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Articles 1981 - 2010 of 3581

Full-Text Articles in Chemistry

Basic Principles And Applications Of Secm In Metal Corrosion, Fa-He Cao, Yan Xia, Wen-Juan Liu, Lin-Rong Chang, Jian-Qing Zhang Oct 2013

Basic Principles And Applications Of Secm In Metal Corrosion, Fa-He Cao, Yan Xia, Wen-Juan Liu, Lin-Rong Chang, Jian-Qing Zhang

Journal of Electrochemistry

Scanning electrochemical microscopy (SECM) is chemical microscopy with higher spatial resolution. After 24 years of development, SECM has been widely applied in mapping and kinetics study of heterogeneous electron transfer in localized processes at solid-liquid or liquid-liquid interfaces. The fundamentals and recent advances of SECM in corrosion applications are described, including SECM mapping and kinetics on localized corrosion of metal or coating. Research work of SECM in corrosion by our group is also introduced. Future applications of SECM in corrosion are highlighted.

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Applications Of Spectroscopic Ellipsometry In Corrosion Investigation, Ling-Jie Li, Yu-Ling He, Jing-Lei Lei, Sheng Tao Zhang Oct 2013

Applications Of Spectroscopic Ellipsometry In Corrosion Investigation, Ling-Jie Li, Yu-Ling He, Jing-Lei Lei, Sheng Tao Zhang

Journal of Electrochemistry

As a highly-sensitive and non-destructive in situ technique, spectroscopic ellipsometry has been widely applied in corrosion investigation to acquire the dynamic information of the “electrode-medium” interface during corrosion. This paper lays out some representative demonstrations in several established optical models used to interpret data obtained with spectroscopic ellipsometry in corrosion investigation. In addition, the latest trends in development of this technique are analyzed.

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An Investigation Of Thin Films Formed On Zinc By Spectroscopic Ellipsometry, Juan Zuo, Ying Chen, Chang-Jian Lin, Andreas Erbe Oct 2013

An Investigation Of Thin Films Formed On Zinc By Spectroscopic Ellipsometry, Juan Zuo, Ying Chen, Chang-Jian Lin, Andreas Erbe

Journal of Electrochemistry

The formation of natural oxide films on polycrystalline zinc surface, the growth of natural oxide films in different atmospheres, as well as the electrochemical process of metal zinc in alkaline carbonate solution, studied recently by using spectroscopic ellipsometry in our group, are introduced. The objective of this paper is to outline that the optical, electrical properties, the change and growth kinetics of zinc metal oxide film on the surface can be investigated by in-situ and ex-situ ellipsometry, which makes significant sense to evaluate the overall performance of zinc oxide layer.

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Corrosion Behavior Of A High Strength Low Alloy Steel Under Hydrostatic Pressure In Deep Ocean, Hai-Jing Sun, Li Liu, Ying Li Oct 2013

Corrosion Behavior Of A High Strength Low Alloy Steel Under Hydrostatic Pressure In Deep Ocean, Hai-Jing Sun, Li Liu, Ying Li

Journal of Electrochemistry

The corrosion behavior of a high strength low alloy steel (HSLA steel) in 3.5% NaCl solution under hydrostatic pressure (HP) in deep ocean has been investigated by performing weight loss measurement, obtaining potentiodynamic polarization curve and emplying electrochemical impedance spectroscopy (EIS) using the set up for simulation of deep sea environment in laboratory. The results were compared with that at atmospheric pressure and the influence of HP was emphatically discussed. The results revealed identical corrosion mechanism for HSLA steel at 3.5 × 106 Pa and 1 × 105 Pa. Howevere, the development of such a corrosion process was …

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Corrosion Resistance Of Low Pressure Cold Sprayed Al Coating On Q235 Steel In Seawater, Xiang-Bo Li, Li-Kun Xu, Shan-Guang Qiu, Jia Wang, Guo-Sheng Huang, Cai-Chang Dong Oct 2013

Corrosion Resistance Of Low Pressure Cold Sprayed Al Coating On Q235 Steel In Seawater, Xiang-Bo Li, Li-Kun Xu, Shan-Guang Qiu, Jia Wang, Guo-Sheng Huang, Cai-Chang Dong

Journal of Electrochemistry

Taking aluminium (Al) powder mixed with 10% (by volume) of Al2O3 powder as raw materials, the Al coating was prepared on the Q235 carbon steel substrate using a portable low pressure cold spraying equipment. Through the measurements of the corrosion potential and potentiodynamic polarization, the electrochemical corrosion behavior of the low pressure cold sprayed Al coating in seawater was studied in comparison with those of the Al coatings deposited with high pressure cold spray and thermal spray processes. At the same time, the surface and cross-section morphologies of these coatings were observed with scanning electron microscope. The …

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Corrosion Behavior Of Zinc Covered With Thin Electrolyte Layers Under External Electric Field, Xu-Jie Yuan, Jun-Xi Zhang, Shi-Ming Zhang, Tian Tan, Qi-Meng Chen Oct 2013

Corrosion Behavior Of Zinc Covered With Thin Electrolyte Layers Under External Electric Field, Xu-Jie Yuan, Jun-Xi Zhang, Shi-Ming Zhang, Tian Tan, Qi-Meng Chen

Journal of Electrochemistry

The corrosion behavior of zinc covered with thin electrolyte layers (TELs) under an application of external electric field was investigated by performing corrosion potential and cathodic polarization current measurements. The results showed that the Ecorr and ic values first increased and then decreased with the increase of electrolyte layer thickness. Pure zinc exhibited the maximum corrosion potential as the TELs increased to 400 μm under the controls of cathodic process and corrosion products. The application of external electric field resulted in either a negative shift in corrosion potential of zinc or an increase of cathodic current. The effect of external …

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Syntheses And Structures Of Iron(Ii) And Cobalt(Ii) Complexes Of Substituted Tetra(Pyrazolyl)Lutidine Derivatives, Heidi Marie Tatlock Oct 2013

Syntheses And Structures Of Iron(Ii) And Cobalt(Ii) Complexes Of Substituted Tetra(Pyrazolyl)Lutidine Derivatives, Heidi Marie Tatlock

Master's Theses (2009 -)

Pentadentate ligands provide stability to metal complexes as well as a binding site for substrates that make them exceptionally useful for studying reactions. They have been used in biomimetic studies, water splitting, and small molecule activation studies. A series of six pentadentate ligands derived from a,a,a',a'-tetra(pyrazolyl)lutidine, pz4lut, with methyl substituents decorating the ligand periphery has been synthesized. These ligands were coordinated to FeIICl, and the electronic and structural properties of the resulting complexes were studied in order to deduce the effects of methyl substitution at the 3-, 4-, and 5-positions of the pyrazolyl groups and at the methine positions. When …

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On The Origin Of Mode- And Bond-Selectivity In Vibrationally Mediated Reactions On Surfaces, Daniel Killelea, Arthur L. Utz Oct 2013

On The Origin Of Mode- And Bond-Selectivity In Vibrationally Mediated Reactions On Surfaces, Daniel Killelea, Arthur L. Utz

Chemistry: Faculty Publications and Other Works

The experimental observations of vibrational mode- and bond-selective chemistry at the gas–surface interface indicate that energy redistribution within the reaction complex is not statistical on the timescale of reaction. Such behavior is a key prerequisite for efforts to use selective vibrational excitation to control chemistry at the technologically important gas–surface interface. This paper outlines a framework for understanding the origin of non-statistical reactivity on surfaces. The model focuses on the kinetic competition between intramolecular vibrational energy redistribution (IVR) within the reaction complex, which in the long-time limit leads to statistical behavior, and quenching, scattering, or desorption processes that restrict the …

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Short, Strong Halogen Bonding In Co-Crystals Of Pyridyl Bis-Urea Macrocycles And Iodoperfluorocarbons, Michael F. Geer, James Mazzuca, Mark D. Smith, Linda S. Shimizu Sep 2013

Short, Strong Halogen Bonding In Co-Crystals Of Pyridyl Bis-Urea Macrocycles And Iodoperfluorocarbons, Michael F. Geer, James Mazzuca, Mark D. Smith, Linda S. Shimizu

Faculty Publications

No abstract provided.

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Structure, Theoretical Studies And Coupling Reactions Of Some New Cyclic Boronic Esters, Andrew Kuttler, Sravanthi Durganala, Albert Fratini, Alexander Morgan, Vladimir Benin Sep 2013

Structure, Theoretical Studies And Coupling Reactions Of Some New Cyclic Boronic Esters, Andrew Kuttler, Sravanthi Durganala, Albert Fratini, Alexander Morgan, Vladimir Benin

Chemistry Faculty Publications

The present report describes the X-ray structural and theoretical studies of some new pinacolboronate esters, and it also outlines the use of the target structures in Suzuki coupling reactions to produce new aromatic or heteroaromatic esters and amides. X-ray structural analysis of the studied compounds revealed that the pinacolborane ring's position with respect to the benzene ring varies, depending on the particular environment. An ortho-positioned carboxylic ester (methyl ester) causes a nearly perpendicular orientation of the pinacolborane unit with respect to the benzene ring, whereas an ortho-positioned amide (N,N-dimethylamide) causes the pinacolborane unit to orient itself nearly coplanar. A plausible …

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Electrosynthesis Of Glycerol Carbonate From Co2 And Glycerol, Huan Wang, Mei-Xia Zhu, La-Xia Wu, Xiao-Ming Xu, Xue-Ru Zhao, Jia-Xing Lu Aug 2013

Electrosynthesis Of Glycerol Carbonate From Co2 And Glycerol, Huan Wang, Mei-Xia Zhu, La-Xia Wu, Xiao-Ming Xu, Xue-Ru Zhao, Jia-Xing Lu

Journal of Electrochemistry

Glycerol carbonate was obtained from glycerol and carbon dioxide under room temperature and normal pressure by electrochemical method. The effects of synthesis conditions, such as cathode, charge, current density and temperature, on the reaction of glycerol and carbon dioxide have been investigated. The yields of 73% were produced by electrosynthesis of carbonate under the optimized condition, which is much higher than that by common catalysis method. The electrochemical behavior of the reaction system has been studied by cyclic voltammetry, through which the reaction process has been proposed.

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Influence Of Pretreatment On Electrocatalytic Property For Methanol Oxidation Of Ptru/Wc, Xiao-Ling Lang, Mei-Qin Shi, Ye-Kun Jiang, Chun-An Ma Aug 2013

Influence Of Pretreatment On Electrocatalytic Property For Methanol Oxidation Of Ptru/Wc, Xiao-Ling Lang, Mei-Qin Shi, Ye-Kun Jiang, Chun-An Ma

Journal of Electrochemistry

The surface of tungsten carbide (WC) was treated by potassium hydroxide (KOH) at different pH values for different time. The PtRu/WC composite was prepared by microwave-assisted polyol method. The phase structure of PtRu/WC composites were characterized by XRD. The electrocatalytic activity was tested by cyclic voltammetry and chronoamperometry. The results indicated that with different pH treatments WC became more readily supported on PtRu. When treating WC in KOH at pH = 14, PtRu exhibited the best degree of crystallinity on WC surface, leading to the highest electrocatalytic activity of PtRu/WC. Moreover, the optimized activity of PtRu/WC towards methanol oxidation was …

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Synthesis And Electrochemical Properties Of Li(Ni0.5Co0.2Mn0.3)1-2xTiXNbXO2, Yong Tang, Qin-Lin Liao, Xiang-An Guo Aug 2013

Synthesis And Electrochemical Properties Of Li(Ni0.5Co0.2Mn0.3)1-2xTiXNbXO2, Yong Tang, Qin-Lin Liao, Xiang-An Guo

Journal of Electrochemistry

The cathode-active materials of layered Li(Ni0.5Co0.2Mn0.3)1-2xTixNbxO2（x=0, 0.002, 0.005, 0.01, 0.02）composites were synthesized by the thermal treatment of the coprecipitated precursor at 900 oC in air. The effects of Ti-Nb co-dopants on the structural and electrochemical properties of Li(Ni0.5Co0.2Mn0.3)O2 were characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM) and electrochemical experiments. The results show that the small amounts of Ti-Nb co-dopants in Li(Ni0.5Co0.2Mn0.3)O2significantly decreased the degree of cation mixing in …

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Effects Of Fluoroethylene Carbonate Additive On Low Temperature Performance Of Li-Ion Batteries, Feng-Ju Bian, Zhong-Ru Zhang, Yong Yang Aug 2013

Effects Of Fluoroethylene Carbonate Additive On Low Temperature Performance Of Li-Ion Batteries, Feng-Ju Bian, Zhong-Ru Zhang, Yong Yang

Journal of Electrochemistry

The effects of fluoroethylene carbonate (FEC) on the low temperature performance of lithium ion phosphate full battery are evaluated by different techniques. By addition of 5 wt% FEC into a commercial electrolyte, effective solid electrolyte interface (SEI) film can be formed on the graphite electrodes, the discharge capacity retention at -40 oC was increased from 31.7% to 43.7%, and the discharge voltage plateau of the cell is raised. This is attributed to a reduced charge transfer resistance and a lowered polarization on the graphite electrode by electrochemical impedance spectroscopy (EIS) and reference electrode test.

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Research Progress Of Intermediate Layers In Ti-Based Oxide Anodes, Xiu-Li Song, Hui-Min Yang, Zhen-Hai Liang Aug 2013

Research Progress Of Intermediate Layers In Ti-Based Oxide Anodes, Xiu-Li Song, Hui-Min Yang, Zhen-Hai Liang

Journal of Electrochemistry

Titanium (Ti)-based oxide anodes are excellent anode materials which have been applied widely in electrochemical fields all over the world. Adding intermediate layers in Ti-based oxide anodes can improve the conductivity, lengthen the lifetime and strengthen the stability between Ti base and metal oxides active layers of electrodes. This article reviews the research progress of intermediate layers in Ti-based oxide anodes. At the same time, current problems existed in the field of Ti-based oxide anodes are pointed out and future development trend in oxide electrode with intermediate layers is prospected.

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Advanced Treatment Of Dyeing Wastewater For Reuse By Electrochemical Oxidation, Fei-Xiang Chen, Chu-Yin Yang, Ming-Ming Zhou, Jia-De Wang Aug 2013

Advanced Treatment Of Dyeing Wastewater For Reuse By Electrochemical Oxidation, Fei-Xiang Chen, Chu-Yin Yang, Ming-Ming Zhou, Jia-De Wang

Journal of Electrochemistry

In response to the characteristics of dye wastewater, the electrochemical oxidation of effluents from the biochemical process of dyeing wastewater was studied in the electrochemical reactor using PbO2/Ti electrode as the anode and stainless steel plate as the cathode. The results revealed that the electrochemical oxidation could simultaneously remove the Chemical Oxygen Demand (COD), ammonia and chromaticity. At the residence time of 60 min and current density of 10 mA·cm-2, the COD, ammonia, chromaticity, concentration of chloride ion and pH values could meet the water standards for “the reuse of urban recycling water-water quality standard for …

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Voltage Reversal Behavior In Microbial-Anode Fuel Cells, En-Ren Zhang, Jun-Le Niu, Lei Liu, Guo-Wang Diao Aug 2013

Voltage Reversal Behavior In Microbial-Anode Fuel Cells, En-Ren Zhang, Jun-Le Niu, Lei Liu, Guo-Wang Diao

Journal of Electrochemistry

Voltage reversal behavior was investigated in microbial-anode fuel cells (MFCs). Electricity-producing biofilms were developed on the surface of anodes in MFCs inoculated with mixed inoculum from activated sludge. MFC duplicates generally exhibited different performances with respect to the internal resistance, the voltage output and the discharging duration when operating in batch mode. Voltage reversal was observed to occur first in the MFC with lower performance when connecting MFCs in series. Analysis of electrode potentials indicated that the potentials of microbial anodes quickly shifted to more positive values when enhancing discharge current, resulting in voltage reversal in MFCs. Increasing temperature would …

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Using Hydrolyzed Sludge Liquor As The Substrate Of Microbial Fuel Cell, Peng Liang, Chao Guo, Xia Huang Aug 2013

Using Hydrolyzed Sludge Liquor As The Substrate Of Microbial Fuel Cell, Peng Liang, Chao Guo, Xia Huang

Journal of Electrochemistry

Hydrolyzed sludge liquor was used as the substrate of microbial fuel cell. When the thermal treatment time increased from 2 h to 96 h, pH varied little between 7.4 and 8.0. When the treatment time increased, the conductivity, COD and alkaline condition increased to 2.53 mS·cm-1, 2520 mg·L-1 and 800 mg·L-1, respectively. Meanwhile, the power density increased to 25 W·m-3. The COD removal increased firstly, then decreased, and finally reached the maximum of 47% at the hydrolyzed time of 6 h. The maximal coulombic efficiency was 71% when the treatment time was 4 …

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Electrochemically Switched Ion Exchange Properties Of Pani-Snp Composite Films In Wastewater Containing Ni2+ And Cd2+, Yan-Ting Feng, Jun-Qiang Xiao, Xiao-Gang Hao, Xu-Li Ma, Zhong-De Wang, Nian-Chen Han Aug 2013

Electrochemically Switched Ion Exchange Properties Of Pani-Snp Composite Films In Wastewater Containing Ni2+ And Cd2+, Yan-Ting Feng, Jun-Qiang Xiao, Xiao-Gang Hao, Xu-Li Ma, Zhong-De Wang, Nian-Chen Han

Journal of Electrochemistry

Electroactive PANI-SnP composite films were prepared by drop-coating method on Pt electrodes and investigated as electrochemically switched ion exchange (ESIX) materials for the separation of Cd2+ from aqueous solutions. The composition and morphology of the composite film were characterized by Fourier transform infrared spectrometer (FTIR) and scanning electron microscope (SEM). In solutions containing 0.1 mol·L-1 Ni(NO3)2 and Cd(NO3)2, cyclic voltammetry (CV) and electrochemical quartz crystal microbalance (EQCM) were used to investigate the electrochemical behavior and ion-exchange mechanism of PANI-SnP composite film. The elementary composition of PANI-SnP composite films in both oxidation …

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Graphene Quantum Dots Enhanced Electrochemical Performance Of Polypyrrole As Supercapacitor Electrode, Kun Wu, Si-Zhe Xu, Xue-Jiao Zhou, Hai-Xia Wu Aug 2013

Graphene Quantum Dots Enhanced Electrochemical Performance Of Polypyrrole As Supercapacitor Electrode, Kun Wu, Si-Zhe Xu, Xue-Jiao Zhou, Hai-Xia Wu

Journal of Electrochemistry

With an objective to develop electrode materials with high specific capacitance and good stability, a completely new nanocomposite of Polypyrrole (PPY) and graphene quantum dots (GQD) was successfully obtained through in-situ polymerization of pyrrole in the presence of GQD suspension. The obtained composites with different mass ratios were characterized by X-Ray diffraction (XRD), Fourier transformed infrared spectroscopy (FT-IR) and scanning electron microscopy (SEM). GQD enhanced electrochemical performance of PPY and, as supercapacitor electrodes, the PPY/GQD composites with the mass ratio of PPY to GQD at 50:1 showed a competitive specific capacitance of 485 F·g-1 at a scan rate of …

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Electrocatalytic Oxidation Degradation Kinetics Of Oxalic Acid In A Cylindrical Electrochemical Reactor With Ti/Iro2-Ta2O5 Anode, Jing Su, Hai-Bo Lin, Hong Xu, Wei-Min Huang, Ya-Peng He Aug 2013

Electrocatalytic Oxidation Degradation Kinetics Of Oxalic Acid In A Cylindrical Electrochemical Reactor With Ti/Iro2-Ta2O5 Anode, Jing Su, Hai-Bo Lin, Hong Xu, Wei-Min Huang, Ya-Peng He

Journal of Electrochemistry

The electrocatalytic oxidation degradation kinetics of oxalic acid in a cylindrical electrochemical reactor with Ti/IrO2-Ta2O5  as an anode was studied. The relation between instantaneous current efficiency and organic concentration in bulk was established based on the two paths for direct electrochemical oxidations, and the theoretical model was verified by experiments. The experimental resultswere reasonably consistent with the established kinetic model. Furthermore, the competition between the two paths was explored with the modelparameter analysis.

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Performance Of The Electro-Oxidation And Electro-Fenton Processes With A Bdd Anode For The Treatment Of Low Contents Of Pharmaceuticals In A Real Water Matrix, Sirs Ignasi, Antonio Garrido Jos, Brillas Enric Aug 2013

Performance Of The Electro-Oxidation And Electro-Fenton Processes With A Bdd Anode For The Treatment Of Low Contents Of Pharmaceuticals In A Real Water Matrix, Sirs Ignasi, Antonio Garrido Jos, Brillas Enric

Journal of Electrochemistry

Here, we report the performance of electro-oxidation and electro-Fenton with a boron-doped diamond (BDD) anode for the treatment of single and multicomponent solutions containing small amounts of pharmaceutical residues (i.e., 1 mg·L-1 paracetamol and/or 1 mg·L-1 salicylic acid) spiked into a real water matrix at pH 3.0. Electro-oxidation was performed in a BDD/Pt cell, whereas electro-Fenton was carried out in a BDD/air-diffusion cell to electrogenerate H2O2 at the cathode, always operating at constant current density. It was found that the decay of both pharmaceuticals by electro-oxidation was more rapid in the real water matrix than …

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Electrochemical Treatment Of Heavy Metals With Self-Electricity Generation, Wei Xu, Hui-Min Zhang, Zu-Cheng Wu Aug 2013

Electrochemical Treatment Of Heavy Metals With Self-Electricity Generation, Wei Xu, Hui-Min Zhang, Zu-Cheng Wu

Journal of Electrochemistry

Heavy metal pollution is among the most serious environmental problems. Electrochemical method possesses many advantages like speediness and high efficiency, which develops rapidly. This review describes the aspect and application of heavy metals with self-electricity generation according to the primary batteries and fuel cells. Some examples to reduce heavy metal ions in the cathode are introduced. Applicability of this technology for removing heavy metals is also discussed. Employing electrochemical technology to treat contaminants with self-energy generation instead of exhausting energy will have a good prospect.

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Electrochemical Behavior And Content Determination Of Paeonol At Poly Sudan Ⅲ Modified Electrode, Yan-Jie Zheng, Ai-Lin Liu, Yun Lei, Xin-Hua Lin Aug 2013

Electrochemical Behavior And Content Determination Of Paeonol At Poly Sudan Ⅲ Modified Electrode, Yan-Jie Zheng, Ai-Lin Liu, Yun Lei, Xin-Hua Lin

Journal of Electrochemistry

The poly SudanⅢ modified electrode was characterized by electrochemical impedance spectroscopy（EIS）and cyclic voltammetry (CV), while the electrochemical behavior of paeonol was studied by cyclic voltammetry (CV). The result shows that the poly Sudan Ⅲ modified electrode exhibits excellent electrocatalytic effect on the oxidation of paeonol. The peak currents of differential pulse voltammetry are linear to the paeonol concentrations over the range of 3.0*10-7 ~ 2.2*10-5 mol·L-1. The detection limit has been estimated to be 5.0*10-8 mol·L-1. This method can be used for determination of paeonol content in real sample with satisfactory results.

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Use Of Thermodynamic Models For Optimizing Fuel Treatment Processes, Shawn Pj Kirby, Andrew Guenthner Aug 2013

Use Of Thermodynamic Models For Optimizing Fuel Treatment Processes, Shawn Pj Kirby, Andrew Guenthner

STAR Program Research Presentations

Dyes are often added to fuels for tax purposes, but they cause degradation of the fuels. It would be advantageous to remove the dyes prior to their use in critical aerospace applications. Current technologies vary in the efficiency with which they can remove unwanted dyes from fuel sources. We have used Hansen Solubility Parameters to develop an “ideal solvent” that can be used to extract these dyes from fuel. This will also be applied to removal of sulfur compounds from fuels. Sulfur compounds in fuels create sulfates during combustion, which in turn react with water to make sulfuric acid. Sulfuric …

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Fe, Co And Ni Adatoms Adsorbed On Silicene: A Dft Study, Kent Gang '14, Siva Gangavarapu '14, Matthew Deng '14, Glenn W. "Max" Mcgee, Ron Hurlbut, Michael Lee Dao Kang, Sean Ng Peng Nam, Harman Johll, Tok Eng Soon Jul 2013

Fe, Co And Ni Adatoms Adsorbed On Silicene: A Dft Study, Kent Gang '14, Siva Gangavarapu '14, Matthew Deng '14, Glenn W. "Max" Mcgee, Ron Hurlbut, Michael Lee Dao Kang, Sean Ng Peng Nam, Harman Johll, Tok Eng Soon

Student Publications & Research

Two-dimensional materials have attracted much research attention given their intriguing properties. The latest member of this class of materials is silicene. In this work, we investigate the adsorption of Fe, Co and Ni adatoms on silicene using plane-wave density functional theory calculations within the Perdew-Burke-Ernzerhof parameterization of the generalized gradient approximation for the exchange-correlation potential. In particular, we calculate the binding energy, magnetization, and projected electronic configurations of these adatoms adsorbed at different sites on the silicene. Our calculations show that the hole site (i.e. in the centre of a hexagonal-like arrangement of Si atoms) is the most stable configuration …

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Characterization By Nmr Of Reactants And Products Of Hydrofluoroether Isomers, Cf3(Cf2)3och3 And (Cf3)2c(F)Cf2och3, Reacting With Isopropyl Alcohol, Howard Knachel, Vladimir Benin, William E. Moddeman, Janine C. Birkbeck, Thomas A. Kestner, Tayna L. Young Jul 2013

Characterization By Nmr Of Reactants And Products Of Hydrofluoroether Isomers, Cf3(Cf2)3och3 And (Cf3)2c(F)Cf2och3, Reacting With Isopropyl Alcohol, Howard Knachel, Vladimir Benin, William E. Moddeman, Janine C. Birkbeck, Thomas A. Kestner, Tayna L. Young

Chemistry Faculty Publications

The 3M Company product Novec™ 71IPA DL, a mixture of methoxyperfluorobutane, methoxyperfluoroisobutane and 4.5 wt.% isopropyl alcohol, has been found to be very stable at ambient temperature, producing fluoride at the rate of ~1 ppm/year. Our earlier kinetic and theoretical studies have identified the reaction mechanism. This paper identifies the 1H and 19F NMR chemical shifts, multiplicities, and coupling constants of reactants and the major products that result from aging the mixture in sealed Pyrex NMR tubes for periods up to 1.8 years at temperatures from 26 °C to 102 °C. Chemical shifts and coupling constants of fluorine …

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Effect Of Ethyl Propionate On Low-Temperature Performance Of Lifepo4-Based Li-Ion Battery, Xiao-Ping Li, Lian-Sheng Hao, Wei-Shan Li, Meng-Qing Xu, Li-Dan Xing Jun 2013

Effect Of Ethyl Propionate On Low-Temperature Performance Of Lifepo4-Based Li-Ion Battery, Xiao-Ping Li, Lian-Sheng Hao, Wei-Shan Li, Meng-Qing Xu, Li-Dan Xing

Journal of Electrochemistry

A linear carboxylic, ester ethyl propionate (EP), was used as the co-solvent of carbonates, ethylene carbonate (EC), ethyl-methyl carbonate (EMC) and dimethyl carbonate (DMC), and its effect on low-temperature performance of LiFePO4-based Li-ion battery was studied by cyclic voltammetry (CV), electrochemical impedance spectroscopy (EIS) and galvanostatic charge-discharge test. The application of EP enhances the ionic conductivity of the electrolyte, improves the compatibility of the electrolyte with both LiFePO4 and graphite materials, and thus improves the low-temperature performance of LiFePO4-based Li-ion battery. The Li-ion battery using the optimized electrolyte of 1 mol·L-1 LiPF6/EC:EMC:DMC:EP …

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Multifunctional Corrosion Inhibition Behavior Of Zn-Al Calcined Layered Double Hydroxides For Steel Rebar In Nacl Solution, Xiao-Juan Zhang, Jing-Jing Wang, Shi-Gang Dong, Chang-Jian Lin Jun 2013

Multifunctional Corrosion Inhibition Behavior Of Zn-Al Calcined Layered Double Hydroxides For Steel Rebar In Nacl Solution, Xiao-Juan Zhang, Jing-Jing Wang, Shi-Gang Dong, Chang-Jian Lin

Journal of Electrochemistry

The Zn-Al layered double hydroxides (Zn-Al LDHs) and calcined products (Zn-Al CLDHs) were synthesized successfully under a routine air atmosphere. The results showed that both Zn-Al LDHs and Zn-Al CLDHs had obvious flake structures. The corrosion inhibition of Zn-Al CLDHs for steel rebar in NaCl solution was studied by electrochemical techniques. It was found that the corrosion rate of steel rebar decreased significantly after the steel rebar was treated by Zn-Al CLDHs in NaCl solution for 3 h. It was indicated that Zn-Al CLDHs could absorb Cl- and release OH- during their reconstruction process, which provided dual protection …

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Influences Of The Cinnamic Acid On Zinc Electrodeposition At Glassy-Carbon Electrode, Kai Li, Shen Chen, Shen-Na Liu, Bi-Sang Chen, Heng Lin, Guo-Liang Chen, Qing-Xiang Wang Jun 2013

Influences Of The Cinnamic Acid On Zinc Electrodeposition At Glassy-Carbon Electrode, Kai Li, Shen Chen, Shen-Na Liu, Bi-Sang Chen, Heng Lin, Guo-Liang Chen, Qing-Xiang Wang

Journal of Electrochemistry

The influences of cinnamic acid (CIN) on the mechanism of Zn deposition and nucleation kinetics onto glassy-carbon electrode were studied by cyclic voltammetry (CV) and chronoamperometry (CA). The results revealed that the zinc reduction took place via Zn2+ + 2e → Zn in the presence of CIN, but the kinetics of zinc deposition was changed and the formation rate of zinc nuclei was accelerated. In the absence of CIN, the mechanism of zinc nucleation followed the 3D-instantaneous diffusion-controlled nucleation, while the 3D-progressive diffusion-controlled nucleation in the presence of CIN. The addition of CIN reduced the nucleation rate, but increased …

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