Index Catalog // Hyrax

Molecular Modeling of Adsorbed NDMA in MFI Zeolites

Palavra-chave:: N-nitrosamines, Zeolite, Molecular Modeling, DFT, and NDMA
O Criador:: Kamaloo, Elaheh
Advisor:: Deskins, N Aaron
Editor:: Worcester Polytechnic Institute
Data Criada:: 2013-04-25
Resource Type:: Thesis
Degree:: MS
Unit (Department):: Chemical Engineering

Iridium-based bimetallic alloy catalysts for the ethanol oxidation reaction for fuel cells modeled by density functional theory

Palavra-chave:: Catalysis, iridium, CP2K, anode catalyst , ethanol fuel cell, and DFT theory
O Criador:: Courtois, Julien
Advisor:: Deskins, N Aaron
Editor:: Worcester Polytechnic Institute
Data Criada:: 2013-04-25
Resource Type:: Thesis
Degree:: MS
Unit (Department):: Chemical Engineering

Simulation of the diffusion of endocrine disrupting compounds in silicalite by molecular dynamics

Palavra-chave:: benzene, nonylphenol, Zeolite, BPA, diffusion, Simulation, water, phenol, toluene, Molecular Dynamics, bisphenol-A, and neopentane
O Criador:: Gabry, Thomas Jacques Andre
Advisor:: Deskins, N Aaron
Editor:: Worcester Polytechnic Institute
Data Criada:: 2012-04-26
Resource Type:: Thesis
Degree:: MS
Unit (Department):: Chemical Engineering

Catalytic and Electrocatalytic Pathways in Fuel Cells

Palavra-chave:: reaction route graph theory, water gas shit, hydrogen oxidation, methanol decomposition, electrocatalysis, fuel cell model, ammonia decomposition, Fuel Cells, Catalysis, Methane Steam Reforming, and oxygen reduction
O Criador:: Vilekar, Saurabh A.
Advisor:: Datta, Ravindra
Editor:: Worcester Polytechnic Institute
Data Criada:: 2010-04-19
Resource Type:: Dissertation
Degree:: PhD
Unit (Department):: Chemical Engineering

Characterization of Sewage Sludge Hydrochar for Use as a Heavy Metal Adsorbent

Palavra-chave:: Hydrochar, Hydrothermal Carbonization, Sewage Sludge, and Adsorption
O Criador:: Wieckowski, Hunter
Advisor:: Timko, Michael T.
Editor:: Worcester Polytechnic Institute
Data Criada:: 2023-08-10
Resource Type:: Thesis
Degree:: MS
Unit (Department):: Chemical Engineering

Surface Science of Low-Dimensional Materials: Controlling Chemical and Optoelectronic Structure, Connecting Dissimilar Materials, and Improving Atmospheric Stability

Palavra-chave:: Low-dimensional materials surface science, Titania titanium dioxide TiO2, MXene, XPS, BiOI, and UPS
O Criador:: Martin, Julia
Advisor:: Grimm, Ronald
Editor:: Worcester Polytechnic Institute
Data Criada:: 2023-04-27
Resource Type:: Dissertation
Degree:: PhD
Unit (Department):: Chemistry & Biochemistry

Comparative Study of Experimental and Modeled Hydrochar Surface Properties

O Criador:: Moran, Max
Advisor:: Timko, Michael T.
Editor:: Worcester Polytechnic Institute
Data Criada:: 2021-08-21
Resource Type:: Thesis
Degree:: MS
Unit (Department):: Chemical Engineering

Developing Viable Catalysts for Ethanol Oxidation Using Electronic Structure Calculations

Palavra-chave:: Metal-Metal Oxides, Density Functional Theory, Segregation Energy, Ethanol Oxidation, Alloys, Cluster Expansion, and Direct Ethanol Fuel Cells
O Criador:: Farsi, Lida
Advisor:: Deskins, N Aaron
Editor:: Worcester Polytechnic Institute
Data Criada:: 2019-05-30
Resource Type:: Dissertation
Degree:: PhD
Unit (Department):: Chemical Engineering

Chemical Changes in Hydrothermal Carbon with Reaction Time

Palavra-chave:: characterization, spectroscopy, and carbon material
O Criador:: McKeogh, Brendan James
Advisor:: Timko, Michael T.
Editor:: Worcester Polytechnic Institute
Data Criada:: 2017-09-07
Resource Type:: Thesis
Degree:: MS
Unit (Department):: Chemical Engineering

A Liquid Gallium-Air Battery Study

Palavra-chave:: Metal-Air and Battery
O Criador:: Howard, Tyler Trettel
Advisor:: Datta, Ravindra
Editor:: Worcester Polytechnic Institute
Data Criada:: 2017-01-12
Resource Type:: Thesis
Degree:: MS
Unit (Department):: Chemical Engineering

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Molecular Modeling of Adsorbed NDMA in MFI Zeolites

Iridium-based bimetallic alloy catalysts for the ethanol oxidation reaction for fuel cells modeled by density functional theory

Simulation of the diffusion of endocrine disrupting compounds in silicalite by molecular dynamics

Catalytic and Electrocatalytic Pathways in Fuel Cells

Characterization of Sewage Sludge Hydrochar for Use as a Heavy Metal Adsorbent

Surface Science of Low-Dimensional Materials: Controlling Chemical and Optoelectronic Structure, Connecting Dissimilar Materials, and Improving Atmospheric Stability

Comparative Study of Experimental and Modeled Hydrochar Surface Properties

Developing Viable Catalysts for Ethanol Oxidation Using Electronic Structure Calculations

Chemical Changes in Hydrothermal Carbon with Reaction Time

A Liquid Gallium-Air Battery Study

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