Degree Type

Thesis

Date of Award

2008

Degree Name

Master of Arts

Department

History

First Advisor

Pamela Riney-Kehrberg

Second Advisor

Lina M. Del Castillo

Third Advisor

Hector Avalos

Abstract

Prediction of colloidal nanoparticle aggregation is an important problem which needs to be solved in an accurate and efficient manner. In ideal case model which is chosen to predict colloidal nanoparticle aggregation should accurately describe physico-chemical interactions of relatively large physical systems, and at the same time, simulate at low computational cost. In this research, two simulation approaches, molecular dynamics (MD) and Brownian dynamics (BD), are analyzed and compared with a view to accurately predicting ggregation of colloidal nanoparticles. Because the BD technique is essentially a reduction of the MD method the accuracy requirements for BD simulations have been established. A new method to match aggregation statistics obtained from MD and BD simulations is proposed. In this method the evolution of the second-order density for MD model is derived. The average relative acceleration between nanopartilce pairs is identified as an important link between MD and coarse-grain simulations such as BD.

DOI

https://doi.org/10.31274/rtd-180813-16432

Publisher

Digital Repository @ Iowa State University, http://lib.dr.iastate.edu/

Copyright Owner

Andrea Kay Tucker

Language

en

Proquest ID

AAI1453116

OCLC Number

235943025

ISBN

9780549541868

File Format

application/pdf

File Size

76 pages

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