Browsing by Author "Blumenthal, Rik"

Now showing items 1-18 of 18

Accurate Calculation of Weak Intermolecular Interactions

Waldrop, Jonathan (2019-07-17)

A variety of weak intermolecular interactions is investigated using both high-accuracy and approximate methods. A high accuracy potential energy curve for the interaction of two krypton atoms was produced as a prerequisite ...

Electrochemical/Electrospray-Mass Spectrometric Studies of the Oxidation of Iodide and Cyanide at Gold and Platinum Electrodes as well as Gas Phase Multiply-Charged Fullerene C60 Anions.

Guo, Tan (2005-08-15)

In this dissertation, we introduce a new spherical thin-layer flow cell to interface electrochemistry with electrospray mass spectrometry. The successful applications of the electrochemistry with electrospray mass ...

Exploring intermolecular interactions through Coupled Cluster, Density Functional, and Multireference Symmetry-Adapted Perturbation Theories

Smith, Daniel (2015-12-08)

Intermolecular interactions are computed at successively lower levels of theory to establish the relative accuracy of each level. A set of 21 small molecules was first computed using the CCSDT(Q) level of theory to establish ...

Investigations of Laser Ablation and Laser-Induced-Plasma Ignition of Cyclotrimethylenetrinitramine (RDX)

Sun, Huijiao (2011-01-04)

Performance and sensitivity are two factors almost equally weighed when an explosive is considered in application. With a superb combination of high detonation power and low sensitivity to external stimuli, secondary ...

Investigations of the Counter-Intuitively Short Lifetimes of the Visible Emission from Laser-Induced Plasma from RDX

McMullan, Daniel (2020-05-18)

Abstract Through multiple studies on laser generated plasmas of materials, four phenomena have been curious and unexplainable regarding the non-energetic material polycarbonate (PC) and energetic material ...

Metal Complexation and Extraction Studies of bis-dithiophosphinite Ligands

DeVore, Michael, II (2011-12-06)

Five bis(dithiophosphonite) ligands OR1a-OR3b were synthesized using Lawesson’s Reagent and analogs of Lawesson’s Reagent. Two of the ligands OR2a and OR3a, were used in extraction studies with uranyl nitrate. UV-Vis ...

A microsecond time-resolved spectroscopic study of laser induced plasmas and their interaction with solid materials

Casper, Walter, IV (2015-07-28)

Photon-material interactions are driven by fast chemical and physical phenomena. With enough incident energy, photons are capable of inducing photoionization processes converting the solid material to a plasma. The highly ...

Phospholipid/Aromatic Thiol Hybrid Bilayers

Chao, Li (2016-12-09)

Gold-supported hybrid bilayers comprising phospholipids and alkanethiols have been found to be highly useful in biomembrane mimicking as well as biosensing ever since their introduction by Plant in 1993 (Plant, A. L. ...

Photoreduction of Chlorinated Organic Pollutants Using Solutions or Films of a Polymeric System via a Free Radical Mechanism

Islam, MD (2018-07-27)

Efficient reduction of chlorinated organics took place upon exposure to 350 nm photons in aqueous solutions containing sulfonated poly(ether etherketone), SPEEK, and either poly(vinyl alcohol), PVA, or HCO2H/HCO2- buffers. ...

Plasma Propellant Interactions: RDX Films in Hydrogen, Argon, and Mixed Composition Plasmas

Valliere, Rodney (2013-04-29)

The interaction of the components in electrothermal chemical (ETC) ignition have been studied due to its advantages over conventional ignition. In ETC ignition, a piece of polyethylene replaces the primer found in conventional ...

Polymeric System for Photochemical Generation of H2O2 and Initiator for Photoreduction of Hexavalent Chromium

Lockhart, PaviElle (2014-12-04)

Stimuli responsive polymers (SRPs) have become a technological advancement in areas of materials, pharmaceuticals, and biomedical applications because the polymers can respond to small changes in the environment which can ...

Quantum Chemical Studies and Kinetics of Gas Reactions

Sayin, Hasan (2006-12-15)

Potential energy surfaces and reaction mechanisms were calculated using various computational methods such as density-functional and wave-function methods. High-level computational methods were used to obtain accurate ...

Redox Reactions in Polymeric Systems

Black, James (2011-05-06)

Reduction-Oxidization (redox) reactions performed in polymeric environments resulted in the reversible formation of stable silver nanoparticle and two reductive radicals. The reversible formation of stable silver nanoparticles ...

Reversible and Irreversible Light-Induced Reactions Initiated BY SPEEK/PVA Polymer Systems

Dissanayaka, Radini Himashini (2021-04-13)

Illumination of sulfonated poly(ether etherketone), SPEEK, and polyvinyl alcohol, PVA, in the presence of thionine (Th) results in systems exhibiting reversible redox processes. Efficient reduction of thionine took place ...

Spectral and Electrochemical Study of the Response of Mechanism of Ionphore-Based Polymeric Membranes

Long, Robert (2006-08-15)

Ion-Selective electrodes based on solvent polymeric membranes, typically plasticized poly-(vinyl chloride), are routinely used and fundamental studies on ion transfer mechanisms that dictate their practicality continue. ...

Stable Colloidal Dispersions of Highly Concentrated Thermo-efficient Nanomaterials

Hossain, Mohammad Sharif (2017-02-08)

Phase change materials (PCM) were utilized as solvents to synthesize small particles and stabilize them in those media in order to determine time independent thermal properties of nanostructure-enhanced phase change materials ...

Studies on Laser Ablation of Polymer Coated Propellant Films

Dyachenko, Artem (2006-08-15)

In artillery, safety issues make propellants highly preferable as compared to ordinary explosives. However, the same properties that make propellants safer, such as their low shock sensitivities, also make them more difficult ...

Surface Plasmon Assisted Spectroscopies and Their Application in Trace Element Analysis, the Study of Biomolecular Interactions, and Chemical Sensing

Wu, Tsung Hsueh (2008-08-15)

The main objective of this dissertation is to apply the fundamental principles of surface plasmon assisted spectroscopies such as surface plasmon resonance spectroscopy and surface enhanced Raman spectroscopy in the trace ...