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Insight into the role of ethylene glycol on thermodynamics and nucleation kinetics of dimethyl terephthalate in mixed solvent system

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Particuology 2024年第2期85卷 1-12页

作者： Yujin Zhang Chunyan Shi Jing Tang Li Liu Dongxia Yan Qing Zhou Xingmei Lu Songyan Jia College of Chemical engineering Shenyang University of Chemical TechnologyShenyang110142China Bejing Key Laboratoryoflonic Liquids Clean process CAS Key LaboratoryofGreen Process and EngineeringState Key Laboratoryof Multiphase Complex SystemsInstitute of Process EngineeringChinese Academy of SciencesBeijing100190China School of Chemistry and Chemical engineering Qingdao UniversityQingdao266071China Henan Institute of Advanced Technology Zhengzhou UniversityZhengzhou450001China School of Chemical engineering University of Chinese Academy of SciencesBeijing100049China

Dissolution and nucleation are two essential processes for industrial *** paper in-vestigates the effect of ethylene glycol addition on the crystallization behavior of dimethyl terephthalate(DMT)in *** DMT solubility in mixed solvent system(methanol-ethylene glycol)was deter-mined by isothermal satiation approach,and the solubility was associated using seven *** model fitting results were consistent with the experimental *** on the results,the metastable zone width(MSZW)of DMT was detected by the polythermal approach;the modified Sangwal's theory was used to investigate the nucleation behavior,which can provide a new way of thought for better analysis of the crystallization *** results demonstrated that MSZW was associated with various elements,such as cooling rate,saturation temperature and mass fraction of ethylene *** addition of ethylene glycol slowed down the nucleation rate as shown by the broadening of *** derive the solid-liquid interface energy,the nucleation driving force,the critical nucleation size and the critical Gibbs free energy according to the classical nucleation *** is demonstrated that the nucleation driving force and the solid-liquid interface energy are dependent and jointly influence the MSZW.

关键词： Dissolution Nucleation Solubility Apparent thermodynamic parameters Metastable zone width Solid-liquid interface energy

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Direct observation of ordered-disordered structural transition of MoS_(2)-confined ionic liquids

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Chinese Journal of Chemical engineering 2024年第8期72卷 126-132页

作者： Yumiao Lu Weilu Ding Kun Li Yanlei Wang Bobo Cao Ruirui He Hongyan He CAS Key Laboratory of Green process and engineering State Key Laboratory of Mesoscience and EngineeringBeijing Key Laboratory of Ionic Liquids Clean ProcessInstitute of Process EngineeringChinese Academy of SciencesBeijing 100190China University of Chinese Academy of Sciences Beijing 100049China Longzihu New Energy Laboratory Zhengzhou Institute of Emerging Industrial TechnologyZhengzhou 450000China

Ionic liquids(ILs)are an emerging class of media of fundamental importance for chemical engineering,especially due to their interaction with solid ***,we explore the growth phenomenon of surface-confined ILs and reveal a peculiar structural transition behavior from order to disorder above a threshold *** behavior can be explained by the variation of interfacial forces with increasing distance from the solid *** structural observation of different ILs highlights the influence of the ionic structure on the growth ***,the length of the alkyl chain in the cation is found to be a determining factor for the ordering ***,the thermal stability of surface-confined ILs is investigated in depth by controlling annealing *** is found that the ordered monolayer ILs exhibit high robustness against high *** findings provide new perspectives on the properties of surface-confined ILs and open up potential avenues for manipulating the structures of nanometer-thick IL films for various applications.

关键词： Ionic liquids(ILs) Surface-confined ILs Structural transition Thermal stability Interfacial forces

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Non-equilibrium kinetic separation of thulium,yttrium and erbium on the surface of freely rising oil droplets

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Journal of Rare Earths 2024年第1期42卷 200-209,I0007页

作者： Na Sui Shukai Miao Kaihui Cui Fancheng Meng Kun Huang School of Metallurgical and Ecological engineering University of Science and Technology BeijingBeijing100083China Beijing Key Laboratory of Green Recovery and Extraction of Rare and Precious Metals University of Science and Technology BeijingBeijing100083China Key Laboratory of Green process and engineering Institute of Process EngineeringChinese Academy of SciencesBeijing100190China

It is difficult to achieve selective separation and enrichment of different rare earths from high abundance yttrium ores efficiently only dependent on their discrepancy in thermodynamic *** present work suggests a new strategy based on non-equilibrium kinetic separation of Er and Tm on the surface of freely rising oil droplets to control the separation order of *** is revealed that the mutual separation of Er/Tm is significantly promoted with the separation coefficient of 2.89 during the non-equilibrium extraction with the addition of diethylenetriaminepentaacetic acid(DTPA).The extraction sequence of Tm,Er and Y can be controlled as Tm>Y>Er,thus Y can be selectively enriched during the process of separation of Er and Tm,Such a sequence is subject to the controllable dissociation rates of RE(Ⅲ)-DTPA complexes and extraction abilities of P507 with the three RE(Ⅲ)*** dissociation rate is dependent on the stabilities of RE(Ⅲ)-DTPA complexes and follows the sequence ofY(Ⅲ)—DTPA Er>Y to Tm>Y>Er.

关键词： DTPA Interface interaction Non-equilibrium kinetic separation Rare earths P507

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Fully distributed dynamic event-triggered formation-containment tracking for multiagent systems with multiple types of disturbances

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Science China(Information Sciences) 2024年第1期67卷 168-186页

作者： Weihua LI Huaguang ZHANG Juan ZHANG Rui WANG College of Information Science and engineering Northeastern University State Key Laboratory of Synthetical Automation for process Industries Northeastern University

This paper is dedicated to addressing the time-varying output formation-containment tracking(TVOFCT) problem for heterogeneous linear multiagent systems(MASs) with multiple types of disturbances under directed communication *** agents are divided into tracking leaders,formation leaders,and *** the output space,the formation leaders are required to form an expected geometric formation while tracking the tracking leader,and the followers are required to enter the convex hull spanned by formation ***,a disturbance observer is designed to observe the disturbance with deterministic ***,by combining adaptive technology with event-triggered technology,an independent fully distributed dynamic event-triggered(FDDET) compensator is designed to estimate the state of the tracking *** main advantages of this compensator lie in the following three aspects:(1) the adaptive weight does not increase unboundedly;(2) the interval time between events is expanded;(3) the design does not rely on any global *** to the design of this compensator,an independent FDDET convex hull observer is further designed to observe the convex hull spanned by formation ***,based on the designed disturbance observer,compensator,and convex hull observer,the adaptive disturbance rejection control input which can make the MASs achieve TVOFCT is ***,a numerical simulation is provided to clearly verify the validity of the theoretical results.

关键词： formation-containment tracking disturbance rejection multiagent systems fully distributed control dynamic event-triggered control

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Enhanced carbon capture with motif-rich amino acid loaded defective robust metal-organic frameworks

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Nano Research 2024年第3期17卷 2004-2010页

作者： Qi-Ye Ju Jia-Jia Zheng Li Xu Hai-Yan Jiang Zi-Qian Xue Lu Bai Yang-Yang Guo Ming-Shui Yao Ting-Yu Zhu State Key Laboratory of Multi-phase Complex Systems CAS Key Laboratory of Green Process and EngineeringBeijing Key Laboratory of Ionic Liquids Clean ProcessInstitute of Process EngineeringChinese Academy of SciencesBeijing 100190China Laboratory of Theoretical and Computational Nanoscience National Center for Nanoscience and TechnologyChinese Academy of SciencesBeijing 100190China School of Rare Earths University of Science and Technology of ChinaHefei 230026China Ganjiang Innovation Academy Chinese Academy of SciencesGanzhou 341000China University of Chinese Academy of Sciences Chinese Academy of SciencesBeijing 100049China Institute for Integrated Cell-Material Sciences Kyoto UniversityInstitute for Advanced StudyKyoto UniversityYoshidaUshinomiya-choSakyokuKyoto 606-8501Japan

The use of metal-organic frameworks(MOFs)as solid adsorption materials for carbon capture is promising,but achieving efficient and reversible adsorption with a balance of capacity and selectivity for carbon dioxide(CO_(2))over N_(2) remains a *** take full advantage of the strong channel traffic and robustness of MOFs with relatively small pores,it is highly necessary to employ a defect-engineering strategy to construct a broader channel structure that can facilitate the loading of functional motif-rich amino acids(AAs).This strategy can greatly enhance the CO_(2) adsorption performance of *** this study,motif-rich amino acids are loaded into the defective and robust porous frameworks via combined defect-engineering and post-synthetic *** defective Zr/Hf-MOF-808s modified with AAs,especially for the 18 mol%4-nitroisophthalic acid,generated defective products allowing for the loading of L-serine(L-Ser).This modification resulted in a significant improvement in both the adsorption capacity(248%improvement at 298 K,100 kPa)and the selectivity of CO_(2)/N_(2) using the ideal adsorbed solution theory(IAST),with the selectivity increasing to 120.55 and 38.27 at 15 and 100 kPa,respectively,while maintaining good cycling *** functional theory(DFT)simulation,CO_(2) temperature-programmed desorption(CO_(2)-TPD),and in situ Fourier transform infrared spectroscopy(FTIR)were further employed to have a better understanding of the enhanced CO_(2) adsorption ***,unlike the AAs loaded pristine MOF-808s that showed the best CO_(2) adsorption capacity with the loading of short and small glycine(Gly),the broadened channel size in our work enables the loading of functional motif-rich L-serine,which brings more active binding sites,improving CO_(2) adsorption.

关键词： carbon capture and storage metal-organic framework(MOF) amino acids(AAs) defect-engineering motif-rich

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Steady-state multiscale CFD simulation of a circulating fluidized bed riser

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Particuology 2024年第10期93卷 54-64页

作者： Zhaojie Ke Yujie Tian Fei Li Bona Lu Wei Wang State Key Laboratory of Mesoscience and engineering Institute of Process EngineeringChinese Academy of SciencesBeijing100190China School of Chemical engineering University of Chinese Academy of SciencesBeijing100049China

Compared to transient simulation,steady-state simulation of circulating fluidized bed risers is more efficient,but is also harder to perform due to the complex scale-dependency of dense gas-solid *** this work,steady-state computational fluid dynamics(CFD)simulation of a riser is performed using the steady energy-minimization multi-scale(EMMS)*** is found that the steady state corresponds to an extremely large scale of length and time,thus the grid size required in steady-state simulation is larger than that in transient *** time-averaged two-fluid model(TFM)coupled with the steady-state EMMS/1M drag model enables a good prediction of the S-shaped,axial solids distribution and the choking transition,whereas the two-phase turbulence and solids stress models are important in predicting the radially core-annular distribution of *** far as we know,this is the first time that one can predict the choking transition in a steady-state CFD *** improvement may need an EMMS modeling of the time-averaged solid stresses.

关键词： Fluidization Drag force Steady state Simulation Mesoscale

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study on a semi-resolved CFD-DEM method for rod-like particles in a gas-solid fluidized bed

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Particuology 2024年第4期87卷 20-36页

作者： Liping He Zhengxian Liu Yongzhi Zhao Department of Mechanics School of Mechanical EngineeringTianjin UniversityTianjin300350China Insttute of process quipment College of Energy EngineeringZhejiang UniversityHangzhou30027China

Based on a semi-resolved CFD-DEM coupling method,this study proposed a method that uses the minimum distance between the fluid grid and the particle boundary as a reference value to determine the degree of influence of the target fluid grid on the particle's drag force.A fluidized bed of rod-like particles was chosen as a typical case to investigate the effect of different fluid grid scales on various fluidized bed characteristic *** calculation performance of the semi-resolved and unre-solved CFD-DEM coupling algorithm on key fluidized bed characteristic parameters such as average pressure drop,particle frequency distribution with bed height,and particle orientation distribution were *** was found that the semi-resolved CFD-DEM coupling algorithm gradually obtained results with higher consistency with decreasing fluid grid scale for key parameters such as particle frequency distribution with bed height,particle orientation distribution,and time-history mixing index,exhibiting a phenomenon similar to grid independence in fluid *** comparing with experimental results,it was verified that the semi-resolved CFD-DEM coupling algorithm can be applied to simulate multi-granular gas-solid systems with fluid grid scales equivalent to particle *** algorithm solves the limitation of fluid grid scale in the unresolved CFD-DEM coupling framework and improves the grid adaptability of the CFD-DEM coupling simulation algorithm.

关键词： CFD-DEM Semi-resolved method Fluid-solid flow Non-spherical particle Fluidized bed

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Pressurized environments directly influence friction and wear of dry steel contacts—Investigations in a novel high fluid pressure tribometer

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Friction 2024年第7期12卷 1599-1617页

作者： Paul REICHLE Jakob BARZ Georg UMLAUF Günter E.M.TOVAR Institute of Interfacial process engineering and Plasma Technology(IGVP) University of StuttgartStuttgart 70569Germany Fraunhofer Institute for Interfacial engineering and Biotechnology(IGB) Stuttgart 70569Germany

To reduce the usage of classical lubricants in deep drawing,a new tribological system based on volatile lubricants was ***,a volatile medium is injected under high pressure into the interstice between drawing tool and sheet *** on temperature and pressure,the temporary lubricant may exist in its gaseous or liquid *** this study,a novel high fluid pressure tribometer was designed to investigate the friction and wear of dry steel contacts under comparable conditions like in dry deep ***,a new ball-on-disc tribometer was designed and integrated into a high-pressure *** specifically investigate the effects of different environments(technical air,liquid and gaseous carbon dioxide,nitrogen,argon)at atmospheric and high pressure(0.1 MPa,6 MPa)on tribology,the specimens and all components were operating *** the experiments,the friction was measured *** show that the highest friction occurs in air and the lowest in carbon dioxide *** to the experiments,the wear of the specimens was assessed along with changes in surface chemistry related to tribochemical ***,the tribology of the dry sliding contacts is correlated to changes of the surface *** differences as well as similarities regarding the different fluid environments are *** the results show,the differences between the media used are most pronounced at elevated ***,this work gives clear indications on the suitability of volatile lubricants in dry friction or rather gas lubrication,especially for dry deep drawing.

关键词： dry friction and dry wear gas lubrication carbon dioxide tribo-layer dry metal forming

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Gas–solid reactor optimization based on EMMS-DPM simulation and machine learning

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Particuology 2024年第6期89卷 131-143页

作者： Haolei Zhang Aiqi Zhu Ji Xu Wei Ge State Key Laboratory of Mesoscience and engineering Institute of Process EngineeringChinese Academy of SciencesBeijing 100190China 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 Innovation Academy for Green Manufacture Chinese Academy of SciencesBeijing 100190China

Design,scaling-up,and optimization of industrial reactors mainly depend on step-by-step experiments and engineering experience,which is usually time-consuming,high cost,and high *** numerical simulation can reproduce high resolution details of hydrodynamics,thermal transfer,and reaction process in reactors,it is still challenging for industrial reactors due to huge computational *** this study,by combining the numerical simulation and artificial intelligence(AI)technology of machine learning(ML),a method is proposed to efficiently predict and optimize the performance of industrial reactors.A gas–solid fluidization reactor for the methanol to olefins process is taken as an example.1500 cases under different conditions are simulated by the coarse-grain discrete particle method based on the Energy-Minimization Multi-Scale model,and thus,the reactor performance data set is *** develop an efficient reactor performance prediction model influenced by multiple factors,the ML method is established including the ensemble learning strategy and automatic hyperparameter optimization technique,which has better performance than the methods based on the artificial neural ***,the operating conditions for highest yield of ethylene and propylene or lowest pressure drop are searched with the particle swarm optimization algorithm due to its strength to solve non-linear optimization *** show that decreasing the methanol inflow rate and increasing the catalyst inventory can maximize the yield,while decreasing methanol the inflow rate and reducing the catalyst inventory can minimize the pressure *** two objectives are thus conflicting,and the practical operations need to be compromised under different circumstance.

关键词： Discrete particle method Artificial intelligence Machine learning Particle swarm optimization Industrial reactor optimization

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Cascaded four-wave mixing all-optical wavelength converter based on highly nonlinear fiber deposited graphene oxide

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Journal of Materials Science & Technology 2024年第4期171卷 10-15页

作者： Yuanhongliu Gao Xiaoyu Chen Tonglei Cheng Fang Wang Xin Yan College of Information Science and engineering State Key Laboratory of Synthetical Automation for Process IndustriesNortheastern UniversityShenyang 110819China

The all-optical wavelength conversion using cascaded four-wave mixing(FWM)phenomena with graphene oxide(GO)and a highly nonlinear fiber(HNLF)device is demonstrated *** has a strong third-order nonlinear effect and is an excellent nonlinear optical material for nonlinear optical wavelength *** group velocity matching of pump and signal,HNLF,and GO amplification promote the cascaded nonlinear frequency mixing *** the experimental and analytical results,the maximum spacing between signal and pump is 21 nm,and specifically,the order of cascaded FWM light increases from order 1 to order 2 with increasing GO,and the first-order FWM conversion effi-ciency increases to a maximum of−14.5 *** the best of our knowledge,this is the first time that cascaded FWM-based all-optical wavelength conversion in HNLF-GO with wide wavelength selectivity is investigated with combined pump and signal *** findings not only provide an effective method for achieving all-optical wavelength conversion in cascaded FWM but also offer the possibility of fabricating high-performance nonlinear optical devices.

关键词： Four-wave mixing Graphene oxide Highly nonlinear fiber Optical wavelength conversion

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