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Effect of electrolytes on electrochemical properties of graphene sheet covered with polypyrrole thin layer

Progress in Natural science:materials International 2011年第6期21卷 460-466页

作者： Ya-meng CAI~(1,2),Zong-yi QIN~1,Long CHEN~2 1.State Key Laboratory for Modification of chemical Fibers and Polymer materials, Donghua university,Shanghai 201620,china 2.college of material science and engineering,Donghua university,Shanghai 201620,china State Key Laboratory for Modification of chemical Fibers and Polymer materials Donghua University Shanghai 201620 China college of material science and engineering Donghua University Shanghai 201620 China

Graphene sheet(GS) was successfully covered with a polypyrrole(PPy) thin layer through in situ chemical oxidative polymerization of pyrrole monomers in aqueous solution by using GS as a support material and ferric trichloride as an *** resulting nanocomposite was studied by field emission scanning electron microscopy(FE-SEM),Fourier transform infrared spectroscopy(FT-IR) and electrical measurements,including cyclic voltammetry(CV),galvanostatic charge/discharge experiment (GCD),and impedance spectroscopy(EIS).It has been found that the nanocomposite exhibited a typically curved and layer-like structure,and conformational change of PPy chains occurred due to the n-n stacking interaction between the graphitic structures in GS and aromatic rings of the PPy *** attention was paid to the effect of electrolytes on electrochemical properties of the nanocomposites,as expected,electrochemical performance was dependent on the nature of the electrolyte,and the neutral electrolytes containing alkali metal ions were found to be very suitable for GS/PPy *** with the pure PPy,the nanocomposite possessed larger specific capacitance and lower internal impedance,indicating that the nanocomposite can be a promising candidate as electrode material for supercapacitors.

关键词： nanocomposites graphene polypyrrole electrochemical property electrolyte

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Cellulose nanocrystals as green fillers to improve crystallization and hydrophilic property of poly(3-hydroxybutyrate-co-3-hydroxyvalerate)

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Progress in Natural science:materials International 2011年第6期21卷 478-484页

作者： Hou-yong YU~(1,2),Zong-yi QIN~1,Zhe ZHOU~2 1.State Key Laboratory for Modification of chemical Fibers and Polymer materials, Donghua university,Shanghai 201620,china 2.college of material science and engineering,Donghua university,Shanghai 201620,china State Key Laboratory for Modification of chemical Fibers and Polymer materials Donghua University Shanghai 201620 China college of material science and engineering Donghua University Shanghai 201620 China

The green nanocomposites of poly(3-hydroxybutyrate-co-3-hydroxyvalerate)(PHBV) with various cellulose nanocrystals (CNCs) contents were prepared by solution casting *** effects of CNCs on the crystallization behavior,spherulitic morphology,crystal structure and hydrophilic property of PHBV were studied by differential scanning calorimeter(DSC),polarized optical microscope(POM),wide-angle X-ray diffraction(WAXD) and static water contact angle *** is found that the CNCs act as an effective nucleation agent for crystallization of PHBV,inducing an increase in the melt crystallization temperature of the nanocomposites.A study of the non-isothermal crystallization kinetics further illustrated that overall crystallization rate of PHBV in the nanocomposites was faster than that of neat PHBV,but exhibited a decrease in the crystallinity and the spherulite size of PHBV. Furthermore,the contact angle decreased from 60.1°for neat PHBV to 32.5°for the nanocomposites with 10%CNCs(mass fraction).

关键词： nanocomposites poly(3-hydroxybutyrate-co-3-hydroxyvalerate) cellulose nanocrystals crystallization behavior hydrophilic property

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Role of Friction in Cold Ring Rolling

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Journal of materials science & Technology 2005年第6期21卷 914-920页

作者： He YANG+, Lianggang GUO and Mei ZHAN college of materials science and engineering, Northwestern Polytechnical university, Xi’an 710072, china college of materials science and engineering Northwestern Polytechnical University Xi'an 710072 China

Cold ring rolling is an advanced but complex metal forming process under coupled effects with multi-factors, such as geometry sizes of rolls and ring blank, material, forming process parameters and friction, etc. Among these factors, friction between rolls and ring blank plays an important role in keeping the stable forming of cold ring rolling. An analytical method was firstly presented for proximately determining the critical friction coefficient of stable forming and then a method was proposed to determine the critical friction coefficient by combining analytical method with numerical simulation. And the influence of friction coefficient on the quality of end-plane and side spread of ring,rolling force, rolling moment and metal flow characteristic in the cold ring rolling process have been explored using the three dimensional （3D） numerical simulation based on the elastic-plastic dynamic finite element method （FEM） under the ABAQUS software environment, and the results show that increasing the friction on the contact surfaces between rolls and ring blank is useful not only for improving the stability of cold ring rolling but also for improving the geometry and dimension precision of deformed ring.

关键词： Cold ring rolling Friction Elastic-plastic dynamic explicit FEM ABAQUS

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Photocatalytic degradation kinetics of Rhodamine B cata- lyzed by nanosized TiO_2 film

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Chinese science Bulletin 2003年第1期48卷 49-52页

作者： WEI Gang, ZHANG Yuanjing & XIONG Rongchun college of material science and engineering, Beijing university of chemical Technology, Beijing 100029, china Correspondence should be addressed to Xiong Rongchun (e-mail: xiongrongchun@***) college of material science and engineering Beijing University of Chemical Technology Beijing 100029 China

A fixed bed photocatalytic reactor was de-signed, and dynamic fast scan of UV-Vis adsorption spec-trum was adopted to study the photocatalytic degradation dynamic behavior of Rhodamine B, a kind of dye generally recognized as to be degraded difficultly, on the surface of nanosized TiO2 thin film. The results indicate that the photocatalytic degradation process of Rhodamine B does not comply with the first-order reaction kinetic process. As a result, a kinetic model of Rhodamine B photocatalytic deg-radation reaction is brought forward, and the model is proved by the theoretical deduction and experiment.

关键词：若丹明B 光催化降解动力学含染料废水固定床光催化反应器纳米级二氧化钛薄膜 TiO2

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Size-controlled and large-scale synthesis of organic-soluble Ag nanocrystals in water and their formation mechanism

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Progress in Natural science:materials International 2011年第6期21卷 447-454页

作者： Yu-yuan SHI,Bin SUN,Zhe ZHOU,Yong-tao WU,Mei-fang ZHU State Key Laboratory for Modification of chemical Fibers and Polymer materials, college of material science and engineering,Donghua university,Shanghai 201620,china State Key Laboratory for Modification of chemical Fibers State Key Laboratory for Modification of Polymer Materials College of Material Science Donghua University College of Engineering Donghua University

Organic-soluble Ag nanocrystals(NCs) with tunable sizes in the range from 5.4 to 22.1 nm were synthesized by a facile, reproducible and easily scaled up route using water as solvent in the presence of oleic acid and an *** synthetic Ag NCs exhibits excellent hydrophobicity and can be well re-dispersed in various non- or weak-polar *** tunable sizes of the Ag NCs were achieved by simply adjusting the initial precursor ***-scale synthesis of the Ag NCs was realized at a high AgNO3concentration(0.4 mol/L).As much as 16.2 g highly uniform organic-soluble Ag NCs with 5 nm average diameter can be readily synthesized at low cost in a single reaction only using 400 mL water as solvent,which is adaptable to the industrial scale *** structure of the obtained Ag NCs was investigated in detail by X-ray diffractometry,transmission electron microscopy,Fourier transform infrared and thermal gravimetric analysis *** results reveal that the surface of the organic-soluble Ag NCs is coated with the monolayer surfactants consisting of oleic acid and the *** addition,on the basis of the sufficient evidences,a proposed mechanism based on the "bilayer surfactant-controlled reaction" successfully demonstrates the formation of high quality organic-soluble Ag NCs in the aqueous solution.

关键词： organic-soluble Ag nanocrystals large-scale size-controlled synthesis formation mechanism

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Support vector machine for SAR/QSAR of phenethyl-amines

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Acta Pharmacologica Sinica 2007年第7期28卷 1075-1086页

作者： Bing NIU~2,Wen-cong LU~(2,3,6),Shan-sheng YANG~2,Yu-dong CAI~(3,4,6),Guo-zheng LI~5 ~2 college of material science and engineering,Shanghai university,Shanghai 200444,china ~3 Laboratory of chemical Data Mining,Department of Chemistry,college of sciences,Shanghai university,Shanghai 200444,china ~4 Department of Combinatorics and Geometry,CAS-MPG Partner Institute for Computational Biology,Shanghai Institutes for Biological sciences,Chinese Academy of sciences,Shanghai200031,china ~5 School of Computer science and engineering,Shanghai university,Shanghai 200072,china college of material science and engineering Shanghai University Shanghai China Department of Chemistry Laboratory of Chemical Data Mining College of Sciences Shanghai University Shanghai China Department of Combinatorics and Geometry CAS-MPG Partner Institute for Computational Biology Shanghai Institutes for Biological Sciences Chinese Academy of Sciences Shanghai China School of Computer science and engineering Shanghai Univeristy Shanghai China

Aim:To discriminate 32 phenethyl-amines between antagonists and agonists,and predict the activities of these ***:The support vectormachine (SVM) is employed to investigate the structure-activity relationship(SAR)/quantitative structure-activity relationship (QSAR) of phenethyl-aminesbased on molecular ***:By using the leave-one-out cross-vali-dation (LOOCV) test,1 optimal SAR and 2 optimal QSAR models for agonists andantagonists were *** accuracy of prediction for the classification ofphenethyl-amines by using the LOOCV test is 91.67%,and the accuracy of predic-tion for the classification of phenethyl-amines by using the independent test is100%;the results are better than those of the Fisher,the artificial neural network(ANN),and the K-nearest neighbor models for this real world *** RMSE(root mean square error)of antagonists' QSAR model is 0.5881,and the RMSE ofagonists' QSAR model is 0.4779,which are better than those of the multiple linearregression,partial least squares,and ANN models for this real world ***:The SVM can be used to investigate the SAR and QSAR of phenethyl-amines and could be a promising tool in the field of SAR/QSAR research.

关键词： support vector machine QSAR phenethylamines antagonists agonists

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Vertical ionization energies of halogen anions in solution

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science china Chemistry 2010年第6期53卷 1316-1321页

作者： CHENG XueMin,ZHU Quan,WANG XingJian,LI YunKui & LI XiangYuan college of chemical engineering,Sichuan university,Chengdu 610065,china college of chemical engineering Sichuan University Chengdu China

Based on the constrained equilibrium state theory,the nonequilibrium solvation energy is derived in the framework of the continuum *** formula for spectral shift and vertical ionization energy are deduced for a single sphere cavity with the point charge *** new model is adopted to investigate the vertical ionization for halogen atomic and molecular anions X(X = Cl,Br,I,Cl2,Br2,I2) in aqueous *** to the calculation using the CCSD-t/aug-cc-pVQZ method in vacuum,our final estimated vertical ionization energies in solution are very close to the experimental observations,while the traditional nonequilibrium solvation theory overestimates these vertical ionization energies.

关键词： vertical ionization energy spectral shift constrained equilibrium state

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Online diagnosis of electron excitation temperature in CH_4+H_2 discharge plasma at atmospheric pressure by optical emission spectra

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science china(Physics,Mechanics & Astronomy) 2008年第12期51卷 1892-1896页

作者： CUI JinHua1, XU ZhenFeng2, ZHANG JiaLiang3↑, NIE QiuYue3, XU GenHui4 & REN LongLiang5 1 Faculty of Chemistry and chemical engineering, Liaoning Normal university, Dalian 116021, china 2 Technique Center for Modern Education, Liaodong college, Dandong 126709, china 3 State Key Laboratory for materials Modification by Laser, Ion and Electron Beams, Dalian university of Technology, Dalian 116023, china 4 college of chemical engineering, Tianjin university, Tianjin 300072, china 5 Department of Physics, science college, Tianjin university, Tianjin 300072, china Faculty of Chemistry and chemical engineering Liaoning Normal University Dalian China Technique Center for Modern Education Liaodong College Dandong China State Key Laboratory for materials Modification by Laser Ion and Electron Beams Dalian University of Technology Dalian China college of chemical engineering Tianjin University Tianjin China Department of Physics Science College Tianjin University Tianjin China

Methane coupling under low temperature plasmas at atmospheric pressure is a green process by use of renewable sources of energy. In this study, CH4+H2 dis- charge plasma was on-line diagnosed by optical emission spectra so as to char- acterize the discharge system and to do spade work for the optimization of the technical parameters for future commercial production of methane coupling under plasmas. The study was focused on a calculation method for the online diagnosis of the electron excitation temperature in CH4+H2 discharge plasma at atmospheric pressure. The diagnostic method is easy, efficient and fairly precise. A serious er- ror in a literature was corrected during the reasoning of its series of equations formerly used to calculate electron temperatures in plasmas.

关键词： low temperature plasma electron excitation temperature optical emission spectrum online diagnosis

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On the intergranular fracture behavior of high-temperature plastic deformation of 1420 Al-Li alloy

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Rare Metals 2002年第1期21卷 67-73页

作者： TANGAitao WANGLingyun LIUXuefeng HUANGGuangjie collegeofmaterialscienceandengineering ChongqingUniversityChongqing400044China DepartmentofMetallicmaterials SichuanUniversityChengdu610065China

The tensile deformation hot simulation test of as-cast 1420 Al-Li alloy was performed on Gleeble-1500 Thermal Simulator in the deformation temperature range from 350 to 450 ℃ and the strain rate range from 0.01 to *** tensile fracture behavior of the 1420 Al-Li alloy at high temperature was studied experimently. The results show that the tensile fracture mode of the 1420 Al-Li alloy at high temperature is changed from typical transgranular ductile fracture to intergranular brittle fracture with the increase of the deformation temperature and the strain rate. It is made out that the precipitation of LiH is the fundamental reason for the intergranular brittle fracture of the 1420 Al-Li alloy at high temperature. The mechanism of hydrogen embrittlement of the 1420 Al-Li alloy at high temperature was discussed, and it was proposed that the hydrogen embrittlement at high temperature is an integrated function of the dynamic and the static force, which enrichs the theories of hydrogen embrittlemen t.

关键词： Al-Li alloy high-temperature plastic deformation hydrogen embrittlement intergranular fracture

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Biogas recovery from microwave heated sludge by anaerobic digestion

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science china(Technological sciences) 2010年第1期53卷 144-149页

作者： QIAO Wei1,WANG Wei2,ZHU CuiPing3 & ZHANG ZhongZhi1 1 college of chemical science and engineering,china university of Petroleum,Beijing 102249,china 2 Department of Environmental science and engineering,Tsinghua university,Beijing 10084,china 3 J & K china Cleaning Energy Technology Co.Ltd.,Beijing 100085,china college of chemical science and engineering China University of Petroleum Beijing China Department of Environmental science and engineering Tsinghua University Beijing China J & K china Cleaning Energy Technology Co. Ltd. Beijing China

Biogas generated from sewage sludge,livestock waste,and food waste by anaerobic digestion is a valuable renewable energy ***,conventional anaerobic digestion is not an efficient process.A long hydraulic retention time and low biogas recovery rate hinder the applications of those *** effective pretreatment method to destroy sludge microbial cells has been one of the major concerns regarding improvement of the biogas *** article focuses on the effects of microwave heating on sludge anaerobic *** suspended solid(VSS) and chemical organic demand solubilization of heated sludge were *** heating was found to be a rapid and efficient process for releasing organic substrates from *** increase of organic dissolution ratio was not obvious when holding time was over 5 min with microwave *** effect of the VSS solubilization was primarily dependent on heating *** highest value of VSS dissolving ratio,36.4%,was obtained at 170°C for 30 *** COD dissolving ratio was about 25% at 170°*** organic carbon of treated sludge liquor was 1.98 and 2.73 g/L at 150°C and 170°C for 5 min,respectively.A biochemical methane potential(BMP) test of excess sludge and a mixture of primary and excess sludge demonstrated an increase in biogas *** total biogas from microwave treated mixture sludge increased by 12.9% to 20.2% over control after 30 days of *** production was 11.1% to 25.9% higher for excess sludge than for untreated *** VS removal ratios of mixture sludge and excess sludge were 12% and 11% higher,respectively,compared to the untreated sludge.

关键词： biogas recovery microwave heating sludge anaerobic digestion

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