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Full-Text Articles in Physical Sciences and Mathematics

Theoretical Study On The Mechanism Of Removing Nitrogen Oxides Using Isocyanic Acid., Taraneh Nowroozi-Isfahani Aug 2001

Theoretical Study On The Mechanism Of Removing Nitrogen Oxides Using Isocyanic Acid., Taraneh Nowroozi-Isfahani

Electronic Theses and Dissertations

The mechanism of RAPRENOx reactions - RAPid REduction of Nitrogen Oxides using Isocyanic acid - proposed by Robert A. Perry1 in an attempt to help control the emission of nitrogen oxides pollutant into the atmosphere, has been re-investigated theoretically. The study of reaction mechanisms was carried out using Chemist software2. All mathematically possible elementary steps have been evaluated and the chemically reasonable ones have been considered to propose new sets of reaction mechanisms. Density Functional Theory (B3LYP/6-31 G**) calculations using Gaussian 983 were made in order to study the relative energies of all species and …


Synthesis And Use Of Chiral Surfactants., Xiaoye Yang Aug 2001

Synthesis And Use Of Chiral Surfactants., Xiaoye Yang

Electronic Theses and Dissertations

It has been previously shown that micelles formed from surfactants with chiral head groups serve to induce a chiral reaction medium, leading to enhanced enantioselectivities in the reaction products. This utilization of chiral surfactants will offer an economical alternative to traditional chial solvents while simultaneously reducing organic waste. We have successfully dimethlated S-leucinol in an 85% yield, and have synthesized a hydrocarbon-based surfactant with this molecule as a head group. We have also formed polymeric surfactants that have polydimethylsiloxane as the hydrophobic portion with the (S)-dimethylleucinol as a head group. Tests of the solubility of these surfactants have been conducted. …