Chemistry Commons^™

Holographic Analysis Of Diffraction Structure Factors, S. Marchesini, N. Mannella, C. S. Fadley, M. A. Van Hove, J. J. Bucher, D. K. Shuh, L. Fabris, M. J. Press, M. W. West, Wayne C. Stolte, Z. Hussain

Chemistry and Biochemistry Faculty Research

We combine the theory of inside-source/inside-detector x-ray fluorescence holography and Kossel lines/x ray standing waves in kinematic approximation to directly obtain the phases of the diffraction structure factors. The influence of Kossel lines and standing waves on holography is also discussed. We obtain partial phase determination from experimental data obtaining the sign of the real part of the structure factor for several reciprocal lattice vectors of a vanadium crystal.

Crown Ether-Modified Clays And Their Polystyrene Nanocomposites, Hongyang Jao, Jin Zhu, Alexander B. Morgan, Charles A. Wilkie

Chemistry Faculty Research and Publications

Crown ether-modified clays were obtained by the combination of sodium and potassium clays with crown ethers and cryptands. Polystyrene nanocomposites were prepared by bulk polymerization in the presence of these clays. The structures of nanocomposites were characterized by X-ray diffraction and transmission electron microscopy. Their thermal stability and flame retardancy were measured by thermogravimetric analysis and cone calorimetry, respectively. Nanocomposites can be formed only from the potassium clays; apparently the sodium clays are not sufficiently organophilic to enable nanocomposite formation. The onset temperature of the degradation is higher for the nanocomposites compared to virgin polystyrene, and the peak heat release …

A Microfabricated Microconcentrator For Sensors And Chromatography, Minhee Kim

Dissertations

The detection and quantitative measurement of trace components is a challenging task. The key component in such an instrument is the concentration step where the analytes are accumulated before the analysis. In this research, simple and inexpensive processes for the microfabrication of microconcentrator that can be used with sensors and as an injector in GC were developed. Analytes are selectively concentrated in the microconcentrator. Rapid electrical heating of the microconcentrator releases the adsorbed species as a 66 concentration pulse", which serves as an injection for the detection system. The relatively small size of the microconcentrator allows it to be heated …

Catalytic Reduction Of Nitric Oxide By Solid Carbonaceous Material Under Lean Condition, Shan Xiao

Dissertations

The reactions of O₂, NO_x and soot from Diesel exhaust over Cu containing catalysts can significantly reduce soot and NO_x emissions while producing N₂ and CO₂. The author has evaluated the performance of Cu ion exchanged ZSM-5 and Cu adsorbed on Granulated Activated Carbon (Cu-GAC) using GAC as a surrogate for soot in a packed bed reactor. CO, formed primarily by the oxidation of GAC with O₂, appears to be a stable intermediate in the reduction of NO. With experimental parameters chosen to simulate Diesel exhaust conditions, Cu-GAC is much more …

Hydrogen-Induced Embrittlement Of Candidate Target Materials For Applications In Spallation-Neutron-Target Systems: Quarterly Progress Report (June 01 – August 31, 2002), Ajit K. Roy, Brendan O'Toole

Transmutation Sciences Materials (TRP)

The primary objective of this task is to evaluate the effect of hydrogen on environment-assisted cracking of candidate target materials for applications in spallation-neutron-target (SNT) systems such as accelerator production of tritium (APT) and accelerator transmutation of waste (ATW). The materials selected for evaluation and characterization are martensitic stainless steels including Alloy HT-9, Alloy EP 823 and Type 422 stainless steel. The susceptibility to stress corrosion cracking (SCC) and hydrogen embrittlement (HE) of these materials are being evaluated in environments of interest using tensile specimens under constant load and slow-strain-rate (SSR) conditions. Further, the localized corrosion behavior of these alloys …

Modeling Corrosion In Oxygen Controlled Lbe Systems With Coupling Of Chemical Kinetics And Hydrodynamics-Task V: Final Report -Phase I 09/01/2001-08/30/2002, Samir Moujaes, Yitung Chen

Transmutation Sciences Materials (TRP)

The Lead-Bismuth eutectic (LBE) has been determined from previous experimental studies by the Russians and the European scientific community to be a potential material that can be used as a spallation target and coolant for the AAA proposed application. Properly controlling the oxygen content in LBE can drastically reduce the LBE corrosion to structural steels. However, existing knowledge of material corrosion performance was obtained from point-wise testing with only very sparse experimental data. Scientists have noticed that the concentration of oxygen dissolved in the liquid alloy could control the corrosion rate of steels exposed to Pb or Pb-Bi. At high …

Initial Stages Of Copper Electrodeposition On Glassy Carbon Electrode, Ling Huang, Rui Zhang, Min Gu, Fang-Zu Yang, Shu-Kai Xu, Shao-Min Zhou

Journal of Electrochemistry

Initial stages of copper electrodeposition on glassy carbon electrode from acid sulphate solutions were studied using cyclic voltammetry and chronoamperometry. The electrolyte solution was a 0.05 mol.L^-1 copper sulphate, 1.4～1.8 mol⋅L^-1 sulphuric acid containing 1 mg·L^-1 2-mercaptobenzoimidazole, Results show that 2-mercaptobenzoimidazole produced an inhibition of the copper deposition, probably related to the adsorption,sulphuric acid promote copper electrodeposition. The initial deposition kinetics corresponded to a model including instantaneous nucleation and diffusion controlled growth.Addition of 2-mercaptobenzoimidazole and sulphuric acid did not change the initial nucleation of copper electrocrystallization, it increased the nucleation rate and the number density of nuclei …

Study On Modification Of Spinel Limn2O4 By Overcoating, Ren-Gang Zhang, Shi-Xi Zhao, Jung-Lei Xia, Han-Xing Liu

Journal of Electrochemistry

The surface of spinel LiMn₂O₄ was modified by the sol-gel process with LiCoO₂-coated LiMn₂O₄ and studied by XRD, SEM and EPMA. The results have shown that the surface of the coated grains heated at 700 ℃ for 10h, which is cubic spinel, were Co-rich. The amount of Co³⁺ in the grains changed owing to different place of the grain and decreased from surface to inner parts. Using the coated as the cathode of Li-ion cells, the initial capacity deceased slightly, but the amount of Mn²⁺ solving in electrolyte decreased, Jahn-Teller …

Electrochemical Techniques For Measuring Anti-Corrosion Behavior Of The Thin Corrosion Inhibitor Layer To The 907a Steel, Yong-Tao Zhao, Jian-Hua Wu, Fan-Cai Chen, Zhong-Ping Gao, Jia Wang, Chang-Jiu Zhao

Journal of Electrochemistry

The corrosion inhibiting behavior of 907A steel, which was covered with thin inhibitor layers in moist seawater atmosphere,was studied. The electrochemical measurements, including EIS method and the coulostatic method, were used to atmospheric corrosioed monitor (ACM) under thin inhibitor layers to determine its corrosion rate. The results shown that the application of electrochemical methods such as the coulostatic technique and EIS could readily detect the on going process of film formation. Hence, the rapid evaluation of the thin inhibitor layers for 907A steel might be possible.

Ionic Conduction In Ba0.95Ce0.9Y0.1O3 - Α Solid Oxide And Its Performance In Fuel Cell, Gui-Lin Ma, Ding-Xian Jia, Li-Gan Qiu, Hui Shi, Rong Chen

Journal of Electrochemistry

Using Ba_0.95Ce_0.9Y_0.1O_3-α as a solid electrolyte and porous platinum as electrodes,hydrogen and oxygen concentration cells and hydrogen-air fuel cell were constructed, respectively. Electromotive forces (MEFs) of the gas concentration cells and I-V characteristics of the fuel cell were detdrmined in the temperature range of 600～1 000 ℃. The Ba_0.95Ce_0.9Y_0.1O_3-α exhibited almost the pure protonic conduction under hydrogen gas,and a mixed conduction of oxide-ion and electron hole with oxide-ion transport number of 0.3～0.5 under oxygen gas. It exhibited a mixed conduction of proton and oxide-ion with the …

Xrd Study On Highly Preferred Orientation Cu Electrodeposit, Min Gu, Fang-Zu Yang, Ling Huang, Shi-Bing Yao, Shao-Min Zhou

Journal of Electrochemistry

Copper electrodeposit was obtained in CuSO₄+H₂SO₄ electrolyte solution by electrodeposition and its structure was studied by XRD. The results showed that copper electoddeposits with the highly preferred orientations of (220) and (111) could be obtained at current density 4.0 A/dm² and 15.0 A/dm², respectively. The texture coefficient (TC) values were increased by thickness of Cu deposits. The thickness would be, to obtain Cu electrodeposit with (111) highly preferred orientation, about 7 times of that of (220) highly preferred orientation, which indicated that(220) face was easier to be remained than (111) face and …

Some Consideration For Lithium-Ion Cells' Safety, Guang-Xia Hu, Jing-Ying Xie

Journal of Electrochemistry

The safety is the most important problem for lithium ion cells, especially for large lithium ion cells. In this paper, some information about lithium ion cells' safety can be learned by discussing several aspects of lithium ion cells, such as, materials of lithium ion cell, manufacturing processes, using conditions and so on.

Facilitated K+ Ion Transfer By Db18c6 Across The Micro Liquid/Liquid Interface, Dong-Ping Zhan, Bing-Liang Wu

Journal of Electrochemistry

A novel microcavity Ag|AgCl electrode was fabricated to construct the micro-interface of two immiscible electrolyte solutions(ITIES). The transfer reactions of K⁺ ion facilitated by DB18C6 across the water/1,2-DCE interface was investigated with the three-electrodes system. The corresponding reaction parameters were derived from the voltammetric data. The results showed that the microcavity electrode would be a useful and efficient tool to investigate the charge transfer reactions at ITIES.

Study On Hydrogen Evolution Performance Of Nickel-Tin Electrode, Tian-Yi Chang, Bao-Hong Zhang, Wenbo Cong, Yao Luo

Journal of Electrochemistry

The cathode active material with low hydrogen evolution overvoltage was prepared by electroplating Ni-Sn alloy on the ferrous basic body.This kind of material can be applied in the diaphragm type of electrolytic tank to decrease cell voltage and save energy. On the condition according with cathode solution in the electrolytic tank (NaOH 120 g/L, NaCl 190 g/L, 90 ℃, i=150 mA/cm²), the overvoltage of hydrogen evolution was 88 mV. By the X-ray diffraction analysis, it was found that the structure of this kind of material was different from that of Ni-Sn alloy applied in traditional decoration. By using …

Electrochemical Degradation Of Organic Wastewater By Three-Dimensional Electrode Reactor, Chun He, Tai-Cheng An, Ya Xiong, Dong Shu, Hui-Ling Hu, Xi-Hai Zhu

Journal of Electrochemistry

The electrochemical degradation of aniline was investigated using a novel electrochemical reactor, three-dimensional electrode reactor. The experimental results indicated that the reactor could efficiently remove aniline. The removal efficiency could be attributed to a combination of direct and indirect electrochemical reactions, that is, anodic oxidation and oxidation of electrogenerated H₂O₂ and hydroxyl radicals generated in electro-Fenton process. It was also observed that the removal efficiency was significantly dependent on applied voltage, Fe²⁺ concentration, pH value and electrolysis time. In the experimental range they all have a positive effect on the removal efficiency except for pH value. …

Pure Hap Film Prepared By Direct Electrodepositing On Metallic Surface And Its Mechanism, Hao-Bing Hu, Chang-Jian Lin, Fei Chen, Ren Hu, Ming Guo

Journal of Electrochemistry

In controlling concentration of Ca²⁺ and PO₄^3- in electrodeposition solution, the HAP film on Ti alloy has been deposited directly. Using XRD and SEM we have learned that prepared HAP is intact in crystal and equal in dimension. Thermodynamic calculation indicated that the HAP is easer formation of than that TCP of. With the XRD, SEM analyses and thermodynamic calculation, the electrodeposition mechanism has been discussed. It was proved that electrodepositon is a two-stage process and formation of HAP is a direct process from solution ions to HAP crystal without precursor.

Thionine-Glutathione Self-Assembly Monolayer Modified Electrdoe And The Quasi-Reversible Response Of Dopamine, Cheng Fang, Zheng Luan, Wu-Ming Zhang, Xing-Yao Zhou

Journal of Electrochemistry

Thionine was bound onto a glutathione monolayer self-assembled on the surface of a gold electrode previously, the electrochemical characteristics of which were studied. It was found that dopamine had a quasi-reversible response and cathodic characterstics peak could be used to determine the concentration of dopamine in the range of 1.0～300 μmol·L^-1 in the presence of a higher concentration of ascorbic acid.

Synthesis And Characterization Of Lini0.8-XAlXCo0.2O2 As Cathodes For Lithium-Ion Batteries, Jun Zhang, Zhong-Kao Jin, Qing-He Yang, Qing-Mei Song, Xiao-Hua Ma, Xiang-Fu Zong

Journal of Electrochemistry

Single-phase solid solution of LiNi_0.8-xAl_xCo_0.2O₂ (0≤ x <0.1)had been synthesized and characterized by X-ray diffraction(XRD) and scanning electron microscopy (SEM). Their electrochemical performance was examined by charge-discharge cycling. The LiNi_0.71Al_0.09Co_0.2O₂ compound showed a discharge capacity of 152 mAh/g after 20 cycles that corresponds to 97.4% capacity retention. The beneficial effect of co-doping with Al and Co elements was corro-borated by slow scanning cyclic voltammograms(SSCV), electrochemical impedance spectrum (EIS) and differential scanning calorimetry (DSC) data on charged cathodes. These results show that the 2D-character of the crystal lattice was stabilized by co-doping with Al and Co, the phase transitions that occur during deintercalation or intercalation of Li-ions were significantly suppressed, …

Diffusion Of Hydrogen At Iron Apply For Electrochemical Oscillating Permeation, Li Zhang, Ren-He Yin, Zhan-Mei Sun

Journal of Electrochemistry

The diffusion of hydrogen in iron was measured using electrochemical oscillating permeation. Through the samples in the different frequencies, it was found that diffusion of hydrogen at iron is of linear relation with boundary condition, which is the key to Fick's diffusion equation amplitude in the liquor. We can exploit this line relation getting the diffusion of hydrogen at iron.

Research Progress On Electrode Material In All-Vanadium Redox Battery, Hua Li, Shou-Wen Chang, Chuan-Wei Yan

Journal of Electrochemistry

An all-vanadium redox flow storage battery possesses many advantages over conventional storage batteries.The development statue of two types electrode materials (metal and compound type) is introduced in this article.

The Performance And Heat Balance Of The Mcfc Stack With The Power Of 200 W, Hua-Xin Lin, Li Zhou, Bao-Lian Yi, Hua-Ming Zhang, Chang-Qin He

Journal of Electrochemistry

The output power of the MCFC stack was 217.6 W under reaction gas pressure, 0.9 MPa/cm² and utilization of oxidant and fuel gas, 20%. By calculation it was demonstrated that the heat balance state in the stack was kept at 300 mA/cm² under the utilization of fuel gas and oxidant,20%. The current density in heat balance state was higher than 100 mA/cm² under the utilization of air+CO₂ mixture gas as oxidant and H₂+CO₂ mixture gas as fuel gas,40% and 60% respectively. If the utilization was increased in the stack, the current density in …

Optimum Of Catalyst Layers For Direct Methanol Fuel Cells, Jun Zhang, Lei Li, Li Xu, Yu-Xin Wang

Journal of Electrochemistry

The performances of membrane electrode assemblies (MEAs)with various Pt loading were compared. The amount of Nafion in a catalytic layer was optimized, and the effect of Nafion loading on the resistance of MEAs was investigated with ac impedance spectroscopy. For a MEA with both Pt 4 mg/cm² in the anode and the cathode, suitable Nafion loading was 21.4 wt% in the anode. With 21.4 wt% Nafion loading in the cathode, the Direct Methanol Fuel Cells(DMFC) showed the highest performance at high current density. While, the DMFC performances came down, as Nafion loading increasing,for ohm and concentration polarization.

Electrochemical Properties Of Nitrate Immobilized On Gold Electrodes With 2-Aminoethanethiol Sams, Ya-Ru Song, Hong Wu, Hui-Bo Shao

Journal of Electrochemistry

Nitrate reductase (NR) and phospholipids were immobilized on gold electrodes with 2-aminoethanethio(AET) SAMs. After Au/AET/NR and Au/AET/NR/lipid were soaked in pH 7 phosphate buffers for days, a pair of pre-reversible peak appeared at around 0.202 V and 0.149 V respsctively, irregularly grew with soaking time in blank buffer.The cathodic peak current (i_pcl) of Au/AET/NR system had linear relationship with scan rate between 0.02 and 0.5 V⋅s^-1 ,while i_pcl was proportional to V^1/2 in Au/AET/NR/lipid system. The direct electron transfer of enzyme electrodes was strongly affected by pH. Compared with Au/AET, NR exhibited a higher electrochemical …

Modification Of Molybdenum Nitride Electrode For Supercapacitor(I)——The Effect Of Ammonium Vanadate On The Properties Of Molybdenum Nitride Electrode, Xue-Liang Li, Dao-Rong Luo, Hua-Lin Wang, Jian-Bo He, Yun-Guei Zhu

Journal of Electrochemistry

The effect of vanadium on the properties of the electrode of molybdenum nitride has been studied by using XRD, SEM and cyclic voltammetry. Modified molybdenum nitride was made as follow: films were coated by dipping titanium sheet in the solution containing different composition of molybdenum oxide, ammonium vanadate, ammonia, glycol and oxalic acid, and coated films are reacted with free ammonia. The results show that the specific capacitance of modified electrode was considerably increased and the operation voltage was broadened with the addition of ammonium vanadate in the dipping solution. The mechanism of these effects generated is the formation of …

Bulk And Interfacial Properties Of Quadrupolar Fluids, V.B. Warshavsky, Xiao Cheng Zeng

Xiao Cheng Zeng Publications

We extend Teixeira and Telo da Gama’s density-functional approach [J. Phys.: Condens. Matter 3, 111 (1991)] to study the vapor–liquid phase equilibria and planar interfacial properties of quadrupolar fluids. The density profile, surface ordering, surface polarization, and surface tension of quadrupolar fluids are evaluated. Particular attention is given to the temperature and quadrupole-strength dependence. It is found that the interfacial molecular ordering can arise entirely due to the quadrupole–quadrupole interaction. It is also found that the bulk-phase properties of the quadrupolar fluids satisfy the law of correspondence states. The reduced surface potential and surface tension can be well correlated by …

Development Of A Systems Engineering Model Of The Chemical Separations Process: Quarterly Progress Report 5/16/02- 8/15/02, Yitung Chen, Randy Clarksean, Darrell Pepper

Separations Campaign (TRP)

Two activities are proposed in this Phase I task: the development of systems engineering model and the refinement of the Argonne code AMUSE (Argonne Model for Universal Solvent Extraction). The detailed systems engineering model is the start of an integrated approach to the analysis of the materials separations associated with the AAA Program. A second portion of the project is to streamline and improve an integral part of the overall systems model, which is the software package AMUSE. AMUSE analyzes the UREX process and other related solvent extraction processes and defines many of the process streams that are integral to …

Metal Ion Separation Mediated By Organized Molecular Assemblies, Hong Cao

Masters Theses

We have investigated the separation of Co(II), Ni(II), Cu(II) and Zn(II) by the ligands 8-hydroxyquinoline- 5-sulfonic acid and 7-iodo-8-hydroxy-quinoline- 5-sulfonic acid in the presence of the anionic surfactant sodium dodecyl sulfate (SDS) and the cationic surfactant octyltrimethylammonium bromide (OTAB) . Baseline separations have been achieved by HPLC employing an octadecylsilanized silica (ODS) column. The underlying mechanisms of separation have been determined.

The significant new results of our studies are: (1) separation is not possible without the presence of surfactants and hence organized assemblies; (2) separations can be achieved under submicellar concentrations; (3) the separations are not driven by micelles; and …

The Biophysical Basis Of Triplet Repeat Dna Expansion In Genetic Disease, Anthony M. Paiva

Seton Hall University Dissertations and Theses (ETDs)

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Corrosion Of Steel By Lead Bismuth Eutectic: Quarterly Report For May-June-July 2002, John Farley

Transmutation Sciences Materials (TRP)

The goal of this project is to understand the basic science of corrosion in the steel/LBE system.

We are taking more data, typically using the newly installed X-ray Photoelectron Spectrometry (XPS) apparatus, and analyzing our existing data. Undergraduate students Denise Parsons and Julia Manzerova have helped a great deal in the analysis of the data. We can obtain the elemental composition as a function of position within the sample. This gives clues to the migration of materials, the composition of the protective oxide layer, and the basic science of the corrosion process. We found dramatic differences between the exposed and …

The 1.20 Å Resolution Crystal Structure Of The Aminopeptidase From Aeromonas Proteolytica Complexed With Tris: A Tale Of Buffer Inhibition, William Desmarais, David L. Bienvenue, Krzysztof P. Bzymek, Richard C. Holz, Gregory A. Petsko, Dagmar Ringe

Chemistry Faculty Research and Publications

The aminopeptidase from Aeromonas proteolytica (AAP) is a bridged bimetallic enzyme that removes the N-terminal amino acid from a peptide chain. To fully understand the metal roles in the reaction pathway of AAP we have solved the 1.20 Å resolution crystal structure of native AAP (PDB ID = 1LOK). The high-quality electron density maps showed a single Tris molecule chelated to the active site Zn²⁺, alternate side chain conformations for some side chains, a sodium ion that mediates a crystal contact, a surface thiocyanate ion, and several potential hydrogen atoms. In addition, the high precision of the atomic …