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Chinese Journal of Chemical Engineering 2018年第1期26卷 196-206页

作者： Tianrong Cao Weipeng Zhang jingcai cheng Chao Yang Key Laboratory of Green Process and Engineering Institute of Process EngineeringChinese Academy of SciencesBeijing 100190China Nanjing fiuzhang Chemical Technology Co.Ltd. Nanjing 21180China University of Chinese Academy of Sciences Beijing 100049China

The objective of this work is to study the reactive crystallization in an airlift-loop reactor （ALR） using the precipitation of Ni（OH）2 as a model reaction. The growth of Ni（OH）2 particles in an ALR and a stirred tank was quantified by scanning electronic microscope （SEM）, X-ray diffraction （XRD）, laser particle analyzer, tap densitometer and optical microscope, and the growth process of Ni（OH）2 particles is analyzed. It is found that the Ni（OH）2 particles prepared in an ALR have a better sphericity than those in a stirred tank and the growth of Ni（OH）2 particle tap density mainly depends on the size of crystallites： the bigger the size of crystallites, the bigger the tap density is. Based on these, the growth process of Ni（OH）2 particles in ALR is elaborated. Crystallites precipitated from solution aggregate to form large particles with much void. These constituting crystallites continue to grow up, that takes up the void inside particles and makes the tap densitv increase.

关键词： Reactive crystallization Airlift-loop reactor Nickel hydroxide Aggregation

Experimental study by online measurement of the precipitation of nickel hydroxide: Effects of operating conditions

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Chinese Journal of Chemical Engineering 2015年第5期23卷 860-867页

作者： Weiwei E jingcai cheng Chao Yang Zaisha Mao Key Laboratory of Green Process and Engineering Institute of Process Engineering Chinese Academy of Sciences Jiangsu Marine Resources Development Research Institute

The objective of this work is using the online measurement method to study the process of precipitation of nickel hydroxide in a single-feed semi-batch stirred reactor with an internal diameter ofD = 240mm. The effects of impeller speed, impeller type, impeller diameter and feed location on the mean particle size d43 and particle size distribution （PSD） were investigated, d43 and PSD were measured online using a Malvern Insitec Liquid Pro- cess Sizer every 20 s. It was found that d43 varied between 13 kwh and 26 lain under different operating conditions, and it decreased with increasing impeller diameter. When feeding at the off-bottom distance of D/2 under lower impeller speeds, d43 was significantly smaller than that at D/3. PSDs were slightly influenced by operating conditions.

关键词： Nickel hydroxide Precipitation Particle size distribution Online measurement Stirred tank Mixing

CFD-based optimization and design of multi-channel inorganic membrane tubes

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Chinese Journal of Chemical Engineering 2016年第10期24卷 1375-1385页

作者： Zhao Yang jingcai cheng Chao Yang Bin Liang College of Chemical Engineering Sichuan University Chengdu 610065China Key Laboratory of Green Process and Engineering Institute of Process EngineeringCASBeijing 100190China

As a major configuration of membrane elements,multi-channel porous inorganic membrane tubes were studied by means of theoretical analysis and *** optimization of a cylindrical 37-channel porous inorganic membrane tube was studied by increasing membrane filtration area and increasing permeation efficiency of inner *** optimal ratio of the channel diameter to the inter-channel distance was proposed so as to increase the total membrane filtration area of the membrane *** three-dimensional computational fluid dynamics(CFD) simulation was conducted to study the cross-flow permeation flow of pure water in the 37-channel ceramic membrane tube.A model combining Navier–Stokes equation with Darcy's law and the porous jump boundary conditions was *** relationship between permeation efficiency and channel locations,and the method for increasing the permeation efficiency of inner channels were *** novel multichannel membrane configurations with more permeate side channels were put forward and evaluated.

关键词： Inorganic membrane Multi-channel tube Computational fluid dynamics (CFD)Simulation Optimization

Research progress on preparation and purification of fluorine-containing chemicals in lithium-ion batteries

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Chinese Journal of Chemical Engineering 2022年第1期35卷 73-84页

作者： Xiaobin Liu Zhenguo Gao jingcai cheng Junbo Gong Jingkang Wang State Key Laboratory of Chemical Engineering School of Chemical Engineering and TechnologyTianjin UniversityTianjin 300072China CAS Key Laboratory of Green Process and Engineering Institute of Process EngineeringChinese Academy of SciencesBeijing 100190China The Co-Innovation Center of Chemistry and Chemical Engineering of Tianjin Tianjin 300072China

With the development of digital products,electric vehicles and energy storage technology,electronic chemicals play an increasingly prominent role in the field of new energy such as lithium-ion *** chemicals have attracted extensive attention in various *** of high-end electronic chemicals are high purity and low impurity content,which requires a very strict separation and purification *** present,crystallization is a key technology for their separation and purification of electronic *** this work,the representative fluorine-containing compounds in cathode and anode materials,separator and electrolyte of lithium-ion batteries are *** latest technologies for the preparation and purification of four kinds of fluorine-containing battery chemicals by crystallization technology are *** addition,the research prospects and suggestions are put forward for the separation of fluorine-containing battery chemicals.

关键词： Battery chemicals Lithium-ion batteries Crystallization Fluorine-containing chemicals

CFD-PBE simulation of a bubble column in OpenFOAM

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Chinese Journal of Chemical Engineering 2018年第9期26卷 1773-1784页

作者： jingcai cheng Qian Li Chao Yang Yongqiang Zhang Zaisha Mao CAS Key Laboratory of Green Process and Engineering Institute of Process EngineeringChinese Academy of SciencesBeijing 100190China University of Chinese Academy of Sciences Beijing 100049China SINOPEC Research Institute of Petroleum Processing Beijing 100083China

A general CFD-PBE(computational fluid dynamics-population balance equation) solver for gas–liquid poly-dispersed flows of both low and high gas volume fractions is developed in OpenFOAM(open-source field operation and manipulation) in this work. Implementation of this solver in OpenFOAM is illustrated in detail. The PBE is solved with the cell average technique. The coupling between pressure and velocity is dealt with the transient PIMPLE algorithm, which is a merged PISO-SIMPLE(pressure implicit split operator-semi-implicit method for pressure-linked equations) algorithm. Results show generally good agreement with the published experimental data, whereas the modeling precision could be improved further with more sophisticated closure models for interfacial forces, the models for the bubble-induced turbulence and those for bubble coalescence and *** results also indicate that the PBE could be solved out the PIMPLE loop to save much computation time while still preserving the time information on variables. This is important for CFD-PBE modeling of many actual gas–liquid problems, which are commonly high-turbulent flows with intrinsic transient and 3 D characteristics.

关键词： Population balance equation (PBE) Multiphase Bubble column OpenFOAM Computational fluid dynamics (CFD)

Influences of fluid physical properties,solid particles,and operating conditions on the hydrodynamics in slurry reactors

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Chinese Journal of Chemical Engineering 2022年第4期35卷 51-71页

作者： He Yang Aqiang Chen Shujun Geng jingcai cheng Fei Gao Qingshan Huang Chao Yang Key Laboratory of Biofuels Qingdao Institute of Bioenergy and Bioprocess Technology(QIBEBT)Chinese Academy of Sciences(CAS)Qingdao 266101China Dalian National Laboratory for Clean Energy(DNL) Dalian 116023China Synthetic Biology Technology Innovation Center of Shandong Province Qingdao 266101China Key Laboratory of Green Process and Engineering Institute of Process EngineeringChinese Academy of SciencesBeijing 100190China School of Chemical Engineering University of Chinese Academy of SciencesBeijing 100080China Petrochemical Research Institute China National Petroleum Corporation(CNPC)Beijing 100083China

Slurry reactors are popular in many industrial processes,involved with numerous chemical and biological mixtures,solid particles with different concentrations and properties,and a wide range of operating *** factors can significantly affect the hydrodynamic in the slurry reactors,having remarkable effects on the design,scale-up,and operation of the slurry *** article reviews the influences of fluid physical properties,solid particles,and operating conditions on the hydrodynamics in slurry ***,the influence of fluid properties,including the density and viscosity of the individual liquid and gas phases and the interfacial tension,has been ***,the solid particle properties(i.e.,concentration,density,size,wettability,and shape)on the hydrodynamics have been discussed in detail,and some vital but often ignored features,especially the influences of particle wettability and shape,as well as the variation of surface tension because of solid concentration alteration,are highlighted in this ***,the variations of physical properties of fluids,hydrodynamics,and bubble behavior resulted from the temperature and pressure variations are also summarized,and the indirect influences of pressure on viscosity and surface tension are addressed ***,conclusions and perspectives of these notable influences on the design and scale-up of industrial slurry reactors are presented.

关键词： Multiphase reactors Fluid physical properties Particle Operating conditions Bubble column Airlift loop reactor

Synthesis of NaY zeolite from a submolten depolymerized perlite:Alkalinity effect and crystallization kinetics

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Chinese Journal of Chemical Engineering 2024年第6期70卷 130-138页

作者： Yanli Qu Peng Dong Li Yang Yuanyuan Yue Haoliang Wang jingcai cheng Chao Yang CAS Key Laboratory of Green Process and Engineering State Key Laboratory of Petroleum Molecular&Process EngineeringInstitute of Process EngineeringChinese Academy of SciencesBeijing 100190China School of Chemical Engineering University of Chinese Academy of SciencesBeijing 100190China Qingyuan Innovation Laboratory Quanzhou 362801China National Engineering Research Center of Chemical Fertilizer Catalyst College of Chemical EngineeringFuzhou UniversityFuzhou 350108China

NaY zeolites are synthesized using submolten salt depolymerized natural perlite mineral as the main silica and alumina sources in a 0.94 L stirred *** of alkalinity ranging from 0.38 to 0.55(n(Na_(2)O)/n(SiO_(2)))on the relative crystallinity,textural properties and crystallization kinetics were *** results show that alkalinity exerts a nonmonotonic influence on the relative crystallinity and textural properties,which exhibit a maximum at the alkalinity of *** nucleation kinetics are studied by fitting the experimental data of relative crystallinity with the Gualtieri *** is shown that the nucleation rate constant increases with increasing alkalinity,while the duration period of nucleation decreases with increasing *** n(Na_(2)O)/n(SiO_(2))ratios ranging from 0.38 to 0.55,the as-synthesized NaY zeolites exhibit narrower crystal size distributions with the increase in *** growth rates determined from the variations of average crystal size with time are 51.09,157.50,46.17 and 24.75 nm·h^(-1),*** is found that the larger average crystal sizes at the alkalinity of 0.38 and 0.43 are attributed to the dominant role of crystal growth over ***,the combined action of prominent crystal growth and the longer duration periods of nucleation at the alkalinity of 0.38 and 0.43 results in broader crystal size *** findings demonstrate that control of the properties of NaY zeolite and the crystallization kinetics can be achieved by conducting the crystallization process in an appropriate range of alkalinity of the reaction mixture.

关键词： NaY zeolite Submolten salt depolymerized perlite Alkalinity Crystallization kinetics

Numerical investigation of the influence of kinetics and shape factor on barium sulfate precipitation in a continuous stirred tank

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Frontiers of Chemical Science and Engineering 2009年第3期3卷 272-281页

作者： Zheng WANG Zai-Sha MAO Chao YANG Qinghua ZHANG jingcai cheng National Engineering Laboratory for Hydrometallurgical Cleaner Production Technology Institute of Process EngineeringChinese Academy of SciencesBeijing 100190China State Key Laboratory of Chemical Safety and Control SINOPEC Qingdao Research Institute of Safety EngineeringQingdao 266071China

The effect of kinetics and shape factor on barium sulfate precipitation in a continuous stirred tank has been investigated numerically through solving the standard momentum and mass transport equations in combination with the moment equations for crystal population *** numerical method was validated with the literature *** simulated results include the distribution of the local supersaturation ratio in the reactor,the mean crystal size,and the coefficient of *** simulation results show that the value of shape factor used in the model affected greatly the mean crystal size and the moments of the crystal size *** influence of the kinetic expressions on the simulation is also *** is important to investigate the relationship of the shape factor with the precipitator type and other operation conditions to obtain reliable simulation results and suitable kinetic equations of crystal nucleation and growth rates.

关键词： stirred tank numerical simulation precipita-tion shape factor crystal kinetics

Machine learning-based solubility prediction and methodology evaluation of active pharmaceutical ingredients in industrial crystallization

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Frontiers of Chemical Science and Engineering 2022年第4期16卷 523-535页

作者： Yiming Ma Zhenguo Gao Peng Shi Mingyang Chen Songgu Wu Chao Yang Jing-Kang Wang jingcai cheng Junbo Gong School of Chemical Engineering and Technology State Key Laboratory of Chemical EngineeringTianjin UniversityTianjin 300072China The Co-Innovation Center of Chemistry and Chemical Engineering of Tianjin Tianjin 300072China Key Laboratory of Green Process and Engineering Institute of Process EngineeringChinese Academy of SciencesBeijing 100190China

Solubility has been widely regarded as a fundamental property of small molecule drugs and drug candidates,as it has a profound impact on the crystallization *** prediction,as an alternative to experiments which can reduce waste and improve crystallization process efficiency,has attracted increasing ***,there are still many urgent challenges thus *** we used seven descriptors based on understanding dissolution behavior to establish two solubility prediction models by machine learning *** solubility data of 120 active pharmaceutical ingredients(APIs)in ethanol were considered in the prediction models,which were constructed by random decision forests and artificial neural network with optimized data structure and model ***,a comparison with traditional prediction methods including the modified solubility equation and the quantitative structure-property relationships model was carried *** highest accuracy shown by the testing set proves that the ML models have the best solubility prediction *** linear regression and stepwise regression were used to further investigate the critical factor in determining solubility *** results revealed that the API properties and the solute-solvent interaction both provide a nonnegligible contribution to the solubility value.

关键词： solubility prediction machine learning artificial neural network random decision forests

Micromixing of a Two Phase System in a Stirred Tank with Multiple Impellers

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Advances in Materials Physics and Chemistry 2012年第4期2卷 150-153页

作者： Lei Yang jingcai cheng Ping Fan Chao Yang Key Laboratory of Green Process and Engineering Institute of Process Engineering Chinese Academy of Sciences Beijing 100190 China

The competitive iodide/iodate reaction scheme was used to ascertain the micromixing in the stirred solid-liquid systems. Two different glass beads from 450 to 1250 μm were tested. The effect of solid particles on reaction selectivity with multiple impellers at different feed points has been investigated. It was confirmed that glass beads as a second phase were suitable for the study. The segregation index has changed significantly only for the medium-sized particles at relatively high solid holdups. The cloud formation was clearly observed for the medium-sized particles at a concentration of 12.12 wt. %. When feeding into the clear liquid above the cloud, the value of the segregation index increased significantly. However, in the presence of particles of 1-1.25 mm, the influence on the selectivity was negligible when the agitation speed was increased.

关键词： Micromixing Parallel Reactions Two Phases Multiple Impellers