Physical Chemistry Commons^™

Errata For Manuscript #34, Carl W. David, Jan Siroky

Chemistry Education Materials

An error in manuscript 34 of this collection concerning the Laplacian in spherical polar coordinates is corrected.

A Label-Free Immunosensor Based On K3[Fe(Cn)6] And Aldehyde-Functionalized Pyridinium, Xia Hu, You-Ming Shen, Guang-Yu Shen

Journal of Electrochemistry

A novel aldehyde-functionalized pyridinium was successfully synthesized. Using K₃[Fe(CN)₆] as a redox species modified on the surface of the electrode through Poly(diallyldimethylammonium chloride), we developed a label-free immunosensor based on aldehyde-functionalized pyridinium that was applied to simplify antibody immobilization on the electrode surface, in which no additional chemical cross-linking was required. In addition, the introduction of K₃[Fe(CN)₆] on the surface of electrode avoided the use of other redox species in the electrolyte solution. Under the optimal experimental conditions, differential pulse voltammetry (DPV) signals corresponding to different α-Fetoprotein (AFP) concentrations were measured. After …

One-Step Co-Deposition Of Zsm-5/Pani/Pss Electroactive Film And Its Kinetics Characteristics Of Electrochemical Control Selective Separation For Pb2+ Ions, Wen-Lei Qiao, Xiao Du, Feng-Feng Gao, Jun-Lan Zheng, Sha-Sha Li, Xiao-Gang Hao

Journal of Electrochemistry

A novel electroactive composite film consisting of ZSM-5/polyaniline/polystyrene sulfonate(ZSM-5/PANI/PSS) was prepared by double pulse one step co-deposition method. The ZSM-5/PANI/PSS composite film was characterized by FT-IR, SEM, XRD, and XPS techniques. The highly crystalline nano-ZSM-5 was synthesized by hydrothermal method, which could be evenly dispersed in aqueous solution by ultrasonic treatment. The synthesis condition of composite film was optimized through changing the pH value of solution. The ZSM-5/PANI/PSS composite film showed higher adsorption capacity for Pb²⁺ ions. Langmuir model was applied to analyze the adsorption process. The adsorption capacity of composite film for Pb²⁺ ions was 235 mg·g …

Numerical Simulation Of Output Performance In Pemfc, Xin Luo, Shi-Zhong Chen, Yu-Hou Wu

Journal of Electrochemistry

The COMSOL software was used to analyze the output performances in proton exchange membrane fuel cell(PEMFC) under three kinds of flow fields. Under the same operating conditions, the performance differences among single serpentine flow field, interdigitated flow field and mixed flow field are compared, and the causes of the differences in the output performances of PEMFC under three kinds of flow fields were analyzed. The simulation results showed that the output performance of the mixed flow field was the best, the output performance of the interdigitated flow field the second and the output performance of single serpentine flow field the …

Synthesis And Electrochemical Properties Of Li3V2(Bo3)3/C Anode Materials For Lithium-Ion Batteries, You Wang, Yi-Wen Zeng, Xing Zhong, Xing Liu, Quan Tang

Journal of Electrochemistry

The Li₃V₂(BO₃)₃/C (LVB/C) composite materials were successfully synthesized in two steps:Firstly, a stoichiomertric mixture of Li₂C₂O₄, V₂O₅, H₃BO₃, H₂C₂O₄•H₂O and ethanol was thoroughly ball-milled to get the precursors. Secondly, the precursors were post-calcinated to get the ultimate products. The calcination temperatures of 750 ℃, 800 ℃ and 850 ℃ were selected based on TG-DTA analyses. The crystal structures, surface morphologies and carbon contents of the samples calcinated at five conditions, …

Electrochemical Performance Of Moo2-C Composite Coatings, Quan-Yi Li, Qi Yang, Yan-Hong Zhao

Journal of Electrochemistry

The molybdenum dioxide-carbon(MoO₂-C)composite coatings on the surface of Cu foils were prepared by simple knife coating route and followed by sintering in vacuum. The morphology, composition, structure and electrochemical performance of the MoO₂-C composite coatings were investigated. The results demonstrated that the MoO₂-C composite coatings consist of MoO₂ nano-particles with monoclinic crystal structure and amorphous carbon. Some MoO₂ nano-particles with a size range of 5-30nm were loaded on the surface of carbon matrices; while some MoO₂ nano-particles with a size of ~5nm were encapsulated inside. The composite coatings showed porous structure …

Preparation Of Ni(Dpim)2Cl2 Complex For The Electrocatalytic Reduction Of Co2, Li-Pu Zhang, Dong-Fang Niu, Xin-Sheng Zhang

Journal of Electrochemistry

A new Ni(dpim)₂Cl₂complex using 2-(diphenylphosphino)-1-methylimidazole (dpim) as ligand was prepared and served as a catalyst for the electrochemical reduction of CO₂. The electrochemical redox behavior of Ni(dpim)₂Cl₂ in CH₃CN/TPABF₄ solution under nitrogen atmosphere showed the two-electron irreversible reduction at -0.7 V and one-electron quasi-reversible reduction at -1.3 V. After bubbling CO₂ into the electrolyte, the reduction peak appeared at -1.3 V became irreversible and the peak current increased from 0.48 mA·cm^-2 to 0.55 mA·cm^-2. Moreover, the peak current at -1.3 V could further increase …

Preparation Of Co3O4/Ti Electrocatalytic Membrane Electrode For Catalytic Oxidation Of Benzyl Alcohol, Yu-Mei Zheng, Zhen Yin, Hong Wang, Jian-Xin Li

Journal of Electrochemistry

The cobalt oxide(Co₃O₄) nanoparticles were loaded on microporous Ti membrane to prepare Co₃O₄/Ti electrocatalytic membrane electrode by dip-coating method. The microstructures and electrochemical properties of Co₃O₄/Ti electrocatalytic membrane were investigated. The Co₃O₄/Ti electrocatalytic membrane reactor (ECMR) assembled by using the Co₃O₄/Ti electrocatalytic membrane as an anode was adopted for catalytic oxidation of benzyl alcohol to produce benzaldehyde and benzoic acid.The effects of different operation parameters on benzyl alcohol conversion, and selectivity to benzaldehyde and benzoic acid of ECMR were studied. …

Electrochemical Oxidation Of P-Chlorophenol On Porous Ti/Bdd Electrode Cooperated With Cathode Dechlorination, Rong-Ling Chen, Wei-Min Huang, Ya-Peng He, Jun Shi, Hai-Bo Lin

Journal of Electrochemistry

The electrochemical oxidation of p-chlorophenol on porous Ti/BDD electrode cooperated with synergistic effect of cathode dechlorination was studied. Electrochemical degradation tests of p-chlorophenol were conducted in single and double compartment electrolytic cells separately, and the results showed that the mineralization happened mainly in the anode region. The product of chloride ions produced from the cathodic reduction of 4-chlorophenol in the single cell migrated to the anode region and further generated active chlorine toward electro-catalytic oxidation. At the same time, the chloride ion produced from the cathode of the double cell was difficult to be migrated to the anode region, which …

Preparation And Properties Of Manganese Oxide And Polyaniline-Carbon Composite Electrode, Tian-Tian Zhou, Bing Wu, Chao Deng, Ying Gao

Journal of Electrochemistry

The polyaniline-carbon (PAnC) electrode was prepared by the polymerization of aniline monomer and activated carbon in ice water bath, and followed by chemical deposition of manganese dioxide MnO₂-PAnC composite material. The specific capacitance of MnO₂-PAnC reached 459 F•g^-1. The cyclic voltammetric results showed a small deformation in the voltammogram curve obtained with the MnO₂-PAnC electrode at high scan rate, indicating good reversibility and capacitive properties. The AC impedance results revealed that the MnO₂-PAnC electrode displayed the smallest charge transfer resistance and the fastest diffusion
rate of surface ions than other …

Preparations And Corrosion Protection Investigations Of Diethylene Triamine Penta(Methylene Phosphonic Acid)-Zn2+ Conversion Coatings On Cold Rolled Steel Substrates, Wei He, Ru Yan, Ying-Qi Wang, Xiang Gao, Hou-Yi Ma

Journal of Electrochemistry

Novel diethylene triamine penta(methylene phosphonic acid) (DTPMPA)-zinc ion (Zn²⁺) conversion coatings with uniform blue color and excellent corrosion protection were directly formed on the cold rolled steel (CRS) substrates by immersing a CRS plate into the film-forming solutions containing the appropriate concentrations of DTPMPA and Zn²⁺ ion at the proper pH. In this paper, surface morphologies and elemental compositions of DTPMPA-Zn²⁺ conversion coatings were characterized by SEM and EDS, respectivey. The surface functional groups, chemical constituents and binding modes to the substrates were investigated by means of FTIR and XPS methods. The influences of DTPMPA concentrations …

Simulation Analysis In Dynamic Performance Of Proton Exchange Membrane Fuel Cell Under Starting Condition, Yan Xiao, Ying-Jie Chang, Wei Zhang, Qiu-Hong Jia

Journal of Electrochemistry

Based on the equivalent circuit model, by considering both the dynamic gas pressure model and the dynamic heat transfer model, a lumped parameter model is developed. The start process of the fuel cell is simulated by using SIMULINK software. The undershoot of the voltage is observed from the simulation results, and the response time of the voltage is basically the same as that of the fuel cell temperature, which indicates that the temperature has great influence on the dynamic performance of the fuel cell. From the perspective of the temperature, the dynamic responses of the thermodynamic potential, the activation overvoltage, …

Interaction Between Energy And Electrocatalysis —— A Review On The 1st Young Scientist Forum On Energy Electrocatalysis, Hong Li, Wen-Bin Cai

Journal of Electrochemistry

No abstract provided.

Effects Of Rotating Magnetic Fields On Pem Fuel Cell Performance, Mao-Liang Wu, En-Ze Wang, Guang-De Pan, Zhong-Jun Liu, Fei Xie

Journal of Electrochemistry

Proton Exchange Membrane (PEM) fuel cell performance may be improved by application of additional magnetic fields. In this work, one square permanent magnet, made of either 16 combination cylinder magnets with homopolarity or 16 combination cylinder magnets with heteropolarity, was exerted on the fuel cell surface to produce additional magnetic field affecting PEM fuel cell performance. The influences of magnetic field status (rotating, static and none) on polarization and power density curves measured in a PEM fuel cell were investigated. The results verified the benefit of magnetic field, proving that the magnetic field distribution could improve the fuel cell output. …

Quantum Chemical Analysis Of Stable Noble Gas Cations For Astrochemical Detection, Carlie M. Novak

Honors College Theses

The search for possible, natural, noble gas molecules has led to quantum chemical, spectroscopic analysis of NeCCH+, ArNH+ ArCCH+, and ArCN+. Each of these systems have been previously shown to be a stable minimum on its respective potential energy surface. However, no spectroscopic data are available for laboratory detection or interstellar observation of these species, and the interstellar medium may be the most likely place, in nature, where these noble gas cations are found. The bent shape of NeCCH+ is confirmed here with a fairly large dipole moment and a bright C -- H stretching frequency at 3101.9 cm^{-1 …}

Evaluation Of Vaporization Enthalpies And Vapor Pressures Of Various Aroma And Pharmacologically Active Compounds By Correlation Gas Chromatography, Daniel Simmons

Theses

Scientists in the pharmaceutical, food, and aroma industries can benefit from reliable thermochemical data. Vaporization enthalpy and vapor pressure data are not available for all compounds. Furthermore, some literature data is conflicting. The goal of this work was to use a method called correlation gas chromatography (CGC) to generate reliable vaporization enthalpy data in instances where other experimental methods are not applicable. Vapor pressures of the targets were also calculated in cases where the required literature data on the standards used in this technique were available.

CGC involves making a standard cocktail that includes a mixture of standards and one …

From Flasks To Applications: Design And Optimization Of Giant Quantum Dots Using Traditional And Automated Synthetic Methods, Christina J. Hanson

Nanoscience and Microsystems ETDs

Semiconducting nanocrystals, also known as quantum dots (QDs), that emit light with near-unity quantum yield and are extremely photostable are attractive options as down-conversion and direct electricity-to-light materials for a variety of applications including solid-state lighting, display technologies, bio-imaging and optical tracking. Standard QDs with a core/thin shell structure display fluorescence intermittency (blinking) and photobleaching when exposed to prolonged room temperature excitation for single dot measurements, as well as significant reabsorption and energy transfer when densely packed into polymers or at high solution concentrations.

We have developed thick shell “giant” QDs (gQDs), ultra-stable photon sources both at the ensemble and …

Alkyne Combustion: Experimental And Computational Studies Of Formyl Radical Production, Matthew Charles Drummer

Theses and Dissertations

The United States consumed a total of 97.4 trillion BTUs of energy in 2016 with over 80% of that energy consumption source being fossil fuel combustion. Before a combustion reactions reaches its end products, a number of intermediate products form and may react with other abundant atmospheric species to form aerosol particles and acid rain, both of which have potentially negative impacts on both human-made structures and the natural environment.

In an effort to counteract the consequences of fossil fuel combustion, scientists are interested in understanding the reaction mechanisms of hydrocarbon combustion reactions to understand which intermediate products form and …

Secondary Electronic And Solvent Effects On Regiospecific P-Bromination Of Aromatic Systems, Selahaddin Gumus

Masters Theses & Specialist Projects

Bromoarenes are important aromatic building blocks that are commonly used to synthesize various functional compounds in pharmaceutical, agrochemical and related industries.^1,2 This great demand for bromoarenes makes their preparation a widely studied area of synthetic organic chemistry. However, further understanding of the reactivity and regiochemistry of aromatic functionalization reactions is still necessary, as much about the secondary substitution and solvent effects remain unknown.

Resonance Theory is a widely used theoretical model to predict the regiospecifity and reactivity of the bromination of various aromatic compounds.³ The reactivity and regiospecificity of many substituted aromatic compounds is well explained using resonance …

Temperature And Electric Field Dependency Of Asymmetric Stretching Of Nitrate And Carbonate Ions, Konnor Jones

Masters Theses & Specialist Projects

Photolysis of nitrate ion in the natural environment produces NO, NO2, and O3, releasing these toxic gases into the atmosphere. Work done by other groups has shown ionic strength dependence of the ratio of products from photolysis of aqueous nitrate ion. To better understand the kinetic mechanisms of nitrate photolysis, the effects that ionic strength in solution have on nitrate ion symmetry breaking are needed. Different solvation environments induce nitrate bonding motifs that may be correlated to the product ratio. Fourier-transform infrared spectra of aqueous nitrate–ion solutions were obtained over a range of temperatures for several total electrolyte concentrations. The …

Preparation And Characterization Of Titanate-Phosphate Passivation Film On Tinplate, Zi-Yu Wang, Ming-Hao Wang, De-Yu Li, Ning Li

Journal of Electrochemistry

A passivation film was prepared on tinplate surface with a composite passivating agent made of titanate and phosphate. The surface morphologies, chemical compositions and corrosion resistances of the passivation films were characterized by scanning electron microscopy (SEM), X-ray photoelectron spectroscopy (XPS), salt spray test, Tafel polarization measurement and electrochemical impedance spectroscopy (EIS). The results were compared with those films untreated and treated with titanate or phosphate passivation. It was shown that the titanate and phosphate passivation film was mainly composed of Ti₃(PO₄)₄·nH₂O and TiO₂. The finely crystallized surface could seal …

Preparation And Properties Of Nanocrystalline Nickel By Pulse Electrodeposition On Glassy Carbon, Ya-Li Zhang, Ming-Xian Zhang, Teng-Da Guo, Yan-Jie Zhao, Sheng-Xue Yu

Journal of Electrochemistry

Nanocrystalline nickel exhibits electrocatalytic activity for methanol. In this work, nanocrystalline nickel coating has been obtained by using the double pulse method on glassy carbon materials surface. The influence of pulse conditions on the grain size of nanocrystalline nicke was studied. The concentrations and compositions of the plating bath were  300 g·L^-1 NiSO₄·6H₂O,45 g·L^-1 NiCl₂·6H₂O,40 g·L^-1 H₃BO₃,5 g·L^-1 C₇H₅NO₃S,and 0.05 g·L^-1 C₁₂H₂₅NaO₄S. The optimal pulse process parameters including the average pulse …

Synthesis And Electrochemical Properties Of Nickel-Rich Cathode Material Lini0.6Co0.2Mn0.2O2 With High Initial Coulombic Efficiency, Xiao-Yun Guan, Chao-Yu Hong, Jian-Ping Zhu, Wei-Li Wang, Yi-Xiao Li, Yong Yang

Journal of Electrochemistry

Nickel-rich cathode materials LiNi_0.6Co_0.2Mn_0.2O₂(NCM622)were synthesized by a co-precipitation-solid state sintering method at different temperatures. The structure, morphology and electrochemical performance of the as-prepared materials were investigated by X-ray powder diffraction (XRD) /Rietveld refinement, scanning electron microscope (SEM) and electrochemical experiments. It is found that NCM622 calcined at 800 ℃ showed the lowest degree of cation disorder (~1.97%) with a high initial Coulombic effiency of 92.2% and the capacity retention of 81.4% after 100 cycles.

Electrodeposition Of Cigs Thin Film With Special Structure Using Laser Etching Template, Jin-Zhi Yu, Ye Lian, Jin-Qiu Zhang, Pei-Xia Yang, Mao-Zhong An

Journal of Electrochemistry

Copper indium gallium selenide (Cu_1.00In_xGa_1-xSe_2.00, CIGS) thin film solar cells have a wide application in semiconductor thin film batteries. The CIGS absorbing layer is the key of the thin film solar cell material. Therefore, it is of theoretical and practical significance to carry out researches in CIGS thin films. In this work, the CIGS thin films with special structures were prepared by using laser etching template. The copper thin film was firstly electrodeposited in aqueous solution with Laser etching template. The influences of temperature, current and concentration of copper sulfate on morphology …

An Electrochemical Investigation In The Anticorrosive Properties Of Silver Nanoparticles For The Acidic Corrosion Of Aluminium, H. A. Fetouh, B. A. Abd-El-Nabey, Y. M. Goher, M. S. Karam

Journal of Electrochemistry

The mass loss, potentiodynamic polarization and electrochemical impedance spectroscopy (EIS) techniques were used for the determinations of the corrosion rates for aluminium in 1.0 mol·L^-1 hydrochloric acid (HCl) solutions both in the absence and presence of silver nanoparticles (SNPs) at 30 ℃. The protection efficiency was evaluated to be 96.4% for 0.014 g·L^-1 of the SNPs. It has been found that the capacity of the electrical double layer at the aluminium/solution interface was decreased with increasing the concentration of the SNPs, indicating that the SNPs were adsorbed at the aluminium surface. The Langmuir adsorption isotherm and the kinetic-thermodynamic …

Preface For Special Issue On Electroplating And Surface Finishing, Mao-Zhong An

Journal of Electrochemistry

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Superhydrophobic Surface On Aluminum Alloy By Hydrothermal Method And Its Electrochemical Performance, Xiao-Hang Chen, Mo-Jing Chen, Yu-Lin Min, Qun-Jie Xu

Journal of Electrochemistry

Superhydrophobic film formed on a metal surface is an effective way for corrosion protection. In this paper, the superhydrophobic film was prepared on the surfaces of aluminum alloy by hydrothermally treating with a solution containing CeCl₃·7H₂O and CO(NH₂)₂ , and a self-assemble process. The electrochemical measurements and surface morphology results confirmed that the best superhydrophobicity and electrochemical performance could be achieved with the contact angle of 155.5^o after six hours of hydrothermal reaction. Furthermore, the inhibition efficiency of 99.6% was obtained in 3.5 wt% NaCl aqueous solution, indicating the excellent corrosion resistance …

Intrinsic Kinetic Properties Of Ternary Material For Lithium Ion Batteries Assessed By Single Particle Microelectrode, Yi-Min Wei

Journal of Electrochemistry

Electrochemical performances such as capacity, rate, cycle and thermal stability of the nickel (Ni), cobalt (Co) and manganese (Mn) ternary cathode material, LiNi_xCo_yMn_zO₂ (x + y + z = 1), are significantly influenced by the proportion of Ni, Co, and Mn elements. To obtain higher specific capacity, LiNi_0.6Co_0.2Mn _0.2O₂ (NCM622) and LiNi_0.8Co_0.1Mn_0.1O₂ (NCM811) with high amounts of Ni element were employed for the lithium ion batteries. By now, many studies have been focusing on the thermal and cycling stabilities of …

Preparation And Electrocatalytic Activity Of Nitrogen-Doping Tungsten Carbide Catalyst, Pian-Pian Yang, Li-Zhen Huang, Ying-Ying Li, Mei-Qin Shi, Chun-An Ma

Journal of Electrochemistry

Tungsten carbide (WC) is a promising electrocatalyst, however, its electrocatalytic activity is far inferior to Pt and Pt-group metal. In this work, nitrogen-doping tungsten carbide (WN|WC) catalysts with a nanoplate morphology were prepared via the tungsten nitride (WN) as the precursor and sodium tungstate as the tungsten source. The SEM and TEM results indicated that carbon atoms entered into the WN lattice to form the hexagonal close packed WC phase. In this way, an atomic scale heterostructure involving the closely linked interfaces between WN and WC was created . The XRD data confirmed that the cubic crystal structure of WN …

Deposition Mechanism And Coating Characterization For The Trivalent Chromium Electrodeposition In Sulphate Electrolyte, Hui Yan, Shuai-Shuai Huang, Fang-Zu Yang, Zhong-Qun Tian, Shao-Min Zhou

Journal of Electrochemistry

Linear sweep voltammetry (LSV) and cyclic voltammetry (CV) were used to study the electrodeposition mechanism of trivalent chromium on a copper electrode in the novel sulphate electrolyte for thick trivalent chromium plating. The thickness, morphology, composition, microhardness, and structure, as well as the corrosion resistance in 3.5wt% NaCl solution of the trivalent chromium coatings were investigated by X-ray fluorescence gage, scanning electron microscopy (SEM), energy dispersive spectroscopy (EDS), microhardness tester, X-ray diffraction (XRD) and Tafel curve measurements. The results showed that the electrodeposition of trivalent chromium involved two consecutive one electron reduction steps. The first step, Cr³⁺ + e …