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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

Author:

Kamat, Amar

Title:

APPLICATION OF REAXFF BASED REACTIVE MOLECULAR DYNAMICS TO SIMULATE LASER INDUCED INCANDESCENCE OF SOOT AND CHAR OXIDATION

Graduate Program:

Mechanical Engineering

Keywords:

laser induced incandescence
soot
reaxff
molecular dynamics
accommodation coefficients

File:

Download Kamat_Thesis_Feb7.pdf

Committee Members:

Prof Adri Van Duin, Thesis Advisor/Co-Advisor
Adrianus C Van Duin, Thesis Advisor/Co-Advisor

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

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

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