Item Details

Print View

First-Principles Computational Analyses of Catalytic Dehydrogenation and Cracking of Hydrocarbon Fuels

Qian, Qiang
Format
Thesis/Dissertation; Online
Author
Qian, Qiang
Advisor
Neurock, Matthew
Abstract
First-principles density functional theory (DFT) calculations were carried out to examine elementary reaction paths, plausible mechanisms and the nature of the active catalytic sites involved in the catalytic dehydrogenation over supported metal and metal oxide clusters and catalytic cracking over solid acid catalysts. More specifically we examined the influence of the size, shape and composition of the metal as well as the influence of the support in the catalytic dehydrogenation and the role of solid acid acidity on the catalytic cracking of alkanes.
Language
English
Published
University of Virginia, Department of Chemical Engineering, PHD, 2014
Published Date
2014-04-28
Degree
PHD
Collection
Libra ETD Repository
In CopyrightIn Copyright
▾See more
▴See less

Availability

Read Online