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Author:

Motevalian, Seyed Pouria

Title:

Simulations of Reactive Species Transport in the Respiratory Tract

Graduate Program:

Chemical Engineering

Keywords:

Dosimetry Modeling
Computational Fluid Dynamics
Mass Trasnport
Respiratory Tract

File:

Download PhD_Thesis_Seyed_Pouria_Motevalian.pdf

Committee Members:

Ali Borhan, Dissertation Advisor/Co-Advisor
Ali Borhan, Committee Chair/Co-Chair
Kristen Ann Fichthorn, Committee Member
James Ultman, Committee Member
Rebecca Bascom, Outside Member

Author:

Zhang, Wenlin

Title:

Predicting molecular properties and phase behaviors for conjugated polymers

Graduate Program:

Chemical Engineering

Keywords:

Conjugated Polymers
Molecular Simulations

File:

Download WenlinZhang_Dissertation.pdf

Committee Members:

Scott Thomas Milner, Dissertation Advisor/Co-Advisor
Scott Thomas Milner, Committee Chair/Co-Chair
Enrique Daniel Gomez, Committee Member
Kristen Ann Fichthorn, Committee Member
William George Noid, Outside Member

Author:

Zhou, Yuxing

Title:

LIQUID TO SOLID WITHOUT ORDER: HINDERED MOTION IN GLASSY MATERIALS

Graduate Program:

Chemical Engineering

Keywords:

glass transition
colloidal glasses
polymer glasses
simulation
structure and dynamics

File:

Download YuxingZhou-Dissertation_final.pdf

Committee Members:

Scott Thomas Milner, Dissertation Advisor/Co-Advisor
Scott Thomas Milner, Committee Chair/Co-Chair
Kristen Ann Fichthorn, Committee Member
Ralph H Colby, Committee Member
William George Noid, Outside Member

Author:

Liu, Shih Hsien

Title:

Shape-Selective Syntheses of Gold and Copper Nanostructures: Insights from Density-Functional Theory and Molecular Dynamics

Graduate Program:

Chemical Engineering

Keywords:

hexadecylamine
copper
nanostructure
force field
molecular dynamics
hexadecylamine
copper
nanostructure
density-functional theory
force field
molecular dynamics
polyvinylpyrrolidone
gold
reconstruction

File:

Download Shih-Hsien_Liu_Dissertation.pdf

Committee Members:

Kristen Ann Fichthorn, Dissertation Advisor/Co-Advisor
Kristen Ann Fichthorn, Committee Chair/Co-Chair
Michael John Janik, Committee Member
Robert Martin Rioux Jr., Committee Member
Raymond Edward Schaak, Outside Member

Author:

Kumar, Gaurav

Title:

Computational Rational Design of High-performance Multi-component Catalysts

Graduate Program:

Chemical Engineering

Keywords:

heterogeneous catalysis
bifunctionality
metal-oxide
metal support interaction
self-assembled monolayers
volcano limitation

File:

Download Dissertation_Gaurav_Kumar_Dec17.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, Outside Member
J. Will Medlin, Special Member