Graduate Thesis Or Dissertation
 

Theory of Inhomogeneous Fluids

Público Deposited

Contenido Descargable

Descargar PDF
https://ir.library.oregonstate.edu/concern/graduate_thesis_or_dissertations/ks65hf92g

Descriptions

Attribute NameValues
Creator
Abstract
  • This dissertation reports on the computational physics research in the area of inhomogeneous fluids. I first discuss the theory background for this work beginning with water, which is important for the two published articles that are presented in this work (Chapters 5 and 6). Next, I give a brief overview of statistical associating fluid theory (SAFT), and discuss each free energy term and how it contributes to the SAFT free energy. I also give a short history of density functional theory (DFT) and discuss fundamental measure theory (FMT). I then present a classical DFT for water along with simulation and compar- isons with analytic data. Next, an improvement on the classical DFT for water is presented with a modified association free energy term. This improved DFT is compared to the previous theory and displays an overall improvement. I present a soft sphere fluid theory based on soft fundamental measure theory with a Weeks-Chandler-Anderson (WCA) pair potential. I show that the results ofthis theory are as good as a Barker-Henderson hard sphere fluid for low densities and a range of temperatures. I then derive the potential for a soft wall composed of WCA particles which was used to test the soft fluid theory. Finally, I discuss a square well fluid theory that is currently incomplete. I present theory and up to our present work, display and discuss results, and mention possible problems.
License
Resource Type
Fecha Disponible
Fecha de Emisión
Degree Level
Degree Name
Degree Field
Degree Grantor
Commencement Year
Advisor
Committee Member
Academic Affiliation
Non-Academic Affiliation
Subject
Declaración de derechos
Publisher
Peer Reviewed
Language
Replaces

Relaciones

Parents:

This work has no parents.

En Collection:

Elementos

Miniatura Título Fecha de subida Visibilidad Acciones
file details KrebsEricJ2016.pdf 2017-08-07 Público Descargar