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Abstracts Of Project Papers

Chemical Mechanisms In Hydrogen Sulfide Decomposition To Hydrogen And Sulfur

In the conversion of hydrogen sulfide (H2S) into hydrogen (H2) and sulfur, H2S is reacted with 2-t-butylantraquinone (TBAQ) in a process solvent to form the hydroquinone (HTBAQH) and atomic sulfur. Sulfur is then polymerized into its ring form (S8) for recovery from the process solvent. These two reactions are added by a sulfur complexing agent (SCA). Semi-empirical computational methods were used to determine the detailed chemical steps. It was found that the process solvent stabilizes the diradical form of TBAQ and the SCA splits H2S into an ion pair. These two mechanisms assist in the transfer of two electrons and two protons from H2S to TBAQ to form HTBAQH and atomic sulfur. Sulfur polymerization was computationally shown to be diradical in nature with the growing chain being terminated by one or two SCA.


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Hydrocarbon Absorption In Molten Tetrachloroaluminates

Chemical Mechanisms In Hydrogen Sulfide Decomposition to Hydrogen and Sulfur

Solvent Effects In The Conversion of Anthraquinone to Antrahydroquinone and Simultaneously Hydrogen Sulfide to Hydrogen and Sulfur

Modeling The Folding and Hydrogen Production of Clostridium acetobutylicum and Clostridium saccharobutylium Mutants Using Electrostatic Potential Surfaces and Molecular Dynamics

Determination Of Mechanisms Via Computational Chemistry For Xylene And Hydroxynaphthalene Separations On Beta-Cyclodextrin

Development of a Liquid Extraction Process for Removal of Sulfur Compounds from Gasoline using Quantum/Molecular Mechanics Methods

Correlation of Rate and Michaelis Constants with Atomic Charge for the Dehydrogenation of Butyryl-CoA Derivatives Using Human Glutaryl-CoA Dehydrogenase

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