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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

CFD-PBM coupled modeling of the liquid-liquid dispersion characteristics and structure optimization for Kenics static mixer

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Chinese Journal of chemical Engineering 2024年第6期70卷 173-188页

作者： Junhai Deng Shilin Lan Juchang Wu Shenghua Du Weidong Liu Luchang Han Yefeng Zhou National&Local United Engineering Research Centre for chemical process Simulation and Intensification Chemical Process Simulation and Optimization Engineering Research Center of Ministry of EducationXiangtan UniversityXiangtan 411105China Hunan Haili chemical Industry Company Limited Changsha 410000China

Kenics static mixers(KSM)are extensively used in industrial mixing-reaction processes by virtue of high mixing efficiency,low power homogenization and easy continuous *** liquid droplet size and its distribution and thus revealing the dispersion characteristics are of great significance for structural optimization and process intensification in the *** this work,a computational fluid dynamics-population balance model(CFD-PBM)coupled method is employed to systematically investigate the effects of operating conditions and structural parameters of KSM on droplet size and its distribution,to further reveal the liquid-liquid dispersion *** indicate that higher Reynolds numbers or higher dispersed phase volume fractions increase energy dissipation,reducing Sauter mean diameter(SMD)of dispersed phase droplets and with a shift in droplet size distribution(DSD)towards smaller *** aspect ratios,greater blade twist and assembly angles amplify shear rate,leading to smaller droplet size and a narrower DSD in the smaller *** degree of impact exerted by the aspect ratio is notably ***,mixing elements with different spin enhance shear and stretching *** to the same spin,SMD becomes 3.7-5.8 times smaller in the smaller size range with a significantly narrower *** into account the pressure drop and efficiency in a comprehensive manner,optimized structural parameters for the mixing element encompass an aspect ratio of 1-1.5,a blade twist angle of 180°,an assembly angle of 90°,and interlaced assembly of adjacent elements with different *** work provides vital theoretical underpinning and future reference for enhancing KSM performance.

关键词： CFD Population balance Liquid-liquid dispersion Kenics static mixer

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Deposition of thin TiO_(2)films on fluorophlogopite particle surface by CVD in fluidized bed reactor to prepare silver pearlescent pigments

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Particuology 2024年第6期89卷 88-98页

作者： Ming Liu Guoqiang Shao Pengpeng Lv Jun Li Qingshan Zhu 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

Two critical parameters:Glossiness and chromaticity space of pearlescent pigments were evaluated based on crystallinity and grain *** the roughness and the vertical distance evolution along the surface of deposited TiO_(2)film are affected by the *** optimal crystallinity of TiO_(2)was deposited at the temperature of 350℃.The TiCl4 concentration effectively changed the grain ***,the high flow rate of fluidizing gas and optimal gas–solid ratio(chemical vapor deposition method in a fluidized bed reactor.

关键词： Fluidized bed chemical vapor deposition TiO_(2)film deposition Pearlescent pigment Free powder restrain Crystal growth

Energy budget of cold and hot gas-solid fluidized beds through CFD-DEM simulations

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Particuology 2024年第6期89卷 153-171页

作者： Lei Bi Yunpeng Jiao Chunjiang Liu Jianhua Chen Wei Ge School of chemical Engineering and Technology Tianjin UniversityTianjin 300072China State Key Laboratory of Multiphase Complex systems Institute of Process EngineeringChinese Academy of SciencesBeijing100190China School of chemical Engineering University of Chinese Academy of SciencesBeijing 100049China

Direct energy budget is carried out for both cold and hot flow in gas–solid fluidization ***,the energy paths are proposed from thermodynamic *** consumption means total power input to the specific system,and it can be decomposed into energy retention and energy *** retention is the variation of accumulated mechanical energy in the system,and energy dissipation is the energy converted to heat by irreversible *** based on the Computational Fluid Dynamics-Discrete Element Method(CFD-DEM)framework,different energy terms are quantified from the specific flow elements of fluid cells and particles as well as their interactions with the *** order to clarify the energy budget,it is important to identify which system is studied:the particle-fluid system or the particle *** the cold flow,the total energy consumption of the particle sub-system can well indicate the onset of bubbling and turbulent,while the variation of local energy consumption terms can reflect the evolution of heterogeneous *** the hot flow,different heat transfer mechanisms are analyzed and the solver is modified to reproduce the experimental *** impact of the heat transfer mechanisms and heat production on energy consumption is also *** proposed budget method has proven to be energy-conservative and easy to conduct,and it is hopeful to be applied to other multiphase flow systems.

关键词： Energy budget Gas-solid fluidization CFD-DEM Regime transition Heat transfer mechanism

Application of surfactant for improving leaching process of weathered crust elution-deposited rare earth ores

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Journal of Rare Earths 2024年第1期42卷 181-190,I0007页

作者： Fang Zhou Lisen Zhang Zhiwei Wang Yixin Zhang Ru'an Chi Xiaoyan Wu Key Laboratory for Green chemical process of Ministry of Education Wuhan Institute of TechnologyWuhan430073China

Weathered crust elution-deposited rare earth ores(WREOs)in China are the main source of medium and heavy rare earths in the *** order to improve the seepage and the mass transfer of traditional ammonium salt leaching process of WREOs,surfactants were added in the ammonium sulfate leaching solution and the ammonium chloride leaching *** leaching kinetics,the mass transfer process,and the adhesion work reduction factor calculated from the interfacial properties were studied to reveal the strengthening mechanism of *** the presence of the tested five surfactants,cetyl trimethyl ammonium bromide(CTAB),dodecyl trimethyl ammonium bromide(DTAB),sodium dodecyl sulfate(SDS),sodium oleate and oleic acid,the permeability of WREOs is improved,the rare earth(RE)leaching efficiency increase and the impurity aluminum(Al)leaching efficiency decrease,indicating its promotional effect on the leaching process of ***,CTAB shows a better leaching enhancement,and the optimal addition dosage is 0.4 g/L for the two ammonium salt leaching agent *** kinetics analysis shows the internal diffusion controls model of RE and Al leaching process,and the leaching kinetics equations of RE and Al related to CTAB concentration were obtained for the two ammonium salt leaching *** to the chromatographic plate theory,the mass transfer efficiency of RE increases with the CTAB concentration increasing until 0.4 g/L,which confirms that the optimal CTAB addition is 0.4 g/*** adhesion work and adhesion work reduction factor indicate more favorable permeation as well as the leaching process.

关键词： Weathered crust elution-deposited rare earth ores Surfactant Kinetics Mass transfer

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Cobalt-nitrogen co-doped porous carbon sphere as highly efficient catalyst for liquid-phase cyclohexane oxidation with molecular oxygen and the active sites investigation

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Frontiers of chemical Science and Engineering 2024年第3期18卷 101-112页

作者： Lei Chen Yuan Sun Jinshan Chi Wei Xiong Pingle Liu Fang Hao College of chemical Engineering National&Local United Engineering Research Centre for Chemical Process Simulation and IntensificationXiangtan UniversityXiangtan411105China

The selective oxidation of cyclohexane to cyclohexanone and cyclohexanol(KA oil)is a challenging issue in the chemical *** present the industrial conversion of cyclohexane to cyclohexanone and cyclohexanol is normally controlled at less than 5%***,the development of highly active and stable catalysts for the aerobic oxidation of cyclohexane is necessary to overcome this low-efficiency ***,we have developed a cobalt-nitrogen co-doped porous sphere catalyst,Co-NC-x(x is the Zn/Co molar ratio,where x=0,0.5,1,2,and 4)by pyrolyzing resorcinol-formaldehyde resin *** achieved 88.28%cyclohexanone and cyclohexanol selectivity and a cyclohexane conversion of 8.88%under *** results showed that the introduction of zinc effectively alleviated the aggregation of Co nanoparticles and optimized the structural properties of the *** addition,Co0 and pyridinic-N are proposed to be the possible active species,and their proportion efficiently increased in the presence of Zn^(2+)*** this study,we developed a novel strategy to design highly active catalysts for cyclohexane oxidation.

关键词： KA oil production cyclohexane selective oxidation cobalt-nitrogen co-doped porous carbon spheres metal-organic framework

Theoretical study on the stability of nanobubbles and its verification in molecular dynamics simulation

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Particuology 2024年第4期87卷 99-105页

作者： Sheng Mi Chaofeng Hou Wei Ge School of chemical Engineering and Technology Tianjin UniversityTianjin300072China State Key Laboratory of Multiphase Complex systems Institute of Process EngineeringChinese Academy of SciencesBeijing.100190China School of chemical Engineering University of Chinese Academy of SciencesBeijing100049China

The stability of vapor nanobubbles in bulk liquid was investigated theoretically and the critical bubble size was derived from macroscale thermodynamic equations,below which the system destabilizes with sharp drop in *** critical size was quantitatively verified in molecular dynamic simulation using the Lennard-Jones model of argon,where stronger attraction between the molecules at lower density is found to contribute most to the drop of system pressure and,as the Laplace pressure on the curved bubble interface fails to balance the pressure difference across the interface,the bubbles become *** theoretical model could be extended to other systems where reliable equations of state and interfacial tension are available.

关键词： Nanobubble Stability Phase diagram Critical size

Synthesis of spherical nano-ZSM-5 zeolite with intergranular mesoporous for alkylation of ethylbenzene with ethanol to produce m-diethylbenzene

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Chinese Journal of chemical Engineering 2024年第3期67卷 298-309页

作者： Siyue Wang Jinhong Li Qingxin Xu Shengjie Song Yu'ni Jiang Lidong Chen Xin Shi Weiguo Cheng Faculty of Chemistry and chemical Engineering Liaoning Normal UniversityDalian 110629China Beijing Key Laboratory of Ionic Liquids Clean process Key Laboratory of Green Process and EngineeringInstitute of Process EngineeringChinese Academy of SciencesBeijing 100190China

Catalytic synthesis of m-diethylbenzene(m-DEB)through alkylation of ethylbenzene(EB)may be a promising alternative route in comparison with traditional rectification of mixed DEB,for which the top priority is to develop efficient and stable heterogeneous ***,the spherical nano-ZSM-5 zeolite with abundant intergranular mesoporous is synthesized by the seed-mediated growth method for alkylation of EB with ethanol to produce *** results show that the spherical nano-ZSM-5 zeolite exhibits better stability and higher alkylation activity at a lower temperature than those of commercial micropore *** then,the spherical nano-ZSM-5 is further modified by La_(2)O_(3) through acid treatment followed by immersion *** acid treatment causes nano-ZSM-5 to exhibit the increased pore size but decreased the acid sites,and subsequent La_(2)O_(3) loading reintroduces the weak acid *** a result,the HNO_(3)-La_(2)O_(3)-modified catalyst exhibits a slight increase in EB conversion and DEB yield in comparison with unmodified one,and meanwhile,it still maintains high m-DEB *** catalyst after acid treatment achieves higher catalytic stability besides maintaining the high alkylation activity of EB with *** present study on the spherical nano-HZSM-5 zeolite and its modification catalyst with excellent alkylation ability provides new insights into the production of mDEB.

关键词： Zeolite Modification Alkylation reaction m-diethylbenzene Catalyst Fixed-bed

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Current collectors' effects on the electrochemical performance of LiNi0.6Co0.2Mn0.2O2 suspension electrodes for lithium slurry battery

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Green Energy & Environment 2024年第8期9卷 1306-1313页

作者： Linshan Peng Yufei Ren Zhaoqiang Yin Zhitong Wang Xiangkun Wu Lan Zhang CAS Key Laboratory of Green process and Engineering Beijing Key Laboratory of Ionic Liquids Clean ProcessState Key Laboratory of Multiphase Complex SystemsInstitute of Process EngineeringChinese Academy of Sciences School of chemical Engineering University of Chinese Academy of Sciences Hefei University Institute of Mechanics Chinese Academy of Sciences Langfang Green Industrial Technology Center

Take after the advantages of lithium-ion battery（LIB） and redox flow battery（RFB）, semi-solid flow battery（SSFB） is a promising electrochemical energy storage device in renewable energy utilization. The flowable slurry electrode realizes decouple of energy and power density,while it also brings about new challenge to SSFBs, electron transport between active material and the out circuit. In this consideration, three types of current collectors（CCs） are applied to study the resistance and electrochemical performances of slurry cathodes within pouch cells for the first time. It proves that the electronic resistance（Re） between slurry electrode and the CC plays a decisive role in SSFB operation, and it is so large when Al foil is adopted that the cell cannot even work. Contact angle between Ketjen black（KB） slurry without active material（AM） and the CC is a preliminarily sign for the Re, the smaller the angle, the lower the resistance, and the better electrochemical performance of the cell.

关键词： Semi-solid flow battery Slurry electrode Current collector Electronic resistance Carbon coated Al