Browsing OU - Theses by Author "Wang, Bin"
Now showing items 1-9 of 9
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Catalytic dehydration of poly (vinyl alcohol-co-ethylene) with heterogeneous acid catalysts
Trevisi, Luis (2023)This study investigates the role of acid site density, pore size, and solvent selection in the catalytic dehydration of Poly (vinyl alcohol-co-ethylene) (EVOH) using zeolite catalysts. The first set of experiments ... -
A DFT STUDY OF THE CATALYTIC HYDRODEOXYGENATION OF ANISOLE ON A RHODIUM CATALYST
Aruho, Darius (2018-05)Heterogeneous catalysis is an integral part of chemical industry. Additionally, the surge in biomass research has necessitated a need for newer and effective catalysts to upgrade biomass and its constituents: - lignin, ... -
DFT-Derived Location and Hydroxide Coordination of Lanthanum Ions in Zeolite Y Structures
Crouch, Jacob (2021-08-05)Fluid Catalytic Cracking is a process of great interest in oil refining. This process is governed by the stability and activity of acid sites held within zeolite frameworks. Rare earth exchanged, specifically lanthanum ... -
ENHANCEMENT OF ZEOLITE CATALYZED REACTIONS FROM WATER CLUSTERS AND BRONSTED SITE PROXIMITY
Zeets, Michael (2018)Zeolites offer many benefits as a catalyst. The adjustable acid sites in zeolites and its well-defined pore structure allows for a fine-tuning of the catalytic performance. The activity and selectivity of several reactions ... -
Hydrogen Peroxide and Water Interaction with Carbon Nitride
Klovenski, Mason (2020-05-07)This study aims to understand the behavior of a mixture of water and hydrogen peroxide with effects from a carbon nitride catalyst using classical molecular dynamics. Hydrogen peroxide’s wide range of use drives the need ... -
Improving the thermal conductivity of nanotube composites via end functionalization: random walks and molecular dynamics
Burt, Timothy (2017-12)The high thermal conductivity of carbon nanotubes (CNTs) has promise for improving the thermal conductivity of nano composites. However, their large Kapitza resistance has frustrated this effect. One solution is to ... -
SELECTIVE CONVERSION OF UNSATURATED CARBOXYLIC ACIDS TO OLEFINS OR DIOLEFINS
Chidurala, Monica (2018-05-12)Biomass is composed of pentosans and hexosans that can be converted to γ-valerolactone (GVL) via an acid-catalyzed dehydration and metal-catalyzed hydrogenation reactions.16,17 Through acid catalysis, GVL can undergo ... -
TIME-DEPENDENT DENSITY FUNCTIONAL THEORY STUDIES OF CHARGE TRANSFER IN OXYGEN DISSOCIATION ON SILVER NANOPARTICLE
Deng, Jingheng (2020)We performed calculations to study the dominating charge transfer mechanism in an plasmon-mediated catalytic reaction, oxygen dissociation on Ag nanoparticles (NPs) by using time-dependent density functional theory. Two ... -
Water Enhancement of Hydrocarbon Cracking Reactions on ZSM-5
Teel, Kenneth (2019-07)Catalytic cracking of hydrocarbons is an extremely important process for the production of fuels and commodity chemicals from petroleum feedstocks. The effects of water on these reactions has been studied before at high ...