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Open Access

Author:: Mayernick, Adam David
Title:: Hydrocarbon Conversion Catalysis on Ceria-based Mixed Metal Oxides
Graduate Program:: Chemical Engineering
Keywords:: Density Functional Theory
Palladium
Catalysis
Ceria
Hydrocarbon Oxidation
File:: Download MAYERNICK_PHDTHESIS.pdf
Committee Members:: Michael John Janik, Dissertation Advisor/Co-Advisor
Michael John Janik, Committee Chair/Co-Chair
Kristen Ann Fichthorn, Committee Member
Robert Martin Rioux Jr., Committee Member
Adrianus C Van Duin, Committee Member

Open Access

Author:: Kim, Hyun Jae
Title:: ROLES OF ZEOLITE SUPPORT AND NOBLE METAL IN SULFUR-TOLERANT CATALYST FOR LOW TEMPERATURE HYDROGENATION OF AROMATICS
Graduate Program:: Energy and Geo-Environmental Engineering
Keywords:: hydrogenation
sulfur tolerance
catalyst
File:: Download dissertation_Hyun_Jae_Kim.pdf
Committee Members:: Chunshan Song, Dissertation Advisor/Co-Advisor
Chunshan Song, Committee Chair/Co-Chair
Yaw D Yeboah, Committee Member
Yongsheng Chen, Committee Member
Adrianus C Van Duin, Committee Member

Open Access

Author:: Manoharan, Mohan Prasad
Title:: Influence of Strain on the Physical Properties of Materials at the Nanoscale
Graduate Program:: Mechanical Engineering
Keywords:: Nanoscale
multi domain coupling
size effect
thermal conductivity
electrical conductivity
bandgap
crystallization
File:: Download Manoharan_999805608.pdf
Committee Members:: Md Amanul Haque, Dissertation Advisor/Co-Advisor
Aman Haque, Committee Chair/Co-Chair
Alok Sinha, Committee Member
Adrianus C Van Duin, Committee Member
Jun Huang, Committee Member

Open Access

Author:: Kumar, Rakesh
Title:: Development of a Kinetic Particle-based Method to Model the Multi-scale Physics of Expanding Flows
Graduate Program:: Aerospace Engineering
Keywords:: molecular dynamics
DSMC-ESBGK hybrid method
Particle-particle hybrid scheme
homogeneous condensation modeling
File:: Download DissertationRK.pdf
Committee Members:: Prof Deborah A Levin, Dissertation Advisor/Co-Advisor
Deborah A Levin, Committee Chair/Co-Chair
Philip John Morris, Committee Member
Barbara Jane Garrison, Committee Member
Adrianus C Van Duin, Committee Member

Open Access

Author:: Indrakanti, Venkata Pradeep
Title:: PHOTOINDUCED ACTIVATION OF CO2 ON TiO2 SURFACES: QUANTUM CHEMICAL MODELING OF GROUND AND EXCITED STATES, AND IN SITU EPR STUDIES
Graduate Program:: Energy and Geo-Environmental Engineering
Keywords:: quantum calculations
DFT
CO2 activation
photocatalytic reduction of CO2
anatase
TiO2
CO2 utilization
File:: Download Pradeep_Thesis_Vita.pdf
Committee Members:: Harold Harris Schobert, Dissertation Advisor/Co-Advisor
Harold Harris Schobert, Committee Chair/Co-Chair
James David Kubicki, Committee Chair/Co-Chair
Chunshan Song, Committee Member
Kwadwo Osseo Asare, Committee Member
Adrianus C Van Duin, Committee Member

Open Access

Author:: Jin, Jiezhu
Title:: Thermal Conductivity and Multiferroics Of Electroactive polymers and Polymer Composites
Graduate Program:: Materials Science and Engineering
Keywords:: thermal conductivity
conducting polymer
multiferroic
piezoelectric
PVDF-based polymer
File:: Download Jiezhu_Jin_Final_Dissertation.pdf
Committee Members:: Md Amanul Haque, Dissertation Advisor/Co-Advisor
Qing Wang, Dissertation Advisor/Co-Advisor
Ralph H Colby, Committee Member
Adrianus C Van Duin, Committee Member

Open Access

Author:: Essel, Jonathan Thomas
Title:: Processing Energetic Materials with Supercritical Fluid Precipitation Techniques
Graduate Program:: Mechanical Engineering
Keywords:: energetic materials
supercritical fluids
nanotechnology
RESS process
File:: Download Jonathan_Essel_Final_Thesis__all_color__with_vita.pdf
Committee Members:: Kenneth K Kuo, Dissertation Advisor/Co-Advisor
Kenneth K Kuo, Committee Chair/Co-Chair
James Hansell Adair, Committee Member
Richard A Yetter, Committee Member
Stefan Thynell, Committee Member
Adrianus C Van Duin, Committee Member

Open Access

Author:: Joshi, Kaushik
Title:: Development and application of Reaxff reactive force field for hydrocarbon cracking on an aluminosilicate zeolite catalyst
Graduate Program:: Mechanical Engineering
Keywords:: molecular dynamics
reactive force field
hydrocarbon cracking
File:: Download Kaushik_Thesis.pdf
Committee Members:: Adrianus C Van Duin, Dissertation Advisor/Co-Advisor
Richard A Yetter, Committee Member
Md Amanul Haque, Committee Member
Michael John Janik, Committee Member

Open Access

Author:: Peluso, Stephen
Title:: An Experimental Study of Flame Response Mechanisms in a Lean-premixed Gas Turbine Combustor
Graduate Program:: Mechanical Engineering
Keywords:: combustion instability
flame response
flame dynamics
flame transfer function
flame response mechanisms
gas turbine
File:: Download Stephen_Peluso.pdf.pdf
Committee Members:: Domenic Adam Santavicca, Dissertation Advisor/Co-Advisor
Domenic Adam Santavicca, Committee Chair/Co-Chair
Robert John Santoro, Committee Member
Stephen R Turns, Committee Member
Adrianus C Van Duin, Committee Member
Randy Lee Vander Wal, Committee Member

Open Access

Author:: Castro Marcano, Fidel
Title:: Improved generation of large-scale atomistic representations and pyrolysis/combustion simulations of Illinois coal and coal char using the Reaxff reactive force field
Graduate Program:: Energy and Mineral Engineering
Keywords:: coal structure
coal pyrolysis
char combustion
molecular modeling
ReaxFF
reactive molecular dynamics
File:: Download Fidel_Castro_Doctoral_Dissertation_corrected.pdf
Committee Members:: Jonathan P Mathews, Dissertation Advisor/Co-Advisor
Jonathan P Mathews, Committee Chair/Co-Chair
Ljubisa R Radovic, Committee Member
Caroline Elaine Clifford, Committee Member
Robert John Santoro, Committee Member
Adrianus C Van Duin, Committee Member

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