Index Catalog // Hyrax

Molecular Modeling of Adsorbed NDMA in MFI Zeolites

Stichwort:: N-nitrosamines, Zeolite, Molecular Modeling, DFT, and NDMA
Schöpfer:: Kamaloo, Elaheh
Advisor:: Deskins, N Aaron
Herausgeber:: Worcester Polytechnic Institute
Datum erstellt:: 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

Stichwort:: Catalysis, iridium, CP2K, anode catalyst , ethanol fuel cell, and DFT theory
Schöpfer:: Courtois, Julien
Advisor:: Deskins, N Aaron
Herausgeber:: Worcester Polytechnic Institute
Datum erstellt:: 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

Stichwort:: benzene, nonylphenol, Zeolite, BPA, diffusion, Simulation, water, phenol, toluene, Molecular Dynamics, bisphenol-A, and neopentane
Schöpfer:: Gabry, Thomas Jacques Andre
Advisor:: Deskins, N Aaron
Herausgeber:: Worcester Polytechnic Institute
Datum erstellt:: 2012-04-26
Resource Type:: Thesis
Degree:: MS
Unit (Department):: Chemical Engineering

Catalytic and Electrocatalytic Pathways in Fuel Cells

Stichwort:: 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
Schöpfer:: Vilekar, Saurabh A.
Advisor:: Datta, Ravindra
Herausgeber:: Worcester Polytechnic Institute
Datum erstellt:: 2010-04-19
Resource Type:: Dissertation
Degree:: PhD
Unit (Department):: Chemical Engineering

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

Stichwort:: Hydrochar, Hydrothermal Carbonization, Sewage Sludge, and Adsorption
Schöpfer:: Wieckowski, Hunter
Advisor:: Timko, Michael T.
Herausgeber:: Worcester Polytechnic Institute
Datum erstellt:: 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

Stichwort:: Low-dimensional materials surface science, Titania titanium dioxide TiO2, MXene, XPS, BiOI, and UPS
Schöpfer:: Martin, Julia
Advisor:: Grimm, Ronald
Herausgeber:: Worcester Polytechnic Institute
Datum erstellt:: 2023-04-27
Resource Type:: Dissertation
Degree:: PhD
Unit (Department):: Chemistry & Biochemistry

Comparative Study of Experimental and Modeled Hydrochar Surface Properties

Schöpfer:: Moran, Max
Advisor:: Timko, Michael T.
Herausgeber:: Worcester Polytechnic Institute
Datum erstellt:: 2021-08-21
Resource Type:: Thesis
Degree:: MS
Unit (Department):: Chemical Engineering

Developing Viable Catalysts for Ethanol Oxidation Using Electronic Structure Calculations

Stichwort:: Metal-Metal Oxides, Density Functional Theory, Segregation Energy, Ethanol Oxidation, Alloys, Cluster Expansion, and Direct Ethanol Fuel Cells
Schöpfer:: Farsi, Lida
Advisor:: Deskins, N Aaron
Herausgeber:: Worcester Polytechnic Institute
Datum erstellt:: 2019-05-30
Resource Type:: Dissertation
Degree:: PhD
Unit (Department):: Chemical Engineering

Chemical Changes in Hydrothermal Carbon with Reaction Time

Stichwort:: characterization, spectroscopy, and carbon material
Schöpfer:: McKeogh, Brendan James
Advisor:: Timko, Michael T.
Herausgeber:: Worcester Polytechnic Institute
Datum erstellt:: 2017-09-07
Resource Type:: Thesis
Degree:: MS
Unit (Department):: Chemical Engineering

A Liquid Gallium-Air Battery Study

Stichwort:: Metal-Air and Battery
Schöpfer:: Howard, Tyler Trettel
Advisor:: Datta, Ravindra
Herausgeber:: Worcester Polytechnic Institute
Datum erstellt:: 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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