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Full-Text Articles in Physical Sciences and Mathematics

Nonlinear Dimensionality Reduction For The Thermodynamics Of Small Clusters Of Particles, Aditya Dendukuri Jul 2020

Nonlinear Dimensionality Reduction For The Thermodynamics Of Small Clusters Of Particles, Aditya Dendukuri

Graduate Theses and Dissertations

This work employs tools and methods from computer science to study clusters comprising a small number N of interacting particles, which are of interest in science, engineering, and nanotechnology. Specifically, the thermodynamics of such clusters is studied using techniques from spectral graph theory (SGT) and machine learning (ML). SGT is used to define the structure of the clusters and ML is used on ensembles of cluster configurations to detect state variables that can be used to model the thermodynamic properties of the system. While the most fundamental description of a cluster is in 3N dimensions, i.e., the Cartesian coordinates of …


Surface Modified Polypropylene Membranes For Treating Hydraulic Fracturing Produced Waters By Membrane Distillation, Tharaka Hawpe Gamage May 2020

Surface Modified Polypropylene Membranes For Treating Hydraulic Fracturing Produced Waters By Membrane Distillation, Tharaka Hawpe Gamage

Graduate Theses and Dissertations

Membrane distillation is an emerging technology for treating hydraulic fracturing flowback and produced waters. Suppression of membrane fouling by inorganic and polar and non-polar organic compounds is a challenge. Here polyhydroxyethyl methacrylate, polyacrylic acid, polvinylallyl imidazolium bromide and polyvinylhexyl imidazolium bromide chains have been grafted from the membrane surface. Fouling is initially due to adsorption of organic compounds followed by scale formation. When challenged with produced water, membranes modified with polvinylallyl imidazolium bromide chains provided the greatest resistance to fouling. For EC pretreated produced water and synthetic produced water that contained mainly inorganic species, the flux decline was much less.