Chemistry Commons^™

Study On Mass Transport In Liquid Layer Adjacent To The Electrode Through Transmission Vop-Spectroellipsometry, Wei Zhu, Yu-Ru Yang, Zong-Qing Huang

Journal of Electrochemistry

In electrochemical system, the mass transport process in liquid layer adjacent to electrode is studied through theoretical analysis only.The diffusion process can be analyzed theoretically by Fick's law for homogeneous media. Up to now, none of satisfied experimental method has been reported for studying mass transport of a whole process in liquid media yet. This paper described the experimental approach to explore mass transport in electrochemical system by transmission Vop-spectroellipsometry briefly.

Studies On The Electrochemical Preparation And Electrochemical Properties Of Conducting Polymers——Brief Introduction To The Research Work Of Electrochemistry Of Conducting Polymers In Cas Key Laboratory Of Organic Solids(I), Yong-Fang Li

Journal of Electrochemistry

Conducting polymers have drawn much attention since the discovery of conducting polyacetylene in 1977, due to the novelty and curiosity of their structure and properties as well as their promising applications in many aspects. Among the studies of conducting polymers, the electrochemical preparation and electrochemical properties of conducting polymers are of special importance, because the electropolymerization is a main method for preparing conducting polymer films and the electrochemical properties are the basis for their applications in the fields of electrode materials for batteries, electrocatalysis, electrochromic display, etc. We are one of the earliest research groups in the world to perform …

Electrochemical Behavior Of Aluminized Steel In Seawater Environment, Cheng-Hao Liang, Jun Wei, Si Lu, Run-Fen Zheng

Journal of Electrochemistry

The electrochemical behavior of aluminized steel in seawater has been studied by immersion test and electrochemical technology. The results indicate that compared with 20# steel, the aluminized steel has lower corrosion potential and stronger anodic activity in seawater. Its anodic solution will occur at low potential. The immersion test shows that the corrosion rates of aluminized steel and 20# steel are 5.80 mg/dm² dand 3.36 mg/dm² d, respectively. Through the X-ray diffraction patternanalysis, it was found that chloride ions exit in the corrosion products of aluminized steel. It proves the participation of chloride ions in the process of …

The Inhibition Synergistic Effect Between Imidazoline Derivative And Thiourea, Jing-Mao Zhao, He-Xia Liu, Wei Di, Yu Zuo

Journal of Electrochemistry

The inhibition synergistic effect between imidazoline and thiourea for carbon steel in CO₂ saturated brine solution was investigated by using weight-loss method, polarization curves measureament and XPS. The results showd that the inhibition efficiency increased significantly when imidazoline derivative was added as a corrosion inhibitor in the solution together with thiourea. The N and S atoms in the inhibitor film adsorbed on the surface of carbon steel, and N atoms predominated in the film near the solution and decreased gradually with the film depth and finally S atoms were the major element in the film near the matrix. It …

The Electrochemical Performance Of Modified Spinel At Elevated Temperature, Zhen-Ping Cai, Xiao-Hong Chen, Shi-Gang Lu, Ming-Xun Li, Wei-Hua Jin

Journal of Electrochemistry

The modified LiMn₂O₄ cathode materials for lithium ion batteries have been synthesized by solid-state reaction. The crystal structure and electrochemical performance of products have been investigated by SEM, XRD and electrochemical measurements. The XRD analysis indicated that all the synthesized products possess Fd3m spinel LiMn₂O₄ structure. Those modified LiMn₂O₄ materials showed improved cycling capacity over pure spinels at high temperature and room temperature.

Investigation Of Pulse Potential-Modulated Coulometry For Co2 Detection, Hai-Chuan Wang, Bing-Liang Wu

Journal of Electrochemistry

A pulse potential-modulated technique was applied to measure the concentration of CO₂ in gas samples. In the first step, an anodic pulse and a consequent cathodic pulse were used to remove the organic pollutant and surface oxide on the surface of the platinized Pt gauze electrode before each experiment. As following, a given potential step was used to reduce the CO₂ into adsorbed intermediate on Pt surface, and the adsorbates produced were oxidized by a following anodic potential step. At same time the oxidation current of adsorbates were measured. A certain relation exists between the concentration of CO …

Electrochemical Investigations On Pitting Susceptibility Of Iron-Based Alloy, Wei-Shan Li, Hong-Yu Chen, Zhong-Zhi Yuan, Hong Li, Qi-Ming Huang, Dong-Sheng Lv

Journal of Electrochemistry

The formation process of passive film on iron and electronic properties and pitting susceptibility of an iron-based alloy are investigated by using linear potential sweep, alternative current impedance and electrochemical nose technologies. The relationship between reciprocal square capacitance and potential following the Mott-Schottky behavior is limited at a narrow rang of low potentials. At higher potentials, linear relationship between reciprocal capacitance and potential is obtained, which is ascribed to the increasing thickness of the passive film with potential. The donor density of the passive film is influenced by the formation potential of the film, passivator and microstructure. The decrease in …

Preparation And Photo-Catalyst Properties Of The α-Fe2O3-Tio2 Films On Sodium Alginate Polymer, Li-Qin Chen, Huai-Zhen Zhong, Ri-Yao Chen, Xi Zheng, Zhen Chen

Journal of Electrochemistry

Three new nano thin films of α-Fe₂O_3, TiO₂ and α-Fe₂O₃-TiO₂ by doping their powder with sodium alginate polymer were prepared. Surface structure and catalytic activities of the films were characterized by FTIR, XRD, PL, TEM and I-V techniques. The results of UV-visible absorption showed that the methylene blue was mineralized in aqueous of α-Fe₂O₃/SA, TiO₂/SA and (α-(Fe₂O₃))-TiO₂ /SA upon radiation with ultra violet light. α-Fe₂O₃ enhanced their photo-decolorized-activities by doping 15% TiO₂.

Applications Of New Activated Carbon Meterials In The Electric Double-Layer Capacitor, Jian-Jun Zhang, Hua Jiang, Jian-Hui Fang, Li-Yi Shi, Ren-He Yin, Yi Wen, Ji-Quan Liu

Journal of Electrochemistry

A new type activated carbon whose precursor was coconut shell could be obtained using specific physics-chemistry activation, and the activated carbon was applied as the material of electrode in EDLC (electrical double-layer capacitor),which had a large specific capacitance, and could charge and discharged in some large currents. Carbon dioxide and acid were used to modify carbon,and the effects of post-treatment on surface area and pore volume were investigated. A moulding method which has influence on some properties of carbon electrode with PTFE additive was researched in the paper.

Electrocatalytic Performances Of Carbon Nanotube Air Electrode For Oxygen Reduction, Feng-Ming Zhao, Chun-An Ma

Journal of Electrochemistry

The air electrodes with different mass ratio of Pt/active carbon or carbon nanotube as catalyst layer material have been prepared. The electrocatalytic performances for oxygen reduction were evaluated by means of polarization curve and electrochemical impedance spectroscopy (EIS). The results disclosed that carbon nanotubes dealt with nitric acid in the catalyst layer had been improved obviously on the electrocatalytic activity. After the surface of carbon nanotube was oxygenated and aggraded with platinum, the catalyst had obviously effects on the electrocatalytic activity. The air electrode with the mass ratio of active carbon to Pt/carbon nanotube in 4∶1 showed better electrocatalytic activity, …

The Investigation Of Bafesi/C Alloy Composite As Anode Materials For Li-Ion Battery, Rui-Xiang Feng, Hua Dong, Xin-Ping Ai, Han-Xi Yang

Journal of Electrochemistry

A novel BaFeSi/C composite was prepared by mechanical ball milling, and lithium insertion reactions on the composite electrode were investigated by cyclic voltammetry , charge-discharge measurements, XRD and XPS spectroscopy. It is demonstrated that the capacity retention with indiscernible capacity decas during charge-discharge cycling. The improved cycling ability of the composite is suggested from a cooperative action by inactive FeSi₂ and BaSi₂ matrix and outer graphite shell, which both buffer the volumetric changes of the active Si phase and provide a good connection for electronic and ionic conduction during lithium insertion and extraction processes.

Electrical Properties And Raman Scattering Study Of Single Crystal Cs2nb4o11, Jianjun Liu, E. P. Kharitonova, Chun-Gang Duan, Wai-Ning Mei, Robert W. Smith, John R. Hardy

Chemistry Faculty Publications

We studied temperature dependence of complex capacitance, impedance, and polarized Raman spectra of single crystal Cs2Nb4O11. First, we observed a sharp-shaped peak at 165 ^oC in the complex capacitance, then found drastic changes in the Raman spectra in the same temperature range. Utilizing the pseudosymmetry search of structure space group, we attributed the observed anomalies to a structural change from the room temperature orthorhombic Pnn2 to another or- thorhombic Imm2. We also measured room temperature polarized Raman spectra in different symmetries of normal vibrations and assigned high wavenumber Raman bands to the internal vibrations of NbO6 octahedra and NbO4 …

Tandem Intramolecular Nicholas And Pauson-Khand Reactions For The Synthesis Of Tricyclic Oxygen-Containing Heterocycles, Miriam M. Quintal, Kristina D. Closser, Kevin M. Shea

Chemistry: Faculty Publications

Simple acyclic enynes can be easily converted into tricyclic ethers upon treatment with Co2(CO)8followed by Nicholas and Pauson−Khand reactions. Tricyclic [5,8,5]- and [5,7,5]-systems can be prepared in high overall yields in only seven synthetic steps.

Additive-Assisted Cerium-Based Electrolytic Coating Process For Corrosion Protection Of Aluminum Alloys, James O. Stoffer, Thomas J. O'Keefe, Eric L. Morris, Scott Hayes, Paul Yu, Alex Williams, Xuan Lin

Chemistry Faculty Research & Creative Works

The corrosion resistance of an aluminum or aluminum alloy component is enhanced by immersing an aluminum alloy to act as a cathode and an oxygen-evolving anode in an electrolyte comprising water, cerium ions, and an additive selected from among animal gelatin, derivatives of animal gelatin, and amino acids, then passing an electrical current through the electrolyte to deposit a cerium-based coating onto the aluminum-based component.

Azaadamantane Benzamide 5-Ht4 Agonists: Gastrointestinal Prokinetic Sc-54750, Daniel Becker, Daniel L. Flynn, Robert L. Shone, Gary Gullikson

Chemistry: Faculty Publications and Other Works

Azaadamantanone 1 was converted to a series of aminoazaadamantane benzamides 9a–d, which were profiled for serotonin receptor activity. Aminomethylazaadamantane SC-54750 is a potent 5-HT4 agonist and 5-HT3 antagonist with in vivo efficacy in gastroparesis models and also inhibits cisplatin-induced emesis.

An Extension Of The Quasicontinuum Treatment Of Multiscale Solid Systems To Nonzero Temperature, Dennis J. Diestler, Z.-B. Wu, Xiao Cheng Zeng

Xiao Cheng Zeng Publications

Covering the solid lattice with a finite-element mesh produces a coarse-grained system of mesh nodes as pseudoatoms interacting through an effective potential energy that depends implicitly on the thermodynamic state. Use of the pseudoatomic Hamiltonian in a Monte Carlo simulation of the two-dimensional Lennard-Jones crystal yields equilibrium thermomechanical properties (e.g., isotropic stress) in excellent agreement with “exact” fully atomistic results.

Structural Mimicry In Class A G Protein-Coupled Receptor Rotamer Toggle Switches, Sean D. Mcallister, Dow P. Hurst, Judy Barnett-Norris, Diane L. Lynch, Patricia H. Reggio, Mary E. Abood

Faculty Articles

In this study, we tested the hypothesis that a CB₁ TMH3-4-5-6 aromatic microdomain, which includes F3.25(190), F3.36(201), W5.43(280), and W6.48(357), is centrally involved in CB₁ receptor activation, with the F3.36(201)/W6.48(357) interaction key to the maintenance of the CB₁-inactive state. We have shown previously that when F3.36(201), W5.43(280), and W6.48(357) are individually mutated to alanine, a significant reduction in ligand binding affinity is observed in the presence of WIN 55,212-2 and SR141716A but not CP55,940 and anandamide. In the work presented here, we report a detailed functional analysis of the F3.36(201)A, F3.25(190)A, W5.43(280)A, and W6.48(357)A mutant receptors …

In Situ Anomalous Small-Angle X-Ray Scattering From Metal Particles In Supported-Metal Catalysts. I. Theory, H. Brumberger, D. Hagrman, Jerry Goodisman, K. D. Finkelstein

Chemistry - All Scholarship

A supported-metal catalyst can be considered as a mixture of three homogeneous phases: support, void and metal. Information about the metal phase alone can be obtained using anomalous small-angle X-ray scattering (ASAXS), which requires measuring the SAXS for two different wavelengths near the metal's absorption edge. Herein, the conditions that must be obtained so that the difference between the two scattering profiles gives the scattering of the metal alone are presented. In a following contribution, the analysis will be applied to in situ ASAXS measurements made on mordenite impregnated with platinum metal while the temperature and composition of gas in …

Modified Quantum Trajectory Dynamics Using A Mixed Wave Function Representation, Sophya Garashchuk, Vitaly A. Rassolov

Faculty Publications

Dynamics of quantum trajectories provides an efficient framework for description of various quantum effects in large systems, but it is unstable near the wave function density nodes where the quantum potential becomes singular. A mixed coordinate space/polar representation of the wave function is used to circumvent this problem. The resulting modified trajectory dynamics associated with the polar representation is nonsingular and smooth. The interference structure and the nodes of the wave function density are described, in principle, exactly in the coordinate representation. The approximate version of this approach is consistent with the semiclassical linearized quantum force method [S. Garashchuk and …

The Use Of A Quartz Crystal Microbalance With Dissipation For The Measurement Of Protein–Protein Interactions: A Qualitative And Quantitative Analysis Of The Interactions Between Molecular Chaperones, Janice Limson, Odutayo O. Odunuge, Hans Green, Fredrik Höökc, Gregory Blatch

Faculty Publications

Biotechnology research and innovation depends on the ability to understand the molecular mechanisms of biological processes such as protein–protein and protein–ligand interactions. Surface plasmon resonance (SPR) spectroscopy is now well established as a quantitative technique for monitoring biomolecular interactions. In this study, we examined the recently developed quartz crystal microbalance with dissipation (QCM-D) method as an alternative to SPR spectroscopy to investigate protein–protein interactions, in particular, for chaperone–co-chaperone interactions. In mammalian cells, the Hsp70/Hsp90 organizing protein (Hop) is a co-chaperone required for the association of the molecular chaperones, heat shock protein 70 (Hsp70) and heat shock protein 90 (Hsp90). The …

Resonance-Enhanced Multiphoton Ionization For Real-Time Monitoring Of Trichloroethylene Formed By Degradation Of Tetrachloroethylene Using Zero-Valent Zinc, Kui Chen, Jack E. Pender, John L. Ferry, S. Michael Angel

Faculty Publications

Resonance-enhanced multiphoton ionization (REMPI) is investigated as a potential technique for real-time monitoring of selected volatile organochloride compounds (VOCs). In a proof-of-concept experiment, the progress of the reductive-degradation of tetrachloroethylene (PCE) to trichloroethylene (TCE) by zero-valent zinc was monitored by REMPI measurements performed in the headspace above the PCE solution. Two-photon resonant REMPI spectra of TCE and PCE were recorded over the wavelength range 305–320 nm. The concentrations of PCE and TCE in the headspace were monitored by measurement of the ionization signal with 315.64- and 310.48-nm excitation for PCE and TCE, respectively. Calibration curves yielded a linear range of …

Long-Residency Hydration, Cation Binding, And Dynamics Of Loop E/Helix Iv Rrna-L25 Protein Complex, Neocles B. Leontis, Kamila Réblová, Nad'a Špačková, Jaroslav Koča, Jiří Šponer

Chemistry Faculty Publications

Molecular dynamics simulations of RNA-protein complex between Escherichia coli loop E/helix IV (LE/HeIV) rRNA and L25 protein reveal a qualitative agreement between the experimental and simulated structures. The major groove of LE is a prominent rRNA cation-binding site. Divalent cations rigidify the LE major groove geometry whereas in the absence of divalent cations LE extensively interacts with monovalent cations via inner-shell binding. The HeIV region shows bistability of its major groove explaining the observed differences between x-ray and NMR structures. In agreement with the experiments, the simulations suggest that helix-alpha1 of L25 is the least stable part of the protein. …

Nanoscale Hydrophobic Interaction And Nanobubble Nucleation, T. Koishi, S. Yoo, K. Yasuoka, Xiao Cheng Zeng, T. Narumi, R. Susukita, A. Kawai, H. Furusawa, A. Suenaga, N. Okimoto, N. Futatsugi, T. Ebisuzaki

Xiao Cheng Zeng Publications

We report large-scale atomistic simulation of midrange nanoscale hydrophobic interaction, manifested by the nucleation of nanobubble between nanometer-sized hydrophobes at constrained equilibrium. When the length scale of the hydrophobes is greater than 2 nm, the nanobubble formation shows hysteresis behavior resembling the first-order transition. Calculation of the potential of mean force versus interhydrophobe distance provides a quantitative measure of the strength of the nanoscale hydrophobic interaction.

Ultra-Fast Formation Of Stable Nanoparticle Film Assemblies, Dan Sheibley, Renee Szymanik, Michael C. Leopold

Chemistry Faculty Publications

Novel assembled films of monolayer-protected clusters (MPCs) can be grown on gold and glass substrates with a 20-fold higher efficiency than established procedures. Thick MPC films grown using this new method, which can easily be scaled up or automated, are extremely stable and have properties identical to traditionally formed nanoparticle films, including unique quantized double layer charging effects. This new procedure for growing nanoparticle films shares the versatility of the traditional method but exhibits accelerated growth attributed to highly efficient sorption and mobility of metal ion linkers within swelled films and improved mass transfer of nanoparticles to assembly sites. Concentration …

Immobilization Of Fission Iodine By Reaction With A Fullerene Containing Carbon Compound And Insoluble Natural Organic Matrix, Spencer M. Steinberg, Gary Cerefice, David W. Emerson

Separations Campaign (TRP)

The recovery of iodine released during the processing of used nuclear fuel poses a significant challenge to the transmutation of radioactive iodine. During the first two years of this program we have examined the potential of Fullerene Containing Carbon compounds (FCC) developed by KRI, and natural organic matter (NOM) as sorbents for iodine released during the reprocessing of nuclear fuel. This work involved the development of bench-scale testing of the FCC and NOM material in a simulated process off-gas environment.

Research Objectives and Goals

• Develop bench-scale experimental set-up and procedures for simulating PUREX head-end vapor phase; Develop experimental procedures …

Hybrid Atomistic-Coarse-Grained Treatment Of Thin-Film Lubrication. Ii, Z.-B. Wu, Dennis J. Diestler, Xiao Cheng Zeng

Xiao Cheng Zeng Publications

A new hybrid atomistic-coarse-grained (HACG) treatment of reversible processes in multiple-scale systems involving fluid-solid interfaces was tested through isothermal-isobaric Monte Carlo simulations of the quasistatic shearing of a model two-dimensional lubricated contact comprising two planar Lennard-Jones solid substrates that sandwich a softer Lennard-Jones film. Shear-stress profiles (plots of shear stress T_yx versus lateral displacement of the substrates) obtained by the HACG technique, which combines an atomistic description of the interfacial region with a continuum description of regions well removed from the interface, are compared with “exact” profiles (obtained by treating the whole system at the atomic scale) for a …

Melting Points And Thermal Expansivities Of Proton-Disordered Hexagonal Ice With Several Model Potentials, Yuji Koyama, Hideki Tanaka, Guangtu Gao, Xiao Cheng Zeng

Xiao Cheng Zeng Publications

A method of free energy calculation is proposed, which enables to cover a wide range of pressure and temperature. The free energies of proton-disordered hexagonal ice (ice Ih) and liquid water are calculated for the TIP4P [J. Chem. Phys. 79, 926 (1983)] model and the TIP5P @J. Chem. Phys. 112, 8910 (2000) model. From the calculated free energy curves, we determine the melting point of the proton-disordered hexagonal ice at 0.1 MPa (atmospheric pressure), 50 MPa, 100 MPa, and 200 MPa. The melting temperatures at atmospheric pressure for the TIP4P ice and the TIP5P ice are found to be about …

Ice Nucleation In Internally Mixed Ammonium Sulfate/Dicarboxylic Acid Particles, Matthew E. Wise, Rebecca M. Garland, Margaret A. Tolbert

CUP Faculty Research

Recent studies have shown that tropospheric sulfate aerosols commonly contain 50% or more by mass organic species. The influence of these organics on the chemical and physical properties of sulfate aerosols is not fully established. Using an aerosol flow tube technique, we have determined ice nucleation temperatures for particles composed of ammonium sulfate and mixtures of ammonium sulfate with a series of dicarboxylic acids. A calibration curve was developed to allow us to convert the freezing temperatures to a saturation ratio required for ice nucleation. At levels detectable by our experimental technique we find that the freezing temperatures and critical …

Immobilization Of Fission Iodine By Reaction With A Fullerene Containing Carbon Compound And Insoluble Natural Organic Matrix: Quarterly Report August-September 2004, Spencer M. Steinberg

Separations Campaign (TRP)

During first year of the project we were able to demonstrate iodine sorption by a sphagnum peat and Ca(OH)2 mixture. We decided to explore varying the ratio of Ca(OH)2 to sphagnum on the retention of iodine in both the iodine generator experiments and the fuel rod simulator experiments.

We also constructed a device for simulating the dissolution of fuel rods. Early experiments were impacted by sorption of iodine onto various components of the sorption train. We have eliminated or minimized iodine sorption by the system components. We retested both FCC and the sphagnum using this device. In these experiments a …

Solvent And Method For Extraction Of Triglyceride Rich Oil, Shubhender Kapila, Paul Ki-Souk Nam, V. J. Flanigan

Chemistry Faculty Research & Creative Works

The present invention relates to a solvent for use in extracting oil from an oil bearing material, such as soybeans, with the solvent resulting in the selective extraction of a triglyceride rich oil, which contains 95% or greater triglycerides and non-polar constituents, with the solvent comprised of a hydrocarbon, preferably hexane, and a fluorocarbon, so that the solvent has a viscosity less than 2.6 centipoise and a polarity of less than 0.1. The present invention also relates to a method of using the solvent to extract the triglyceride rich oil, with the method including preferably extracting the oil at a …