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Articles 121 - 150 of 191
Full-Text Articles in Physical Chemistry
Controlling Rotational Quenching Rates In Cold Molecular Collisions, James F.E. Croft, Balakrishnan Naduvalath
Controlling Rotational Quenching Rates In Cold Molecular Collisions, James F.E. Croft, Balakrishnan Naduvalath
Chemistry and Biochemistry Faculty Research
The relative orientation and alignment of colliding molecules plays a key role in determining the rates of chemical processes. Here, we examine in detail a prototypical example: rotational quenching of HD in cold collisions with H2. We show that the rotational quenching rate from j = 2 → 0, in the v = 1 vibrational level, can be maximized by aligning the HD along the collision axis and can be minimized by aligning the HD at the so called magic angle. This follows from quite general helicity considerations and suggests that quenching rates for other similar systems can also be …
High Resolution Near-Infrared/Visible Intracavity Laser Spectroscopy Of Small Molecules, Jack Harms
High Resolution Near-Infrared/Visible Intracavity Laser Spectroscopy Of Small Molecules, Jack Harms
Dissertations
Intracavity laser spectroscopy has been used to study the electronic structure of several small molecules. The molecules studied as part of this dissertation include germanium hydride (GeH), copper oxide (CuO), nickel chloride (NiCl), platinum fluoride (PtF), platinum chloride (PtCl), and copper hydroxide (CuOH). This work encompasses five peer-reviewed publications and two submitted manuscripts.
Mechanistic Studies And Derivative Effects In 1, 3, 4- Oxadiazole Synthesis Via Cyclodehydration Reactions, Evan Huggins
Mechanistic Studies And Derivative Effects In 1, 3, 4- Oxadiazole Synthesis Via Cyclodehydration Reactions, Evan Huggins
Undergraduate Honors Thesis Projects
In the world of pharmaceutical synthesis, research to combat foreign pathogens is always necessary. Scientists have been exploring different methods in order to synthesize the most effective compounds in antibacterial, anticancer, anti-inflammatory, and many other treatments. A key component within these versatile compounds are 1,3,4-oxadiazoles. Current methods to synthesize these compounds are inefficient. This research seeks to improve oxadiazole synthesis; however, the mechanism of this reaction is unknown. The goal of this project was to study the mechanistic pathway in the discovered, one-pot cyclodehydration synthesis of 1,3,4-oxadiazoles. In the first part of this study, a diacylhydrazine intermediate was proposed. This …
Quantitative Analysis Of Iron In Beer Using Cloud Point Extraction, Joshua Rempfer
Quantitative Analysis Of Iron In Beer Using Cloud Point Extraction, Joshua Rempfer
Student Scholar Showcase
Determination of Iron concentration in Apocalypse Ale beer using a preconcentration method coupled with UV-Vis spectroscopy. Samples will be cross checked with MP-AES to ensure precise and accurate results.
Drug Improvement And Design Involving G-Protein Coupled Receptors, Gabriel Saliba
Drug Improvement And Design Involving G-Protein Coupled Receptors, Gabriel Saliba
Chemistry & Biochemistry Student Projects
No abstract provided.
A Chemical Overview Of Opioid Receptors And Their Agonists, Noah Kuszak
A Chemical Overview Of Opioid Receptors And Their Agonists, Noah Kuszak
Chemistry & Biochemistry Student Projects
This work is a brief overview of the three main opioid receptors and some current research of the ways we can change the agonists and how they affect the opioid receptor pathway.
Dentin Biomodification Potency Of Proanthocyanidins, David J. Ryker
Dentin Biomodification Potency Of Proanthocyanidins, David J. Ryker
Chemistry & Biochemistry Student Projects
No abstract provided.
Revisiting Volumes Of Lipid Components In Bilayers, John F. Nagle, Richard M. Venable, Ezekiel Maroclo-Kemmerling, Stephanie Tristram-Nagle
Revisiting Volumes Of Lipid Components In Bilayers, John F. Nagle, Richard M. Venable, Ezekiel Maroclo-Kemmerling, Stephanie Tristram-Nagle
University Faculty Publications and Creative Works
In addition to obtaining the highly precise volumes of lipids in lipid bilayers, it has been desirable to obtain the volumes of parts of each lipid, such as the methylenes and terminal methyls on the hydrocarbon chains and the head group. Obtaining such component volumes from experiment and from simulations is re-examined, first by distinguishing methods based on apparent versus partial molar volumes. Although somewhat different, both these methods give results that are counterintuitive and that differ from results obtained by a more local method that can only be applied to simulations. These comparisons reveal differences in the average methylene …
The Effects Of Reactant Concentration And Air Flow Rate In The Consumption Of Dissolved O2 During The Photochemistry Of Aqueous Pyruvic Acid, Alexis J. Eugene, Marcelo I. Guzman
The Effects Of Reactant Concentration And Air Flow Rate In The Consumption Of Dissolved O2 During The Photochemistry Of Aqueous Pyruvic Acid, Alexis J. Eugene, Marcelo I. Guzman
Chemistry Faculty Publications
The sunlight photochemistry of the organic chromophore pyruvic acid (PA) in water generates ketyl and acetyl radicals that contribute to the production and processing of atmospheric aerosols. The photochemical mechanism is highly sensitive to dissolved oxygen content, [O2(aq)], among other environmental conditions. Thus, herein we investigate the photolysis (λ ≥ 305 nm) of 10–200 mM PA at pH 1.0 in water covering the relevant range 0 ≤ [O2(aq)] ≤ 1.3 mM. The rapid consumption of dissolved oxygen by the intermediate photolytic radicals is monitored in real time with a dissolved oxygen electrode. …
Control Strategies For Multi-Evaporator Vapor Compression Cycles, Sunderlin D. Jackson
Control Strategies For Multi-Evaporator Vapor Compression Cycles, Sunderlin D. Jackson
Theses and Dissertations
Next-generation military aircraft must be able to handle highly transient thermal loads that exceed the ability of current aircraft thermal subsystems. Vapor compression cycle systems are a particular refrigeration technology that is an attractive solution for dealing with this challenge, due primarily to their high efficiency. However, there are several barriers to realizing the benefits of vapor cycles systems for controlling thermal loads in military aircraft. This thesis focuses on addressing the challenge of controlling vapor cycles in the presence of highly transient evaporator heat loads. Specifically, a linear quadratic regulator (LQR) is designed for a simple vapor cycle system, …
Recycling Aluminum, Steffani Burwitz, Kristin M. Roe, Matthew L. Miller, Madhav P. Nepal, Larry B. Browning, P. Troy White
Recycling Aluminum, Steffani Burwitz, Kristin M. Roe, Matthew L. Miller, Madhav P. Nepal, Larry B. Browning, P. Troy White
iLEARN Teaching Resources
Students will investigate and compare the energy cost to produce aluminum products from aluminum ore and recycled aluminum. Students will perform an electrolysis activity to reinforce the idea that recycling metal requires less energy than mining and refining metals from their original source in the earth.
The Application Of The Gibbs Phase Rule And Critical Point University To Predict Critical Effects In Solid Liquid Phase Equilibria, Xingjian Wang
The Application Of The Gibbs Phase Rule And Critical Point University To Predict Critical Effects In Solid Liquid Phase Equilibria, Xingjian Wang
Research Horizons Day Posters
No abstract provided.
Extraction Of Acids And Bases From Aqueous Phase To A Pseudoprotic Ionic Liquid, Nikolas Patsos, Karin Lewis, Francesco Picchioni, Mark N. Kobrak
Extraction Of Acids And Bases From Aqueous Phase To A Pseudoprotic Ionic Liquid, Nikolas Patsos, Karin Lewis, Francesco Picchioni, Mark N. Kobrak
Publications and Research
We report experiments on the extraction of acids and bases from an aqueous phase to a pseudoprotic ionic liquid phase consisting of an equimolar mixture of trihexylamine and octanoic acid. We observed the extraction of a wide range of acids and bases, and investigated the mechanism of extraction in detail. Our results confirmed the observation of the Hofmeister effect in these systems reported in our previous work, where the extent of the extraction of copper salts was significantly influenced by the interactions between extracted inorganic anions and the organic phase. Our results further demonstrated that the organic layer served as …
Current Status And Prospect Of Battery Configuration In Li-S System, Jia-Hang Chen, Hui-Jun Yang, Cheng Guo, Jiu-Lin Wang
Current Status And Prospect Of Battery Configuration In Li-S System, Jia-Hang Chen, Hui-Jun Yang, Cheng Guo, Jiu-Lin Wang
Journal of Electrochemistry
Commercial lithium-ion batteries (LIBs) are incapable of satisfying the increasing demand for emerging electronic devices due to their limited energy density. Among the next-generation batteries, lithium-sulfur (Li-S) batteries are becoming a promising energy-storage system due to their high theoretical energy density and natural abundance of sulfur. However, the shuttle of soluble polysulfide intermediates between two electrodes, as well as the problem on Li metal anode,lower the utilization of active material and lead to the loss of specific capacity and rapid capacity fading. All the above challenges limit the further application of Li-S batteries. Recently, various novel battery configurations have been …
Recent Progress On Tio2-Based Anode Materials For Sodium-Ion Batteries, Si-Tian Lian, Jian-Shuai Lv, Qiang Yu, Guang-Wu Hu, Zhuo Chen, Liang Zhou, Li-Qiang Mai
Recent Progress On Tio2-Based Anode Materials For Sodium-Ion Batteries, Si-Tian Lian, Jian-Shuai Lv, Qiang Yu, Guang-Wu Hu, Zhuo Chen, Liang Zhou, Li-Qiang Mai
Journal of Electrochemistry
Titanium dioxide (TiO2) represents a stable, low-cost, and nontoxic anode material for sodium-ion batteries (SIBs). However, the low electrical conductivity limits its electrochemical activity (specific capacity) and rate capability, hindering its widespread applications. In this article, we show that different crystal forms of TiO2 have different pore structures, resulting in the distinct sodium storage capacities. Accordingly, the article introduces how TiO2 microstructures influence sodium storage. The nanoparticle structure can improve the rate performance of the material due to its short ion diffusion distance, and the internal cavity of the hollow structure is beneficial to cycle stability. …
Recent Progress In Vanadium-Based Electrode Materials, Meng-Lei Sun, Da-Qi Zhang, Jin-Kui Feng, Jiang-Feng Ni
Recent Progress In Vanadium-Based Electrode Materials, Meng-Lei Sun, Da-Qi Zhang, Jin-Kui Feng, Jiang-Feng Ni
Journal of Electrochemistry
It is an important solution to solve energy storage problems by developing inexpensive and safe lithium-ion and sodium-ion batteries with superior performance. Vanadium-based electrode materials are promising electrode materials because of diversified chemical valences, open structures and high theoretical capacities. In the past few years, vanadium-based electrode materials such as oxides, sulfides, and phosphates have achieved a considerable development in the battery field, It is, therefore, necessary to summarize their recent research progress. In this review, we particularly highlight the key challenges that are facing in the application of vanadium materials, such as low ion diffusion coefficient and poor structural …
Recent Progress In Key Materials For Room-Temperature Sodium-Ion Batteries, Fan-Fan Wang, Xiao-Bin Liu, Long Chen, Cheng-Cheng Chen, Yong-Chang Liu, Li-Zhen Fan
Recent Progress In Key Materials For Room-Temperature Sodium-Ion Batteries, Fan-Fan Wang, Xiao-Bin Liu, Long Chen, Cheng-Cheng Chen, Yong-Chang Liu, Li-Zhen Fan
Journal of Electrochemistry
Sodium-ion batteries (SIBs) have attracted tremendous attention in large-scale energy storage applications due to their resource advantages. However, Na+ is larger and heavier than Li+, which will limit its reversible reaction with the electrode materials and result in poor electrochemical performance. Thus, developing stable and high-efficiency electrode materials is the key to promoting the practical application of SIBs. Furthermore, the optimization of electrolyte is essential for the construction of high-safety and long-lifespan SIBs. In this review, we mainly summarize the recent advancements of electrode materials and electrolytes for room-temperature SIBs and discuss their challenges and possible resolution strategies. We hope …
Recent Developments In Surface/Interface Modulation And Structure-Performance Relationship Of Cathode Catalysts For Li-Air Batteries, Rui Gao, Jun-Kai Wang, Zhong-Bo Hu, Xiang-Feng Liu
Recent Developments In Surface/Interface Modulation And Structure-Performance Relationship Of Cathode Catalysts For Li-Air Batteries, Rui Gao, Jun-Kai Wang, Zhong-Bo Hu, Xiang-Feng Liu
Journal of Electrochemistry
Lithium-air battery has been considered to be one of the most promising secondary battery systems because of its high energy density. However, the sluggish kinetics of the oxygen reduction reaction (ORR) and oxygen evolution reaction (OER) on the cathode, and the high overpotential, poor cycle stability and low rate capacity have severely blocked the development and application of Li-air battery. One of the effective strategies to alleviate these issues is to develop cathode catalysts for Li-air batteries. The design and development of bifunctional cathode catalysts with high activity and efficiency on both ORR and OER is highly desired for Li-air …
A Comparative Study Of Pre-Lithiated Hard Carbon And Soft Carbon As Anodes For Lithium-Ion Capacitors, Zhao Li, Xian-Zhong Sun, Wen-Jie Liu, Xiong Zhang, Kai Wang, Yan-Wei Ma
A Comparative Study Of Pre-Lithiated Hard Carbon And Soft Carbon As Anodes For Lithium-Ion Capacitors, Zhao Li, Xian-Zhong Sun, Wen-Jie Liu, Xiong Zhang, Kai Wang, Yan-Wei Ma
Journal of Electrochemistry
Lithium-ion capacitor (LIC) has emerged to be one of the most promising electrochemical energy storage devices. Presently, activated carbon (AC) is the mostly used cathode material for LIC. Nevertheless, various carbonaceous materials can be used as anode materials, such as hard carbon (HC) and soft carbon (SC). Therefore, HC and SC with different structural and electrochemical characteristics have been investigated as the anode materials of LICs in this work. Compared with the HC electrode, the SC electrode showed higher electronic conductivity and reversible capacity. The rate capabilities of the two carbonaceous materials as a function of coating thickness have been …
Cvd Preparation And Application Of 3d Graphene In Electrochemical Energy Storage, Yong-Kang Xia, Ming-Yuan Gu, Hong-Guan Yang, Xin-Zhi Yu, Bing-An Lu
Cvd Preparation And Application Of 3d Graphene In Electrochemical Energy Storage, Yong-Kang Xia, Ming-Yuan Gu, Hong-Guan Yang, Xin-Zhi Yu, Bing-An Lu
Journal of Electrochemistry
Three-dimensional (3D) graphene combinations with the excellent intrinsic properties of graphene and the 3D micro/nano porous structures provide a graphene foam with high specific surface area, excellent mechanical strength and fast electron and mass transports. The 3D graphene foam and its composite nanomaterials are widely used in the fields of nano-electronics, energy storage, chemical and biological sensing. The 3D graphene foam prepared by chemical vapor deposition (CVD) method is of high purity and crystallinity. In this review, a brief overview in the CVD preparations of 3D graphene and properties of CVD prepared 3D graphene based nanomaterials in electrochemical energy storage …
Applications Of Advanced Imaging Technologies For Critical Issues Of All-Solid-State Lithium Battery Studies, Yi-Bo Zhao, Hui-Hui Liu, Song-Liang Chen, Shou-Hang Bo
Applications Of Advanced Imaging Technologies For Critical Issues Of All-Solid-State Lithium Battery Studies, Yi-Bo Zhao, Hui-Hui Liu, Song-Liang Chen, Shou-Hang Bo
Journal of Electrochemistry
All-solid-state lithium batteries have attracted much attention for their high energy density and good safety. To increase their efficiency and prolong their service life, it is necessary to achieve high ion conductivity at the electrode/electrolyte interface and in the electrolyte, as well as to eliminate dendrites growth in the battery. Based on the critical requirements outlined above, this paper discusses the applications of advanced imaging technologies in relevant studies. Recent progresses in investigations of all-solid-state lithium batteries by imaging techniques including electron microscopy, scanning probe microscopy, X-ray tomography, magnetic resonance imaging and optical microscopy are summarized.
Synthesis Of Flower-Like Vanadium Disulfide For Lithium Storage Application, Pan Li, Jian Liu, Wei-Yi Sun, Hai-Xia Li, Zhan-Liang Tao
Synthesis Of Flower-Like Vanadium Disulfide For Lithium Storage Application, Pan Li, Jian Liu, Wei-Yi Sun, Hai-Xia Li, Zhan-Liang Tao
Journal of Electrochemistry
In order to improve the electrochemical properties of vanadium disulfide (VS2) as an electrode material in Li-ion battery, the flower-like VS2 was prepared by a one-step hydrothermal method with the addition of polyethylene glycol 400. The phase and morphology of the product were characterized by using X-ray diffraction and field emission scanning electron microscopy. During the growth process, it was observed that the flower-like VS2 was interspersed with several hexagonal vanadium disulfide nanosheets, which had a high specific surface area and excellent structural stability. The flower-like VS2 was used for the cathode material test in …
Ni/Mn3O4/Nimn2O4 Double-Shelled Hollow Spheres Embedded Into Reduced Graphene Oxide As Advanced Anodes For Sodium-Ion Batteries, Chong Yan, Hua-Ri Kou, Bo Yan, Xiao-Jing Liu, De-Jun Li, Xi-Fei Li
Ni/Mn3O4/Nimn2O4 Double-Shelled Hollow Spheres Embedded Into Reduced Graphene Oxide As Advanced Anodes For Sodium-Ion Batteries, Chong Yan, Hua-Ri Kou, Bo Yan, Xiao-Jing Liu, De-Jun Li, Xi-Fei Li
Journal of Electrochemistry
Delicately building the unique nanocomposite with the combination of hollow structure and reduced graphene oxide (rGO) is highly desirable and still remains a great challenge in the field of energy conversion and storage. In this work, Ni/Mn3O4/NiMn2O4 double-shelled hollow spheres coated by rGO (denoted as R-NMN) have been successfully synthetized via one-step rapid solvothermal treatment followed by subsequent annealing for the first time. Served as anodes for sodium ion batteries (SIBs), the R-NMN composite containing 25wt% rGO exhibits a high discharge capacity of 187.8 mAh·g-1 after 100 cycles at 50 mA·g-1 …
Preface On Special Issue Of Next-Generation Secondary Batteries, Zhen Zhou, Quan-Feng Dong
Preface On Special Issue Of Next-Generation Secondary Batteries, Zhen Zhou, Quan-Feng Dong
Journal of Electrochemistry
No abstract provided.
Fundamental Limits Of Measuring Single-Molecule Rotational Mobility, Oumeng Zhang, Matthew D. Lew
Fundamental Limits Of Measuring Single-Molecule Rotational Mobility, Oumeng Zhang, Matthew D. Lew
Electrical & Systems Engineering Publications and Presentations
Various methods exist for measuring molecular orientation, thereby providing insight into biochemical activities at nanoscale. Since fluorescence intensity and not electric field is detected, these methods are limited to measuring even-order moments of molecular orientation. However, any measurement noise, for example photon shot noise, will result in nonzero measurements of any of these even-order moments, thereby causing rotationally-free molecules to appear to be partially constrained. Here, we build a model to quantify measurement errors in rotational mobility. Our theoretical framework enables scientists to choose the optimal single-molecule orientation measurement technique for any desired measurement accuracy and photon budget.
Substrate-Dependent Photoconductivity Dynamics In A High-Efficiency Hybrid Perovskite Alloy, Ali Moeed Tirmzi, Jeffrey A. Christians, Ryan P. Dwyer, David T. Moore, John A. Marohn
Substrate-Dependent Photoconductivity Dynamics In A High-Efficiency Hybrid Perovskite Alloy, Ali Moeed Tirmzi, Jeffrey A. Christians, Ryan P. Dwyer, David T. Moore, John A. Marohn
Faculty Publications
Films of (FA0.79MA0.16Cs0.05)0.97Pb(I0.84Br0.16)2.97 were grown over TiO2, SnO2, indium tin oxide (ITO), and NiO. Film conductivity was interrogated by measuring the in-phase and out-of-phase forces acting between the film and a charged microcantilever. We followed the films’ conductivity versus time, frequency, light intensity, and temperature (233−312 K). Perovskite conductivity was high and light-independent over ITO and NiO. Over TiO2 and SnO2, the conductivity was low in the dark,increased with light intensity, and persisted for 10’s of seconds after the light …
Slips-Teng: Robust Triboelectric Nanogenerator With Optical And Charge Transparency Using A Slippery Interface, Wanghuai Xu, Xiaofeng Zhou, Chonglei Hao, Huanxi Zheng, Yuan Liu, Xiantong Yan, Zhengbao Yang, Michael Leung, Xiao Cheng Zeng, Ronald X. Xu, Zuankai Wang
Slips-Teng: Robust Triboelectric Nanogenerator With Optical And Charge Transparency Using A Slippery Interface, Wanghuai Xu, Xiaofeng Zhou, Chonglei Hao, Huanxi Zheng, Yuan Liu, Xiantong Yan, Zhengbao Yang, Michael Leung, Xiao Cheng Zeng, Ronald X. Xu, Zuankai Wang
Xiao Cheng Zeng Publications
Energy harvesting devices that prosper in harsh environments are highly demanded in a wide range of applications ranging from wearable and biomedical devices to self-powered and intelligent systems. Particularly, over the past several years, the innovation of triboelectric nanogenerators (TENGs) that efficiently convert ambient kinetic energy of water droplets or wave power to electricity has received growing attention. One of the main bottlenecks for the practical implications of such devices originates from the fast degradation of the physiochemical properties of interfacial materials under harsh environments. To overcome these challenges, here we report the design of a novel slippery lubricant-impregnated porous …
Solvation Thermodynamic Mapping In Computer Aided Drug Design, Steven Ramsey
Solvation Thermodynamic Mapping In Computer Aided Drug Design, Steven Ramsey
Dissertations, Theses, and Capstone Projects
The displacement of water from surfaces upon biomolecular recognition and association makes a significant contribution to the free energy changes of these processes. We therefore posit that accurate characterization of local structural and thermodynamic molecular water properties can improve computational model accuracy and predictivity of recognition and association processes. In this thesis, we discuss Solvation Thermodynamic Mapping (STM) methods that we have developed using inhomogeneous fluid solvation theory (IST) to better characterize active site water structural and thermodynamic properties on protein surfaces and the open source tools that we have developed, GIST-CPPTRAJ and SSTMap, which implement these methods which we …
Manori Perera And Problems For Automobiles During Sub-Zero Temperatures, Eric Stock
Manori Perera And Problems For Automobiles During Sub-Zero Temperatures, Eric Stock
Interviews for WGLT
Eric Stock,WGLT Radio, spoke to Professor of Chemistry Manori Perera about the hazards that sub-zero temperatures create for automobiles.
The Van Der Waals Fluid’S Liquid Vapor Coexistence Locus, Using Maxima/Gnuplot, Carl W. David
The Van Der Waals Fluid’S Liquid Vapor Coexistence Locus, Using Maxima/Gnuplot, Carl W. David
Chemistry Education Materials
The Maxima/Gnuplot code for plotting the van der Waals locus of liquid and vapor molar volumes as a function of pressure and temperature (all reduced) is presented.