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Full-Text Articles in Chemistry

Optimization Of Palladium-Catalyzed In Situ Destruction Of Trichloroethylene-Contaminated Groundwater Using A Genetic Algorithm, Manuel Fernandez Mar 2001

Optimization Of Palladium-Catalyzed In Situ Destruction Of Trichloroethylene-Contaminated Groundwater Using A Genetic Algorithm, Manuel Fernandez

Theses and Dissertations

Conventional technologies for the treatment of groundwater contaminated with chlorinated solvents have limitations that have motivated development of innovative technologies. One such technology currently under development involves using palladium-on-alumina (Pd/Al) as a catalyst to promote dechlorination. Pd/Al catalyst may be used in-well as part of a re-circulating horizontal flow treatment well (HFTW) system. An HFTW system involves two or more dual-screened wells, with in-well reactors, to capture and treat contaminated groundwater without the need to pump the water to the surface. In this study, objective and fitness functions, based on system costs and TCE concentration requirements, were developed to optimize …


Use Of Quantum Mechanical Calculations To Investigate Small Silicon Carbide Clusters, Jean W. Henry Mar 2001

Use Of Quantum Mechanical Calculations To Investigate Small Silicon Carbide Clusters, Jean W. Henry

Theses and Dissertations

Density Functional Theory (DFT) method was employed to model silicon carbide small clusters. Comparing the DFT calculation results with experimental results that observed by using photoelectron spectroscopy (PES), DFT predicts the same structures that experiment observed. For electron affinity, DFT results are in good agreement with experimental results, the root mean square negative offset 0.1 eV found using medium size of basis set (cc-pVDZ+) calculation. DFT results for vibrational frequencies are in good agreement with experiment results; the root mean square error is 72.5 cm-1 wave number. 16 ground state structures of SimCn (m ≤ 4, …


Dissolution Of Chromium From Inhalable Primer Paint Particles Into A Simulated Lung Fluid, David A. Kauth Mar 2001

Dissolution Of Chromium From Inhalable Primer Paint Particles Into A Simulated Lung Fluid, David A. Kauth

Theses and Dissertations

The use of chromate as a corrosion inhibitor in primer paint is an essential component for the protection of aluminum-skinned aircraft and the primary source of hexavalent chromium (Cr (VI)) exposure to USAF aircraft painters. The objective of this research was to quantify the dissolution of chromate from freshly sprayed paint particles into a simulated lung fluid (SLF). Two primer paints were sprayed with a paint spray gun to generate overspray particles for collection into impingers filled with SLF. Particles were allowed to soak in SLF for 24 and 48 hours and then the particles were removed by centrifugation. The …