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An integrated technology for the absorption and utilization of CO_(2)in alkanolamine solution for the preparation of BaCO_(3)in a high-gravity environment

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Chinese Journal of chemical engineering 2024年第8期72卷 117-125页

作者： Kangrui Nie Ruize Shang Fuming Miao Liuxiang Wang Youzhi Liu Weizhou Jiao Shanxi Province Key laboratory of chemical process intensification and School of Chemistry and chemical engineering North University of ChinaTaiyuan 030051China

In this study,an integrated technology is proposed for the absorption and utilization of CO_(2)in alkanolamine solution for the preparation of BaCO_(3)in a high-gravity *** effects of absorbent type,high-gravity factor,gas/liquid ratio,and initial BaCl2concentration on the absorption rate and amount of CO_(2)and the preparation of BaCO_(3)are *** results reveal that the absorption rate and amount of CO_(2)follow the order of ethyl alkanolamine(MEA)>diethanol amine(DEA)>N-methyldiethanolamine(MDEA),and thus MEA is the most effective absorbent for CO_(2)*** absorption rate and amount of CO_(2)under high gravity are higher than that under normal ***,the absorption rate at 75 min under high gravity is approximately 2 times that under normal *** is because the centrifugal force resulting from the high-speed rotation of the packing can greatly increase gas-liquid mass transfer and *** particle size of BaCO_(3)prepared in the rotating packed bed is in the range of 57.2—89 nm,which is much smaller than that prepared in the bubbling reactor(>100.3 nm),and it also has higher purity(99.6%)and larger specific surface area(14.119 m^(2)·g^(-1)).It is concluded that the high-gravity technology has the potential to increase the absorption and utilization of CO_(2)in alkanolamine solution for the preparation of BaCO_(3).This study provides new insights into carbon emissions reduction and carbon utilization.

关键词： High-gravity technology Wet absorption CO_(2)capture Enhanced mass transfer CO_(2)utilization Barium carbonate

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chemical looping reforming of the micromolecular component from biomass pyrolysis via Fe_(2)O_(3)@SBA-16

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International Journal of Coal Science & Technology 2024年第3期11卷 120-134页

作者： Yunchang Li Bo Zhang Xiantan Yang Bolun Yang Shengyong Zhang Zhiqiang Wu Shaanxi Key laboratory of Energy chemical process intensification School of Chemical Engineering and TechnologyXi’an Jiaotong UniversityXi’an710049ShaanxiPeople’s Republic of China

To solve the problems of low gasification efficiency and high tar content caused by solid–solid contact between biomass and oxygen carrier in traditional biomass chemical looping gasification *** decoupling strategy was adopted to decouple the biomass gasification process,and the composite oxygen carrier was prepared by embedding Fe_(2)O_(3) in molecular sieve SBA-16 for the chemical looping reforming process of pyrolysis micromolecular model compound methane,which was expected to realize the directional reforming of pyrolysis volatiles to prepare hydrogen-rich *** analysis of the reaction system was carried out based on the Gibbs free energy minimization method,and the reforming performance was evaluated by a fixed bed reactor,and the kinetic parameters were solved based on the gas–solid reaction *** analysis verified the feasibility of the reaction and provided theoretical guidance for experimental *** experimental results showed that the reaction performance of Fe_(2)O_(3)@SBA-16 was compared with that of pure Fe_(2)O_(3) and Fe_(2)O_(3)@SBA-15,and the syngas yield was increased by 55.3%and 20.7%respectively,and it had good cycle *** analysis showed that the kinetic model changed from three-dimensional diffusion to first-order reaction with the increase of *** activation energy was 192.79 kJ/mol by *** paper provides basic data for the directional preparation of hydrogen-rich syngas from biomass and the design of oxygen carriers for pyrolysis of all-component chemical looping reforming.

关键词： Biomass pyrolysis Methane chemical looping reforming Oxygen carrier Kinetic analysis

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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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Solvent effects on Diels-Alder reaction in ionic liquids:A reaction density functional study

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Chinese Journal of chemical engineering 2024年第2期66卷 180-188页

作者： Zijiang Dou Weiqiang Tang Peng Xie Shuangliang Zhao Guangxi Key laboratory of Petrochemical Resource processing and process intensification Technology and School of Chemistry and chemical engineering Guangxi UniversityNanning 530004China State Key laboratory of chemical engineering and School of chemical engineering East China University of Science and TechnologyShanghai 200237China

Extensive experimental studies have been performed on the Diels-Alder(DA)reactions in ionic liquids(ILs),which demonstrate that the IL environment can significantly influence the reaction rates and ***,the underlying microscopic mechanism remains *** this work,the multiscale reaction density functional theory is applied to explore the effect of 1-butyl-3-methylimidazolium hexafluorophosphate([BMIM][PF_(6)])solvent on the reaction of cyclopentadiene(CP)with acrolein,methyl acrylate,or *** analyzing the free energy landscape during the reaction,it is found that the polarization effect has a relatively small influence,while the solvation effect makes both the activation free energy and reaction free energy *** addition,the rearrangement of local solvent structure shows that the cation spatial distribution responds more evidently to the reaction than the anion,and this indicates that the cation plays a dominant role in the solvation effect and so as to affect the reaction rates and selectivity of the DA reactions.

关键词： Solvent effect Ionic liquids Diels-Alder reaction reaction density functional theory

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Novel self-assembled porous yolk-shell NiO nanospheres with excellent electrochromic performance for smart windows

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Particuology 2024年第1期84卷 72-80页

作者： Baoshun Wang Ya Huang Siming Zhao Run Li Di Gao Hairong Jiang Rufan Zhang Beijing Key laboratory of Green chemical reaction engineering and Technology Department of Chemical EngineeringTsinghua UniversityBeijing100084China

With the rapid development of optoelectronics,electrochromic(EC)materials(ECMs)with the advan-tages of low power consumption,easy viewing,high contrast ratio,etc have attached more and more attention from the fields of smart windows,electronic billboards,emerging wearable and portable electronics,and other next-generation *** oxide(NiO)is a promising candidate for high-performance ECMs because of its neutral-colored states and low ***,NiO-based ECMs still face the problem of slow switching speed due to their low electrical conductivity and small lattice ***-organic frameworks(MOFs)are promising candidates to fabricate hollow and porous transition metal oxides(TMOs)with high ion transport efficiency,excellent specific capacitance,and electrochemical *** this work,porous yolk-shell NiO nanospheres(PYS-NiO NSs)were syn-thesized via a solvothermal and subsequent calcination process of Ni-MOF,which exhibited outstanding EC *** the large specific surface areas and hollow porous nanostructures were conducive to ionic transport,PYS-NiO NSs exhibited a fast coloring/bleaching speed(3.6/3.9 s per one coloring/bleaching cycle)and excellent cycling stability(82%of capacity retention after 3000 cycles).These superior EC properties indicated that the PYS-NiO NSs was a promising candidate for high-performance EC *** work provides a new and feasible strategy for the efficient preparation of TMOs ECMs with good EC performance,especially fast switching speed.

关键词： Electrochromic Nickel oxide Metal-organic frameworks Hollow structure Smart windows

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One-step conversion of methane and formaldehyde to ethanol over SA-FLP dual-active-site catalysts: A DFT study

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Chinese chemical Letters 2024年第4期35卷 544-548页

作者： Tao Ban Xi-Yang Yu Hai-Kuo Tian Zheng-Qing Huang Chun-Ran Chang Shaanxi Key laboratory of Energy chemical process intensification School of Chemical Engineering and TechnologyXi'an Jiaotong UniversityXi'an 710049China Shaanxi Key laboratory of Low Metamorphic Coal Clean Utilization School of Chemistry and Chemical EngineeringYulin UniversityYulin 719000China

One-step conversion of methane and formaldehyde into ethanol is a 100% atom-efficient process for carbon resources utilization and environment protection but still faces eminent challenges due to the lacking of efficient catalysts. Therefore, developing active and stable catalysts is crucial for the co-conversion of methane and formaldehyde. Herein, twelve kinds of “Single-Atom”-“Frustrated Lewis Pair”(SA-FLP)dual-active-site catalysts are designed for the direct conversion of methane and formaldehyde to ethanol based on density functional theory(DFT) calculations and microkinetic simulations. The results show that the SA-FLP dual active sites can simultaneously activate methane at the SA site and activate formaldehyde at the FLP site. Among the twelve designed SA-FLP catalysts, Fe1-FLP shows the best performance in the co-conversion of methane and formaldehyde to ethanol with the rate-determining barrier of 1.15 e *** is proved as the main product with the turnover frequency of 1.32 × 10^(-4)s^(-1)at 573 K and 3 *** work provides a universal strategy to design dual active sites on metal oxide materials and offers new insights into the effective conversion of methane and formaldehyde to desired C_(2) chemicals.

关键词： Single-atom Frustrated Lewis pairs Methane conversion Dual active sites Ethanol synthesis

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Micro-sized nanoaggregates:Spray-drying-assisted fabrication and applications

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Particuology 2024年第2期85卷 22-48页

作者： Dan-Lei Yang Rong-Kun Liu Yan Wei Qian Sun Jie-Xin Wang School of Life Sciences and chemical engineering Jiangsu Second Normal UniversityNanjing210013China State Key laboratory of Organic-Inorganic Composites Beijing University of Chemical TechnologyBeijing100029China Guangxi Key laboratory of Petrochemical Resource processing and process intensification Technology School of Chemistry and Chemical EngineeringGuangxi UniversityNanning530004China

The applications of nanoparticles suffer from their extremely small size and intrinsic trend of *** nanoparticles to form micro-sized nanoaggregates(MNAs)with increased size,ordered structure,as well as controllable size,shape,and morphology is a crucial step in various fields of science and technology to maintain the unique characteristics of nanoparticles while obtaining greatly enhanced or new performance at the *** structure of MNAs prominently affects their functionality,which is determined by the arrangement of nanoparticles and the interaction between primary *** methods have been proposed to prepare the MNAs,in which spray-drying technology stands out considering the feasibility,scalability for industry,cost,and *** assembly of nanoparticles through spray-drying under tunable process parameters yields diverse physical properties and structural arrangements of nanoparticles of the MNAs,they therefore exhibit enormous potential in a wide range of application *** review presents the construction and applications of spray-dried *** factors that influence the size,morphology,and structure of the MNAs are discussed in *** addition,the outstanding application performance resulting from the tightly packed nanoparticles in regular-shaped MNAs obtained by the spray-drying process is illustrated.

关键词： Spray-drying Micro-sized nanoaggregates Applications

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Preparation of biomass-derived carbon loaded with MnO_(2) as lithium-ion battery anode for improving its reversible capacity and cycling performance

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Frontiers of chemical Science and engineering 2024年第1期18卷 107-120页

作者： Likai Zhu Huaping Lin Wenli Zhang Qinhui Wang 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 411100China Guangdong Provincial Key laboratory of Plant Resources Biorefinery School of Chemical Engineering and Light IndustryGuangdong University of TechnologyGuangzhou 510006China State Key laboratory of Clean Energy Utilization Zhejiang UniversityHangzhou 310027China

Biomass-derived carbon materials for lithiumion batteries emerge as one of the most promising anodes from sustainable ***,improving the reversible capacity and cycling performance remains a long-standing *** combining the benefits of K2CO_(3) activation and KMnO_(4) hydrothermal treatment,this work proposes a two-step activation method to load MnO_(2) charge transfer onto biomass-derived carbon(KAC@MnO_(2)).Comprehensive analysis reveals that KAC@MnO_(2) has a micro-mesoporous coexistence structure and uniform surface distribution of MnO_(2),thus providing an improved electrochemical ***,KAC@MnO_(2) exhibits an initial chargedischarge capacity of 847.3/1813.2 mAh·g^(-1) at 0.2 A·g^(-1),which is significantly higher than that of direct pyrolysis carbon and K2CO_(3) activated carbon,***,the KAC@MnO_(2) maintains a reversible capacity of 652.6 mAh·g^(-1) after 100 *** at a high current density of 1.0 A·g^(-1),KAC@MnO_(2) still exhibits excellent long-term cycling stability and maintains a stable reversible capacity of 306.7 mAh·g^(-1) after 500 *** with reported biochar anode materials,the KAC@MnO_(2) prepared in this work shows superior reversible capacity and cycling ***,the Li+insertion and de-insertion mechanisms are verified by ex situ X-ray diffraction analysis during the chargedischarge process,helping us better understand the energy storage mechanism of KAC@MnO_(2).

关键词： biomass-derived carbon MnO_(2) lithium-ion batteries anode material high reversible capacity

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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

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Controlling solid form and crystal habit of triphenylmethanol by antisolvent crystallization in a microfluidic device

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Chinese chemical Letters 2024年第4期35卷 393-398页

作者： Jun Lu Jinrui Yan Yaohao Guo Junjie Qiu Shuangliang Zhao Bo Bao East China University of Science and Technology Shanghai 200237China Guangxi Key laboratory of Petrochemical Resource processing and process intensification Technology and School of Chemistry and chemical engineering Guangxi UniversityNanning 530004China

Crystal habit and crystal form are critical elements in determining product properties and functions. In this work, we developed a microfluidic antisolvent crystallization technique to rapidly screen and accurately control the solid form and crystal habit of triphenylmethanol(Ph_(3)COH). This advanced technique separates the primary mixing of solutions from crystal formation(nucleation and growth) by introducing the microfluidic device, avoiding clogging in microchannels to obtain high-quality crystals. The results show that we can achieve controllable preparation of pure 2Ph_(3)COH·DMSO(DMSO solvate), pure Ph_(3)COH(form β), and mixed crystals with different mass ratios. Moreover, the microscale can prompt the DMSO solvate to grow into hexagonal sheet-like and bulk crystals. We can regulate the aspect ratio of hexagonal sheet-like crystals in binary solvents and control the crystal habit of the form β to transition between long needle-like shapes and short hexagonal prisms in DMF-H_(2)O. Meanwhile, we revealed that the solvent ratio, the antisolvent flow rate, and the initial concentration of Ph_(3)COH are the main factors affecting the solid form selectivity and morphology transition. Such a novel method would be considered as a promising technique to be extended to screen and control key crystallization parameters of other substances.

关键词： Microfluidics Triphenylmethanol Antisolvent crystallization Crystal habit Solid form

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