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Chinese Journal of Polymer Science 2019年第6期37卷 617-626页

作者： Yu-Jie Wang Su-Ying Yan Zhi-Ping Zhao Zhen-Yu Xi School of Chemistry and chemical Engineering Beijing Institute of Technology Environmental Protection research institute Beijing Research Institute of Chemical IndustrySINOPEC

The growing demand for non-toxic solvents for membrane preparation has motivated the studies for green and sustainable alternatives of solvents. The effect of droplet isothermal growth within the liquid-liquid phase separation region on isothermal spherulitic growth rate of isotactic polypropylene(iPP) was investigated. The results showed that the droplets grew up at a rate of 0.0172 μm·s^(-1). The larger droplets slowed down the isothermal spherulitic growth rate of iPP. Higher mass ratio of carnauba wax(Cwax)/soybean oil(SO)resulted in faster droplet growth due to weak interaction with polymers. The isothermal crystallization behaviors of iPP in environmentfriendly binary diluents consisting of Cwax and SO mixture were further investigated experimentally using polarized optical microscopy.It was demonstrated that the isothermal spherulitic growth rate of iPP in diluents decreased nonlinearly with the increasing crystallization temperature. Compared with virgin iPP, isothermal spherulitic growth rate of iPP in SO diluent was significantly slowed down. The spherulitic growth was further retarded after the addition of Cwax in mixed diluents, resulting in a lower crystallization rate than that in SO. Moreover, the crystal form of iPP membranes was found to be α type through the characterization of small angle X-ray scattering and wide angle X-ray diffraction.

关键词： Isotactic polypropylene Carnauba wax Isothermal crystallization kinetics PP membrane

纤维型电池面向可穿戴应用发展方向的最新进展

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Journal of Central South University 2022年第9期29卷 2837-2856页

作者：李源王一博张浩赵鹏程陈龙马骏陈熙邦林志宏邱景义曹高萍 Military Power Sources research and Development Center Research Institute of Chemical DefenseBeijing 100191China

现代社会对即时通讯、健康监测和智能办公处理的大量需求,使得便携式或可穿戴设备蓬勃发展,迫切需要更小巧、灵活、轻便的电源系统。近年来,纤维型电池由于其1D结构可以适应各种变形,并集成到织物和其他柔性设备中,具有极大的潜力满足... 详细信息

现代社会对即时通讯、健康监测和智能办公处理的大量需求,使得便携式或可穿戴设备蓬勃发展,迫切需要更小巧、灵活、轻便的电源系统。近年来,纤维型电池由于其1D结构可以适应各种变形,并集成到织物和其他柔性设备中,具有极大的潜力满足柔性可穿戴电子设备的需求。针对其性能和可穿戴应用的大量研究极大地促进了该领域的快速发展。本文首先综述了纤维型电池近年来的发展状况,并对纤维型电池的结构和材料进行了讨论。然后,探讨了电池的柔韧性及其面向可穿戴的应用前景。最后,提出了该领域仍存在的一些问题和挑战,以期提出纤维型电池进一步发展的研究方向。

关键词：柔性电子设备纤维型电池柔性电极可穿戴应用

Different efficiency toward the biomimetic aerobic oxidation of benzyl alcohol in microchannel and bubble column reactors: Hydrodynamic characteristics and gas–liquid mass transfer

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Chinese Journal of chemical Engineering 2023年第3期55卷 84-92页

作者： Qi Han Xin-Yuan Zhang Hai-Bo Wu Xian-Tai Zhou Hong-Bing Ji Fine chemical Industry research institute School of Chemical Engineering and TechnologySun Yat-sen UniversityZhuhai 519082China Fine chemical Industry research institute School of ChemistrySun Yat-sen UniversityGuangzhou 510275China Huizhou research institute Sun Yat-sen UniversityHuizhou 516081China

The selective aerobic oxidation of benzyl alcohol to benzaldehyde has attracted considerable attention because benzaldehyde is a high value-added product. The rate of this typical gas–liquid reaction is significantly affected by mass transfer. In this study, CoTPP-mediated(CoTPP: cobalt(II) mesotetraphenylporphyrin) selective benzyl alcohol oxidation with oxygen was conducted in a membrane microchannel(MMC) reactor and a bubble column(BC) reactor, respectively. We observed that 83% benzyl alcohol was converted within 6.5 min in the MMC reactor, but only less than 10% benzyl alcohol was converted in the BC reactor. Hydrodynamic characteristics and gas–liquid mass transfer performances were compared for the MMC and BC reactors. The MMC reactor was assumed to be a plug flow reactor,and the dimensionless variance was 0.29. Compared to the BC reactor, the gas–liquid mass transfer was intensified significantly in MMC reactor. It could be ascribed to the high gas holdup(2.9 times higher than that of BC reactor), liquid film mass transfer coefficient(8.2 times higher than that of BC reactor), and mass transfer coefficient per unit interfacial area(3.8 times higher than that of BC reactor). Moreover,the Hatta number for the MMC reactor reached up to 0.61, which was about 15 times higher than that of the BC reactor. The computational fluid dynamics calculations for mass fractions in both liquid and gas phases were consistent with the experimental data.

关键词： Membrane microchannel reactor Gas-liquid flow Mass transfer Benzyl alcohol Computational fluid dynamics(CFD) Bubble column reactor

Ciprofloxacin degradation in photo-Fenton and photo-catalytic processes: Degradation mechanisms and iron chelation

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Journal of Environmental Sciences 2019年第6期31卷 82-92页

作者： Ardhendu Sekhar Giri Animes Kumar Golder Department of chemical Engineering Indian Institute of Science Education and Research Bhopal Department of chemical Engineering Indian Institute of Technology Guwahati

Ciprofloxacin(CIP)is a broad spectrum synthetic antibiotic drug of fluoroquinolones class.CIP can act as a bidentate ligand forming iron complexes during its degradation in the photoFenton process(PFP).This work investigates on PFP for the degradation of CIP to understand the formation mechanism and stability of iron complexes under ultraviolet(UV)-light illumination.A comparison was made with the UV-photocatalysis(UV/TiO_2)process where CIP doesn't form a complex.In PFP,the optimal dose of Fe^(2+)and H_2O_2were found to be 1.25 and10 mmol/L with pH of 3.5.An optimal TiO_2dose of 1.25 g/L was determined in the UV/TiO_2process.Maximum CIP removal and mineralization efficiency of 93.1%and 47.3%were obtained in PFP against 69.7%and 27.6%in the UV/TiO_2process.The mass spectra could identify seventeen intermediate products including iron-CIP complexes in PFP,and only seven intermediate products were found in the UV/TiO_2process with a majority of common products in both the processes.The proposed mechanism supported by the mass spectra bridged the routes of CIP cleavage in the PFP and UV/TiO_2process,and the decomposition pathway of Fe^(3+)-CIP chelate complexes in PFP was also elucidated.Both in PFP and UV/TiO_2processes,the target site of HO~·radical attack was the secondary-N atom present in the piperazine ring of the CIP molecule.The death of Escherichia coli bacteria was 55.7%and 66.8%in comparison to the control media after 45 min of treatment in PFP and UV/TiO_2process,respectively.

关键词： Advanced oxidation processes Antibiotic decomposition Iron chelation Antimicrobial activity

Hydrogen-based industry:a prospective transition pathway toward a low-carbon future

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National Science Review 2023年第9期10卷 13-15页

作者： Yunlv Cheng Renyang Zheng Zhicheng Liu Zaiku Xie China Petroleum & chemical Corporation State Key Laboratory of Green chemical Engineering and Industrial Catalysis SINOPEC Shanghai Research Institute of Petrochemical Technology

IMPORTANCE OF THE HYDROGEN-BASED INDUSTRY The process industry,a vital part of the national economy,is currently being challenged by excessive energy consumption and high CO2emissions.It is time to promote the transition to a greener and more sustainable pathway.Hydrogen,a widely used r aw materi al and flexible energy carrier,is expected to speed up the decarbonization of industry and transportation sectors.

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Surface Decontamination of chemical Agent Surrogates Using an Atmospheric Pressure Air Flow Plasma Jet

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Plasma Science and Technology 2013年第7期15卷 696-701页

作者：李战国李颖曹鹏赵红杰 research institute of chemical Defense

An atmospheric pressure dielectric barrier discharge （DBD） plasma jet generator using air flow as the feedstock gas was applied to decontaminate the chemical agent surrogates on the surface of aluminum, stainless steel or iron plate painted with alkyd or PVC. The experi- mental results of material decontamination show that the residual chemical agent on the material is lower than the permissible value of the National Military Standard of China. In order to test the corrosion effect of the plasma jet on different material surfaces in the decontamination pro-cess, corrosion tests for the materials of polymethyl methacrylate, neoprene, polyvinyl chloride （PVC）, polyethylene （PE）, phenolic resin, iron plate painted with alkyd, stainless steel, aluminum, etc. were carried out, and relevant parameters were examined, including etiolation index, chroma- tism, loss of gloss, corrosion form, etc. The results show that the plasma jet is slightly corrosive for part of the materials, but their performances are not affected. A portable calculator, computer display, mainboard, circuit board of radiogram, and a hygrometer could work normally after being treated by the plasma jet.

关键词： surface decontamination chemical agents atmospheric pressure plasma jet,dielectric barrier discharge （DBD） air flow dischargeDAF＇~. co ~ ＂

Molecular Simulations in Macromolecular Science

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Chinese Journal of Polymer Science 2023年第9期41卷 1361-1370,I0005页

作者： Duo Xu Hai-Xiao Wan Xue-Rong Yao Juan Li Li-Tang Yan State Key Laboratory of chemical Engineering Department of Chemical EngineeringTsinghua UniversityBeijing100084China Beijing research institute of chemical Industry SINOPECBeijing100013Chin

Molecular simulations are now an essential part of modern chemistry and physics,especially for the investigation of macromolecules.They have evolved into mature approaches that can be used effectively to understand the structure-to-property relationships of diverse macromolecular systems.In this article,we provide a tutorial on molecular simulations,focusing on the technical and practical aspects.Several prominent and classical simulation methods and software are introduced.The applications of molecular simulations in various directions of macromolecular science are thenfeatured by representative systems,including self-assembly,crystallization,chemical reaction,and some typical non-equilibrium systems.This tutorial paper provides a useful overview of molecular simulations in the rapid progress of macromolecular science,and suggests guidance for researchers who start exploiting molecular simulations in their study.

关键词： Molecular simulation Coarse-grained molecular dynamics Multi-scale method Polymer physics

Dynamic response surface methodology using Lasso regression for organic pharmaceutical synthesis

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Frontiers of chemical Science and Engineering 2022年第2期16卷 221-236页

作者： Yachao Dong Christos Georgakis Jacob Santos-Marques Jian Du institute of chemical Process Systems Engineering School of Chemical EngineeringDalian University of TechnologyDalian 116024China Department of chemical and Biological Engineering and Systems research institute Tufts UniversityMedfordMA 02155USA

To study the dynamic behavior of a process,time-resolved data are collected at different time instants during each of a series of experiments,which are usually designed with the design of experiments or the design of dynamic experiments methodologies.For utilizing such time-resolved data to model the dynamic behavior,dynamic response surface methodology(DRSM),a datadriven modeling method,has been proposed.Two approaches can be adopted in the estimation of the model parameters:stepwise regression,used in several of previous publications,and Lasso regression,which is newly incorporated in this paper for the estimation of DRSM models.Here,we show that both approaches yield similarly accurate models,while the computational time of Lasso is on average two magnitude smaller.Two case studies are performed to show the advantages of the proposed method.In the first case study,where the concentrations of different species are modeled directly,DRSM method provides more accurate models compared to the models in the literature.The second case study,where the reaction extents are modeled instead of the species concentrations,illustrates the versatility of the DRSM methodology.Therefore,DRSM with Lasso regression can provide faster and more accurate datadriven models for a variety of organic synthesis datasets.

关键词： data-driven modeling pharmaceutical organic synthesis Lasso regression dynamic response surface methodology

非线性Hammerstein系统的极点配置自校正控制及其pH过程控制应用（英文）

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Chinese Journal of chemical Engineering 2015年第8期23卷 1364-1368页

作者：邹志云赵丹丹刘兴红郭宇晴管臣冯文强郭宁 China research institute of chemical Defense

By taking advantage of the separation characteristics of nonlinear gain and dynamic sector inside a Hammerstein model, a novel pole placement self tuning control scheme for nonlinear Hammerstein system was put forward based on the linear system pole placement self tuning control algorithm. And the nonlinear Hammerstein system pole placement self tuning control(NL-PP-STC) algorithm was presented in detail. The identi fication ability of its parameter estimation algorithm of NL-PP-STC was analyzed, which was always identi fiable in closed loop. Two particular problems including the selection of poles and the on-line estimation of model parameters, which may be met in applications of NL-PP-STC to real process control, were discussed. The control simulation of a strong nonlinear p H neutralization process was carried out and good control performance was achieved.

关键词：非线性系统自校正控制实时过程控制极点配置 Hammerstein模型应用 pH 参数估计算法

Parallelized microfluidic droplet generators with improved ladder-tree distributors for production of monodisperseγ-Al_(2)O_(3)microspheres

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Particuology 2022年第3期20卷 47-54页

作者： Huilin Yi Shuliang Lu Jiajia Wu Yujun Wang Guangsheng Luo State Key Lab of chemical Engineering Department of Chemical EngineeringTsinghua UniversityBeijing 100084China Sinopec Beijing research institute of chemical Industry Beijing 100000China

In this paper,we present a parallelized microfluidic device with improved ladder-tree distributors for the scaled-up production of monodisperse microspheres.Owing to the improved distribution form comprising a ladder distributor in the center and tree distributors around the circumference,the uniformity of the generated droplets for our device was improved by 32.9%and 86.1%compared to those achieved in devices with conventional tree and ladder distributors,respectively,in the final production stage with 32 droplet generators,indicating the potential of our device for further scale-up while maintaining the monodispersity of the generated droplets.The effect of the 2D scale-up of our device was investigated by varying the continuous-phase flow rate and viscosity.Using our device,γ-Al_(2)O_(3)microspheres with a diameter of 598.1μm and a CV of 2.58%,as catalyst support for microreactors,were continuously synthesized at high production rate.The nickel-based catalyst prepared fromγ-Al_(2)O_(3)microspheres with large specific surface area and pore volume had an average NiO size of 14 nm,which was 60.9%of that supported on industrial support.The CO methanation conversion of the Ni@Al_(2)O_(3)microspheres was 1.7 times larger than Ni@Al_(2)O_(3)industrial support at 140℃.

关键词： Microfluidics Scale-up γ-Al_(2)O_(3)microspheres Methanation