicals in the bulk is not valued as supersaturation in the nucleation process so *** we employ simulation and experimental approaches to investigate how the diffusion of ions affects the nucleation of calcium *** diffusion of ions is regulated by the viscosity of solvents and the sonication imposed on the *** is found that the nucleation rates increased exponentially with the diffusion coefficient of ions,which is beyond the prediction of *** abnormal finding might be ascribed to the involvement of cluster aggregation in the nucleation of calcium *** study highlights the significance of chemical diffusion in the nucleation process,which may help to revise the nucleation theory and develop solutions for the rational synthesis of materials,as well as for the control of air pollution.

关键词： Calcium carbonate Nucleation Simulation Diffusion Dynamics

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Near-field and photocatalytic properties of mono-and bimetallic nanostructures monitored by nanocavity surface-enhanced Raman scattering

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Nano Research 2023年第1期16卷 1545-1551页

作者： Rui Wang Zhe He Dmitry Kurouski State Key Laboratory of Bioelectronics School of Biological Science and Medical EngineeringSoutheast UniversityNanjing 210096China Department of Biochemistry and Biophysics Texas A&M UniversityCollege StationTX 77843USA Department of Biomedical Engineering California Institute of TechnologyPasadenaCA 91125USA The Institute for Quantum Science and Engineering Texas A&M UniversityCollege StationTX 77843USA

Localized surface plasmon resonances(LSPR)generated in a particle-film nanocavity enhance electric fields within a nanoscale *** can also decay into hot carriers,highly energetic species that catalyze photocatalytic reactions in molecular analytes located in close proximity to metal *** this study,we examined the intensity of the electric field(near-field)and photocatalytic properties of plasmonic nanocavities formed by single nanoparticles(SNP)on single nanoplates(SNL).Using 4-nitrobenzenethiol(4-NBT)as a molecular reporter,we determined the near-field responses,as well as measured rates of 4-NBT dimerization into 4,4-dimercaptoazobenzene(DMAB)in the gold(Au)SNP on AuSNL nanocavity(Au-Au),as well as in AuSNP on AgSNL(Au-Ag),AgSNP on AuSNL(Ag-Au),and AgSNP on AgSNL(Ag-Ag)nanocavities using 532,660,and 785 nm *** observed the strongest near-field signals of 4-NBT at 660 nm in all examined plasmonic systems that is found to be substantially red-shifted relative to the LSPR of the corresponding *** also found that rates of DMAB formation were significantly greater in heterometal nanocavities(Au-Ag and Ag-Au)compared to their monometallic counterparts(Au-Au and Ag-Ag).These results point to drastic differences in plasmonic and photocatalytic properties of mono and bimetallic nanostructures.

关键词： bimetal photocatalysis surface-enhanced Raman spectroscopy(SERS) plasmonic nanocavity hot electrons plasmoninduced photocatalysis

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An integrated flexible self-healing Zn-ion battery using dendrite-suppressible hydrogel electrolyte and free-standing electrodes for wearable electronics

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Nano Research 2023年第8期16卷 11000-11011页

作者： Jiawei Long Tianli Han Xirong Lin Yajun Zhu Yingyi Ding Jinyun Liu Huigang Zhang Key Laboratory of Functional Molecular Solids Ministry of EducationCollege of Chemistry and Materials ScienceAnhui Normal UniversityWuhu 241002China National Key Laboratory of Science and Technology on Micro/Nano Fabrication Department of Micro/Nano-electronicsShanghai Jiao Tong UniversityShanghai 200240China State Key Laboratory of Multiphase Complex Systems Institute of Process EngineeringChinese Academy of SciencesBeijing 100190China

Among many aqueous batteries,flexible zinc-ion(Zn-ion)battery becomes the focus owing to the merits of low cost,non-toxicity,and ***,a Zn dendrite-suppressible hydrogel electrolyte with both flexible and self-healing properties is developed via photoinitiated *** cross-linked structure of the polyacrylamide-N,N'-methylenebisacrylamide(PAM-MBA)-Zn/Mn hydrogel endows an enlarged chemical stable window,high ionic conductivity,and low polarization *** cycling at the current density of 0.5 mA·cm^(−2)for 250 h,Zn‖Zn symmetrical cell based on PAM-MBA-Zn/Mn electrolyte delivers a low polarization of 40 *** suppressed dendrite growth is ascribed to the uniform Zn deposition/stripping on *** galvanostatic intermittent titration technique curves display that the Zn-ion battery constructed by the PAM-MBA-Zn/Mn hydrogel electrolyte,free-standing FeVO_(4)/carbon cloth cathode,and Zn nanosheets/carbon cloth anode presents low reaction resistance and fast diffusion coefficient,indicating good endurance of cycling at high current *** battery with PAM-MBA-Zn/Mn hydrogel electrolyte presents a good flexible and self-healing *** bending 0°,60°,90°,and 180°for 30 times,batteries deliver stable *** cutting into ten pieces,the battery could self-heal and display a potential retention of 93.7%compared to the fresh cell.A good rate-performance is also *** cutting/healing three times during cycling,capacity recovers well compared to the first-time cutting/***,the battery exhibits good flexibility using in an electric watch,indicating a promising potential for wearable electronics.

关键词： Zn-ion battery flexible self-healing dendrite growth cycling life

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Effects of particle elongation on dense granular flows down a rough inclined plane

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Physical Review E 2024年第4期110卷 044902页

作者： Jixiong Liu Lu Jing Thomas Pähtz Yifei Cui Gordon G. D. Zhou Xudong Fu Institute for Ocean Engineering Shenzhen International Graduate School State Key Laboratory of Hydroscience and Engineering Department of Hydraulic Engineering State Key Laboratory of Hydraulics and Mountain River Engineering Institute of Port Coastal and Offshore Engineering Ocean College Beijing 100084 China Key Laboratory of Mountain Hazards and Earth Surface Process /

Granular materials in nature are nearly always nonspherical, but particle shape effects in granular flow remain largely elusive. This study uses discrete element method simulations to investigate how elongated particle shapes affect the mobility of dense granular flows down a rough incline. For a range of systematically varied particle length-to-diameter aspect ratios (AR), we run simulations with various flow thicknesses h and slope angles θ to extract the well-known hstop(θ) curves (below which the flow ceases) and the Fr−h/hstop relations following Pouliquen's approach, where Fr=u/gh is the Froude number, u is the mean flow velocity, and g is the gravitational acceleration. The slope β of the Fr−h/hstop relations shows an intriguing S-shaped dependence on AR, with two plateaus at small and large AR, respectively, transitioning with a sharp increase. We understand this S-shaped dependence by examining statistics of particle orientation, alignment, and hindered rotation. We find that the rotation ability of weakly elongated particles (AR≲1.3) remains similar to spheres, leading to the first plateau in the β-AR relation, whereas the effects of particle orientation saturate beyond AR≈2.0, explaining the second plateau. An empirical sigmoidal function is proposed to capture this nonlinear dependence. The findings are expected to enhance our understanding of how particle shape affects the flow of granular materials from both the flow- and particle-scale perspectives.

关键词： Granular avalanches Granular flows Dry granular materials Granular materials

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A Case Study Applying Mesoscience to Deep Learning

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engineering 2024年第8期39卷 84-93页

作者： Li Guo Fanyong Meng Pengfei Qin Zhaojie Xia Qi Chang Jianhua Chen Jinghai Li State Key Laboratory of Multiphase Complex Systems Institute of Process EngineeringChinese Academy of SciencesBeijing 100190China School of Chemical Engineering University of Chinese Academy of SciencesBeijing 100049China

In this paper,we propose mesoscience-guided deep learning(MGDL),a deep learning modeling approach guided by mesoscience,to study complex *** establishing sample dataset based on the same system evolution data,different from the operation of conventional deep learning method,MGDL introduces the treatment of the dominant mechanisms of complex system and interactions between them according to the principle of compromise in competition(CIC)in *** constraints are then integrated into the loss function to guide the deep learning *** methods are proposed for the addition of mesoscience *** physical interpretability of the model-training process is improved by MGDL because guidance and constraints based on physical principles are *** was evaluated using a bubbling bed modeling case and compared with traditional *** a much smaller training dataset,the results indicate that mesoscience-constraint-based model training has distinct advantages in terms of convergence stability and prediction accuracy,and it can be widely applied to various neural network *** MGDL approach proposed in this paper is a novel method for utilizing the physical background information during deep learning model *** exploration of MGDL will be continued in the future.

关键词： Mesoscience Deep learning Complex system Gas-solid system Bubbling bed

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Selective lithium extraction from spent LiNi0.5Co0.2Mn0.3O2/graphite mixed black powders and regeneration of single-crystal cathodes

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Journal of Industrial and engineering Chemistry 2025年 149卷 720-729页

作者： Wei, Daixiang Wang, Wei Jiang, Longjin Chang, Zhidong Anwar, Hira Sun, Qinglong Tian, Hongkai Dong, Bin Zhou, Hualei Gao, Dekun School of Chemistry and Biological Engineering University of Science and Technology Beijing Beijing100083 China State Key Laboratory of Biochemical Engineering Institute of Process Engineering Chinese Academy of Sciences Beijing100190 China Anhui Chaoyue Environmental Protection Technology Co. Ltd Anhui Province Chuzhou239060 China Anhui Huihong Technology Co. Ltd Anhui Province Chuzhou239060 China

Selective recovery of specific elements from spent lithium-ion batteries is essential for the sustainable development of finite resources. An approach to selectively extract lithium from the spent mixed black powder and regenerate single-crystal cathodes was proposed in this work. Firstly, (NH4)2SO4 was utilized to convert some of the spent LiNi0.5Co0.2Mn0.3O2(S-NCM523) in the mixed black powders to sulfates with different thermodynamic stability. With the further increase in temperature, the transition metal sulfates continued reaction with residual NCM523 (r-NCM523) generated water-soluble phase Li2SO4 and water-insoluble slag phase Ni-Co-Mn-O/graphite. It was worth mentioning that the graphite in the black powder reduced the Gibbs free energy of the sulfate roasting reaction under air atmosphere, which helped to reduce energy consumption. Then, 95.73 % of the Li was recovered by water-leaching, which was further converted into battery-grade Li2CO3. The precursor Ni0.5Co0.2Mn0.3(OH)2 was obtained by co-precipitation after acid leaching and filtration of the slag phase to remove residual graphite. Finally, the regeneration single-crystal NCM523 (RSC-NCM523) exhibited stable cycling performance compared with commercial single-crystal NCM523 (CSC-NCM523), which had an initial discharge specific capacity of 151.2 mAh g−1 at 1C and the capacity retention rate of 92.20 % after 100 cycles. © 2025

关键词： Gibbs free energy

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Pre-reduction of WO_(3)-Co_(3)O_(4)by H_(2)-C_(2)H_4 in a fluidized bed

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Chinese Journal of Chemical engineering 2024年第2期66卷 273-284页

作者： Huijun Shang Hengli Li Weijun Li Feng Pan Zhan Du State Key Laboratory of Multiphase Complex Systems Institute of Process EngineeringChinese Academy of Sciences(CAS)Beijing 100190China College of Chemical Engineering Nanjing Technology UniversityNanjing 211816China School of Chemistry and Chemical Engineering Shihezi UniversityShihezi 832003China College of Chemical Engineering University of Chinese Academy of SciencesBeijing 100049China Chinalco Environmental Protection and Energy Conservation Group Co. Ltd.Xiong’an 071700China

In order to avoid the formation ofηphase(W_(6)Co_(6)C or W_(3)Co_(3)C)that adversely affects the sintering process and its products in the preparation process of ultra-fine WC-Co powder,a technical route of prereduction of WO_(3)-Co_(3)O_(4)to WO_(2)-Co and then deep reduction carbonization to WC-Co powder has been *** study mainly investigates the influence of gas partial pressure on the pre-reduction process of WO_(3)-Co_(3)O_(4)under a mixed atmosphere of H_(2)-C_(2)H_(4)-Ar at 600℃and establishes the kinetic equations of pre-reduction and carbon *** results indicate that increasing the partial pressure of hydrogen is conducive to the rapid and complete conversion of WO_(3) to WO_(2).High carbon content can be generated by the deposition of C_(2)H_(4),and it hinders the diffusion of the reducing gas;WO_(3)still cannot be completely reduced to WO_(2)as the partial pressure of C_(2)H_(4) increases to 60%.For the carbon evolution of C_(2)H_(4),the carbon amount is positively related to the H_(2)partial pressure,but it shows the highest amount and evolution rate when the ethylene partial pressure is 20%.Based on the reduction rate curves of WO_(3) and carbon evolution rate curves of C_(2)H_(4),the rate equations of pre-reduction and carbon evolution of WO_(3)-Co_(3)O_(4)system at 600℃are *** pre-reduction reaction belongs to the first-order reaction,and its equation is expressed as follows:r=-(dw_(WO_(3)))/dt=(9±0.15)×10^(-2)×P_(H_(2))^(0.44)P_(C_(2)H_(4))&(0.57)The carbon deposition rate equation of C_(2)H_(4) can be expressed as follows:r=-(dc_C)/dt=r_f-r_b≌7.35×10^(-2)×P_(C_(2)H_(4))^(0.31)

关键词： Fluidization WO_(3)-Co_(3)O_(4) Reduction Carbon deposition Rate equation

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Transcriptome analysis of adipose tissue and muscle of Laiwu and Duroc pigs

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Animal Nutrition 2024年第2期17卷 134-143页

作者： Jie Wu Fangyuan Yu Zhaoyang Di Liwen Bian Jie Yang Lina Wang Qingyan Jiang Yulong Yin Lin Zhang National Engineering Research Center for Breeding Swine Industry State Key Laboratory of Swine and Poultry Breeding IndustryGuangdong Laboratory of Lingnan Modern AgricultureGuangdong Provincial Key Laboratory of Animal Nutrition ControlCollege of Animal ScienceSouth China Agricultural UniversityGuangzhou510642GuangdongChina Key Laboratory of Agro-Ecological Processes in Subtropical Region Laboratory of Animal Nutritional Physiology and Metabolic ProcessInstitute of Subtropical AgricultureChinese Academy of SciencesChangsha410125HunanChina

Fat content is an important trait in pig *** tissue and muscle are important sites for fat deposition and affect production efficiency and *** regulate the fat content in these tissues,we need to understand the mechanisms behind fat *** pigs,a Chinese indigenous breed,have significantly higher fat content in both adipose tissue and muscle than commercial breeds such as *** this study,we analyzed the transcriptomes in adipose tissue and muscle of 21-d-old Laiwu and Duroc *** showed that there were 828 and 671 differentially expressed genes(DEG)in subcu-taneous adipose tissue(SAT)and visceral adipose tissue(VAT),*** enrichment analysis showed that these DEG were enriched in metabolic pathways,especially carbohydrate and lipid ***,in the longissimus muscle(LM)and psoas muscle(PM),312 and 335 DEG were identified,demonstrating enrichment in the cell cycle and metabolic *** protein-protein interaction(PPI)networks of these DEG were analyzed and potential hub genes were identified,such as FBP1 and SCD in adipose tissues and RRM2 and GADL1 in ***,results showed that there were common DEG between adipose tissue and muscle,such as LDHB,THRSP,and *** findings showed that there are significant differences in the transcriptomes of the adipose tissue and muscle between Laiwu and Duroc piglets(P<0.05),especially in metabolic *** insight serves to advance our comprehensive understanding of metabolic regulation in these tissues and provide tar-gets for fat content regulation.

关键词： Laiwu Duroc Adipose Muscle Transcriptome Carbohydrate and lipid metabolism

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In-situ growth of heterophase Ni nanocrystals on graphene for enhanced catalytic reduction of 4-nitrophenol

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Nano Research 2022年第2期15卷 1230-1237页

作者： Jiahao Zhuang Feng He Xianglin Liu Pengchao Si Fangna Gu Jing Xu Yu Wang Guangwen Xu Ziyi Zhong Fabing Su School of Chemical Engineering University of Chinese Academy of SciencesBeijing 100049China State Key Laboratory of Multiphase Complex Systems Institute of Process EngineeringChinese Academy of SciencesBeijing 100190China Key Laboratory on Resources Chemicals and Materials of Ministry of Education Shenyang University of Chemical TechnologyShenyang 110142China State Key Laboratory of Chemical Engineering School of Chemical EngineeringEast China University of Science and TechnologyShanghai 200237China Department of Chemical Engineering Guangdong Technion-Israel Institute of Technology(GTIIT)Shantou 515063China Technion-Israel Institute of Technology(IIT) Haifa 32000Israel

Generating heterophase structures in nanomaterials,e.g.,heterophase metal nanocrystals,is an effective way to tune their physicochemical properties because of their high-energy nature and unique electronic environment of the generated ***,the direct synthesis of heterophase metal nanocrystals remains a great challenge due to their unstable ***,we report the in situar direct synthesis of heterophase Ni nanocrystals on *** heterostructure of face-centered cubic(fee)and hexagonal close-packed(hep)phase was generated via the epitaxial growth of hep Ni and the partial transformation of fee Ni and stabilized by the anchoring effect of graphene toward fee Ni nanocrystal and the preferential adsorption of surfactant polyethylenimine(PEI)toward epitaxial hep *** with the fee Ni nanocrystals grown on graphene,the heterophase(fcc/hcp)Ni nanocrystals in situ grown on graphene showed a greatly improved catalytic activity and reusability in 4-nitrophenol(4-NP)reduction to 4-aminophenol(4-AP).The measured apparent rate constant and the activity parameter were 2.958 min^(-1) and 102 min^(-1)·mg^(-1),respectively,higher than that of the best reported non-noble metal catalysts and most noble metal *** control experiments and density functional theory calculations reveal that the interface of the fee and hep phases enhances the adsorption of substrate 4-NP and thus facilitates the reaction *** work proves the novel idea for the rational design of heterophase metal nanocrystals by employing the synergistic effect of surfactant and support,and also the potential of creating the heterostructure for enhancing their catalytic reactivity.

关键词： heterophase structure Ni nanocrystals graphene 4-nitrophenol(4-NP)reduction catalysts

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Advances in thermal-related analysis techniques for solid-state lithium batteries

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InfoMat 2023年第4期5卷 77-116页

作者： Jianan Wang Kai Yang Shiyi Sun Qianyue Ma Gong Yi Xin Chen Ze Wang Wei Yan Xinhua Liu Qiong Cai Yunlong Zhao Department of Environmental Science and Engineering State Key Laboratory of Multiphase Flow in Power EngineeringSchool of Energy and Power EngineeringXi'an Jiaotong UniversityXi'anthe People's Republic of China Department of Chemical&Process Engineering Faculty of Engineering and Physical SciencesUniversity of SurreyGuildfordUK Advanced Technology Institute University of SurreyGuildfordUK School of Transportation Science and Engineering Beihang UniversityBeijingthe People's Republic of China

Solid-state lithium batteries(SSLBs)have been broadly accepted as a promising candidate for the next generation lithium-ion batteries(LIBs)with high energy density,long duration,and high *** intrinsic non-flammable nature and electrochemical/thermal/mechanical stability of solid electrolytes are expected to fundamentally solve the safety problems of conventional ***,thermal degradation and thermal runaway could also happen in *** example,the large interfacial resistance between solid electrolytes and electrodes could aggravate the joule heat generation;the anisotropic thermal diffusion could trigger the uneven temperature distribution and formation of hotspots further leading to lithium dendrite *** research efforts have been devoted to exploring solid electrolytes with outstanding performance and harmonizing interfacial incompatibility in the past *** have been fewer comprehensive reports investigating the thermal reaction process,thermal degradation,and thermal runaway of *** review seeks to highlight advanced thermal-related analysis techniques for SSLBs,by focusing particularly on multiscale and multidimensional thermal-related characterization,thermal monitoring techniques such as sensors,thermal experimental techniques imitating the abuse operating condition,and thermalrelated advanced *** perspectives are proposed to bridge fundamental studies to technological relevance for better understanding and performance optimization of SSLBs.

关键词： characterization monitoring simulation solid-state batteries thermal technique

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