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Green chemical engineering 2024年第2期5卷 236-244页

作者： Chi Ma Lihong Zhao Zhengxin Mao Hao Su Qingfen Liu CAS Key Laboratory of Green Process and engineering Institute of Process EngineeringChinese Academy of SciencesBeijing100190China School of chemical engineering University of Chinese Academy of SciencesBeijing100049China

Industrial pharmaceutical wastewater usually contains butyl acetate(BA)with a concentration of 1 wt%-7 wt%,and the traditional method for BA recovery is distillation with high energy consumption.Adsorption method is developed to recover BA with low concentration for the high efficiency and low energy consumption.Medium polar polyacrylate resins with macroporous structure of 233.1 nm and average particle size of about 526.5μm are successfully synthesized by suspension polymerization and used for the BA adsorption and desorption.The maximum adsorption capacity reaches 171.1 mg g^(-1)with relative standard deviation(RSD)value of 0.2%,which is more than twice the results in the literature.The BA desorption rate is 97.0%at 100℃with RSD value of 0.4%,and the resins are beneficial to the reuse in the adsorption-desorption cycle.The adsorption thermodynamics and kinetics are investigated,and the BA adsorption is a spontaneous and endothermic process with the increase of disorder degree.This process is mainly contributed by physical absorption and agree well with Freundlich model and pseudo-first-order adsorption kinetic model.The adsorption method avoids boiling a large amount of wastewater and hopefully provides a novel alternative technology for the BA recovery.

关键词： Butyl acetate recovery Resin adsorption Desorption Thermodynamics Kinetics

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Compositional evolution for mixed aerosols containing gluconic acid and typical nitrate and the effect of multiply factors on hygroscopicity

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Journal of Environmental sciences 2024年第5期139卷 206-216页

作者： Yue Zhu Shufeng Pang Yunhong Zhang School of Chemistry and chemical engineering Beijing Institute of TechnologyBeijing 100081China

The aging process of atmospheric aerosols usually leads to a mixture of inorganic salts and organic compounds of anthropogenic origin.In organic compounds,polyhydroxy organic acids are important components,however,the study on composition and hygroscopic properties of the mixture containing inorganics and polyhydroxy organic acids is scanty.In this study,gluconic acid,the proxy of polyhydroxy organic acids,is mixed with the representative nitrate(Mg(NO_(3))_(2),Ca(NO_(3))_(2))to form aerosols.ATR-FTIR and optical microscopy are employed to study the component changes and hygroscopicity as a function of relative humidity.As relative humidity fluctuates,the FTIR-ATR spectra display that the internal mixed gluconic acid(CH_(2)(CH)_(4)(OH)_(5)COOH)and nitrate can react to release acidic gases,forming relevant gluconate and further affecting the hygroscopicity.The specific presentation is particles cannot be recovered to their original size after the dehydration-hydration process and there will be some disparities in GF for mixed particles.For the gluconic acid-Ca(NO_(3))_(2)/Mg(NO_(3))_(2)mixtures with molar ratios of 1:1,higher degree of reaction resulting in the production of large amounts of gluconate should be responsible to the lower hygroscopicity compared to ZSR model.For 1:2 gluconic acid-nitrate mixed systems(with higher nitrate content),the hygroscopicity of mixtures are higher than the ZSR prediction.A possible reason could be‘salt-promoting effect’on the organic fractions of the surplus inorganic salt in the mixture.These data can improve the chemical composition list evaluation,in turn hygroscopic properties and phase state of atmospheric aerosol,and then the climate effect.

关键词： Hygroscopicity Gluconic acid Reaction ZSR simulation Size growth factors

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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 systems.First,the energy paths are proposed from thermodynamic viewpoints.Energy consumption means total power input to the specific system,and it can be decomposed into energy retention and energy dissipation.Energy retention is the variation of accumulated mechanical energy in the system,and energy dissipation is the energy converted to heat by irreversible processes.Then 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 wall.In order to clarify the energy budget,it is important to identify which system is studied:the particle-fluid system or the particle sub-system.For 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 structures.For the hot flow,different heat transfer mechanisms are analyzed and the solver is modified to reproduce the experimental results.The impact of the heat transfer mechanisms and heat production on energy consumption is also investigated.The 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

Research progress on rolling superlubricity in solid lubricants

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Science China Technological sciences 2024年第7期67卷 1980-1990页

作者： LI PanPan LI HongXuan ZHU DongXiang ZHU YongQi KANG FuYan WANG Wan ZHANG YaXin LIU XiaoHong JI Li ZHOU HuiDi CHEN JianMin State Key Laboratory of Solid Lubrication Lanzhou Institute of Chemical Physics Chinese Academy of Sciences Center of Materials Science and Optoelectronics engineering University of Chinese Academy of Sciences School of chemical engineering Northwest Minzu University

Superlubricity is an ideal lubrication state where friction nearly vanishes between contact interfaces. It has become one of the most important research topics and approaches owing to its significance in reducing energy consumption and preventing device failures. As an efficient and universal lubricating principle capable of achieving superlubricity, rolling lubrication has attracted widespread attention in recent years. In this review, the theoretical concept of rolling lubrication and the experimental research progress of spherical/scroll structures are summarized. The review focuses on the possibility of achieving rolling lubrication using spherical/scroll structures(such as spherical fullerenes, carbon nanotubes, and formed and constructed spherical/scroll structures). The challenges in achieving rolling lubrication are summarized, and the possibility of molecular rolling lubrication,as well as its potential applications in superlubrication, are discussed.

关键词： spherical/scroll structure rolling lubrication superlubricity fullerene

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 pressure.This 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 unstable.The 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

Hydrochar and synthetic natural gas co-production for a full circular economy implementation via hydrothermal carbonization and methanation:An economic approach

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Journal of Environmental sciences 2024年第6期140卷 69-78页

作者： Judith González-Arias Guillermo Torres-Sempere Miriam González-Castaño Francisco MBaena-Moreno Tomás RReina Inorganic Chemistry Department and Materials sciences institute University of Seville-CSICSevilleSpain Materials sciences institute(ICMSE) CSIC-University of SevilleSevilleSpain Department of Chemistry and chemical engineering Chalmers University of TechnologyGothenburgSE 41296Sweden

Herein we study the economic performance of hydrochar and synthetic natural gas coproduction from olive tree pruning.The process entails a combination of hydrothermal carbonization and methanation.In a previous work,we evidenced that standalone hydrochar production via HTC results unprofitable.Hence,we propose a step forward on the process design by implementing a methanation,adding value to the gas effluent in an attempt to boost the overall process techno-economic aspects.Three different plant capacities were analyzed(312.5,625 and 1250 kg/hr).The baseline scenarios showed that,under the current circumstances,our circular economy strategy in unprofitable.An analysis of the revenues shows that hydrochar selling price have a high impact on NPV and subsidies for renewable coal production could help to boost the profitability of the process.On the contrary,the analysis for natural gas prices reveals that prices 8 times higher than the current ones in Spain must be achieved to reach profitability.This seems unlikely even under the presence of a strong subsidy scheme.The costs analysis suggests that a remarkable electricity cost reduction or electricity consumption of the HTC stage could be a potential strategy to reach profitability scenarios.Furthermore,significant reduction of green hydrogen production costs is deemed instrumental to improve the economic performance of the process.These results show the formidable techno-economic challenge that our society faces in the path towards circular economy societies.

关键词： Hydrothermal carbonization CO_(2)waste valorization Methanation Profitability analysis

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Tuning the electronic conductance of REHx（RE = Nd, Ce, Pr） by structural deformation

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Journal of Energy Chemistry 2024年第8期95卷 440-445页

作者： Shangshang Wang Weijin Zhang Jirong Cui Shukun Liu Hong Wen Jianping Guo Teng He Hujun Cao Ping Chen Dalian institute of chemical Physics Chinese Academy of Sciences Center of Materials Science and Optoelectronics engineering University of Chinese Academy of Sciences State Key Laboratory of Catalysis Chinese Academy of Sciences

Hydride ion（H-） conductors have drawn much attention due to their potential applications in hydrideion-based devices. Rare earth metal hydrides（REHx） have fast H-conduction which, unfortunately, is accompanied by detrimental electron conduction preventing their application as ion conductors. Here,REHx（RE = Nd, Ce, and Pr） with varied grain sizes, rich grain boundaries, and defects have been prepared by ball milling and subsequent sintering. The electronic conductivity of the ball-milled REHxsamples can be reduced by 2–4 orders of magnitude compared with the non-ball-milled samples. The relationship of electron conduction and miscrostructures in REHxis studied and discussed based on experimental data and previously-proposed classical and quantum theories. The H-conductivity of all REHxis about 10-4to 10-3S cm-1at room temperature, showing promise for the development of H-conductors and their applications in clean energy storage and conversion.

关键词： Crystal defect Electron conduction Electron scattering Hydride ion conduction Nanosized grain

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 size.Both the roughness and the vertical distance evolution along the surface of deposited TiO_(2)film are affected by the crystallinity.The optimal crystallinity of TiO_(2)was deposited at the temperature of 350℃.The TiCl4 concentration effectively changed the grain size.However,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

Multifunction-oriented high-mobility polymer semiconductors

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National Science Review 2024年第3期11卷 16-19页

作者： Mingliang Zhu Yunlong Guo Yunqi Liu Beijing National Laboratory for Molecular sciences Organic Solids Laboratory Institute of Chemistry Chinese Academy of Sciences School of chemical sciences University of Chinese Academy of Sciences

The discovery of conductive polyacetylene has initiated interdisciplinary research into condensed matter physics and synthetic chemistry in organic electronics. Unlike their inorganic and small-molecule counterparts, polymer semiconductors possess the inherent advantages of facile solution processing,large-area manufacturing, excellent mechanical strength and intrinsic flexibility.

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Construction of Naphthalenediimide Lanthanide(Ⅲ)-MOFs and Composites Incorporated Electron-Rich Pyrene Derivative as Multifunctional Fluorescence Sensing for Nitro Aromatic Compounds and Aldehydes

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Chinese Journal of Chemistry 2024年第3期42卷 283-293页

作者： Rong Huo Ting Zhang Guang Zeng Chen Wang Yong Heng Xing Feng Ying Bai College of Chemistry and chemical engineering Liaoning Normal UniversityDalianLiaoning116029 China State Key Laboratory of Catalysis Dalian Institute of Chemical PhysicsChinese Academy of SciencesDalianLiaoning116023 China

The development of host-guest MOF luminescent composites has attracted considerable attention. However,it is still a challenge to reasonably design large scale conjugated polycarboxylic acids metal-organic framework (MOF) and modulate donor-acceptor interaction. Herein,a series of isostructural 3D porous lanthanide MOF [Ln_(2)(BINDI)0.5(NO_(3))(DMA)(H_(2)O)]∙DMA∙2.5H_(2)O (Ln = La (1),Ce (2),Pr (3) and Nd (4);H_(4)BINDI (N,N’-bis(5-isophthalic acid)-1,4,5,8-naphthalenediimide) were synthesized. Considering the electron-deficient performances of Ln-BINDI MOFs,D-A type composites Ln-MOFs (1—4@H_(4)TBAPy) were prepared via the incorporation of electron-rich H_(4)TBAPy (1,3,6,8-tetrakis(p-benzoic acid) pyrene),which more improved the luminescence performance of complexes 1—4 and can be used as fluorescence sensors for the detection of nitro compounds and aldehydes. High sensitivity of 1@H_(4)TBAPy towards pNBA,pNA PNP,DNP,and TNP could be achieved through hydrogen bond interactions between MOF and analytes,as well as the π-π interaction between H_(4)TBAPy and the naphthalene ring of BINDI,thus the fluorescence quenching efficiency of 1@H_(4)TBAPy was better than that of the complex 1. In addition,it is found that 1@H_(4)TBAPy has high selectivity and sensitivity to aromatic aldehyde SA,5-Mesal and HMBA. Such strategy to enhance the emission of NDI based Ln-BINDI MOFs,will open up an avenue to obtain more fluorescent MOFs for sensing.

关键词： Ln-MOF Pyrene molecule NACs Aldehydes Fluorescence sensing Carboxylate ligands Charge transfer Donor-acceptor systems