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Start Over Committee Member Adrianus C Van Duin

1. Hydrocarbon Conversion Catalysis on Ceria-based Mixed Metal Oxides

open_access
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

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

open_access
Open Access
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

4. ROLES OF ZEOLITE SUPPORT AND NOBLE METAL IN SULFUR-TOLERANT CATALYST FOR LOW TEMPERATURE HYDROGENATION OF AROMATICS

open_access
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

5. Influence of Strain on the Physical Properties of Materials at the Nanoscale

open_access
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

7. Development of a Kinetic Particle-based Method to Model the Multi-scale Physics of Expanding Flows

open_access
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

8. APPLICATION OF THE REAXFF MOLECULAR SIMULATION METHOD FOR INVESTIGATING HYPERGOLICITY OF ENERGETIC IONIC LIQUIDS

open_access
Open Access
Author:
Singhai, Shashank
Title:
APPLICATION OF THE REAXFF MOLECULAR SIMULATION METHOD FOR INVESTIGATING HYPERGOLICITY OF ENERGETIC IONIC LIQUIDS
Graduate Program:
Mechanical Engineering
Keywords:
ionic liquid
energetic
hypergolic
simulation
Reaxff
molecular dynamics
combustion
File:
Download S_Singhai-MSThesis-Fall2010.pdf
Committee Members:
Prof Adri Van Duin, Thesis Advisor/Co-Advisor
Adrianus C Van Duin, Thesis Advisor/Co-Advisor

10. PHOTOINDUCED ACTIVATION OF CO2 ON TiO2 SURFACES: QUANTUM CHEMICAL MODELING OF GROUND AND EXCITED STATES, AND IN SITU EPR STUDIES

open_access
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