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Author:

Kozuch, Daniel J

Title:

Predicting the Flory-huggins χ Parameter for Polymers with Stiffness Mismatch from Molecular Dynamics Simulation

Area of Honors:

Chemical Engineering

Keywords:

Polymers
Blends
Simulation
Molecular Dynamics
Flory-Huggins

File:

Download Daniel_Kozuch_Schreyer_Honors_Thesis.pdf

Thesis Supervisors:

Scott Thomas Milner, Thesis Supervisor
Darrell Velegol, Thesis Honors Advisor

Author:

Narukatpichai, Jenwarin

Title:

A MOLECULAR DYNAMICS OF THE ORIENTED ATTACHMENT MECHANISM OF SILVER NANOPLATES IN PRESCENCE OF POLYVINYLPYRROLIDONE

Area of Honors:

Chemical Engineering

Keywords:

silver nanoplate
ag nanoplate
nanoplate synthesis
oriented attachment
Polyvinylpyrrolidone
PVP
Molecular dynamics simulations
MD simulations
Molecular Dynamics

File:

Download JenwarinNarukatpichaiThesis04122017.pdf

Thesis Supervisors:

Kristen Fichthorn, Thesis Supervisor
Themis Matsoukas, Thesis Honors Advisor

Author:

Cai, Yusheng

Title:

A study of solvation energy using molecular dynamics and density functional theory

Area of Honors:

Chemical Engineering

Keywords:

Molecular Dynamics
Density Functional Theory
Solvation energy
Thermodynamic integration
Gromacs
proton
water

File:

Download Senior_Thesis_4_8_2019.pdf

Thesis Supervisors:

Scott Thomas Milner, Thesis Supervisor
Dr. Wayne Roger Curtis, Thesis Honors Advisor

Author:

Zele, Joseph

Title:

An Investigation Into the Application of Coarse-Grain Modelling Methods to Solvents in the Bulk Phase

Area of Honors:

Chemical Engineering

Keywords:

Molecular Dynamics
Coarse-Grain Models
Atomistic Force Field
GROMACS
Coarse-Grain Potential

File:

Download Thesis_Draft_jaz22.pdf

Thesis Supervisors:

William George Noid, Thesis Supervisor
Wayne Roger Curtis, Thesis Honors Advisor