Author ORCID Identifier
Date Available
5-4-2021
Year of Publication
2021
Document Type
Doctoral Dissertation
Degree Name
Doctor of Philosophy (PhD)
College
Arts and Sciences
Department/School/Program
Physics and Astronomy
Advisor
Dr. Peter M. Kekenes-Huskey
Co-Director of Graduate Studies
Dr. Ribhu K. Kaul
Abstract
Material properties are used in a wide variety of theoretical models of material behavior. Descriptive properties quantify the nature, structure, or composition of the material. Behavioral properties quantify the response of the material to an imposed condition. The central question of this work concerns the prediction of behavioral properties from previously determined descriptive properties through hierarchical multi-scale, multiphysics models implemented as numerical simulations. Applications covered focus on mass transport models, including sequential enzyme-catalyzed reactions in systems biology, and an industrial chemical process in a common reaction medium.
Digital Object Identifier (DOI)
https://doi.org/10.13023/etd.2021.162
Funding Information
This research was supported by the American Chemical Society - Petroleum Research Fund from January 2018 to August 2020, and by the National Institutes of Health (grant number 1 R35 GM124977) from August 2017 to January 2018 and August 2020 to May 2021.
Recommended Citation
Pace, Tom, "Predicting Material Properties: Applications of Multi-Scale Multiphysics Numerical Modeling to Transport Problems in Biochemical Systems and Chemical Process Engineering" (2021). Theses and Dissertations--Physics and Astronomy. 84.
https://uknowledge.uky.edu/physastron_etds/84
Included in
Biological and Chemical Physics Commons, Materials Chemistry Commons, Numerical Analysis and Scientific Computing Commons, Physical Chemistry Commons
