Global ETD Search
Search theses and dissertations gathered from participating repositories worldwide. Every result links back to the library that holds it. No account is needed.
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Showing 1 to 20 of 51 for “"intermolecular forces"”.
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Elucidating the Electronic Origins of Intermolecular Forces in Crystalline Solids
… almost any physical system without considering intermolecular forces (IMFs), no matter how insignificant they may appear relative to other energetic factors. Countless studies have shown that IMFs are responsible for governing a wide variety of physical properties, but often the atomic-origins …
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Perturbation theory for intermolecular forces; Application to some adsorption models
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Evidence of Student Learning of Spectrophotometry and Intermolecular Forces in the Chemistry Laboratory
… resource activation in a laboratory activity on intermolecular forces (IMFs) where they were asked to explain the appearance of water droplets on glass slides that were modified with alkoxysilanes. The lab engages students in constructing explanations that bridge macroscopic observations and …
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On the Nature of Weak Intermolecular Forces: a First Principles Approach to Hydrogen Bonding and Pi-Type Interactions
… Chapter 2. Hydrogen bonding and dispersion forces are defined in Chapter 3, and the procedures used to computationally study these type interactions are considered. Chapter 4 discusses the effects of ?-stacking interactions between aromatic amino acid side chains and adenine bearing ligands …
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The Dynamics of Gas-Surface Energy Transfer in Collisions of Diatomic Gases with Organic Surfaces
… between gas molecules and surfaces? How do intermolecular forces affect the interfacial interaction dynamics? We have approached these questions by scattering diatomic gas molecules from functionalized self-assembled monolayers (SAMs). Our results indicate that the intermolecular forces …
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Some Problems Connected with the Boltzmann Equation
… the motion is completely specified by giving the intermolecular forces.</p>
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Evaluation of the Energetic Factors in Crystalline Pharmaceuticals Using Solid-state Density Functional Theory and Low-frequency Vibrational Spectroscopy
… such as the packing arrangement and the intermolecular forces present. Accurate quantum mechanical simulations allow us to determine the exact motions associated with specific low-frequency vibrational modes and this work demonstrates that large pharmaceuticals, including ones with …
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Scavenging of atmospheric particles by water drops
… <p>In the second paper, the effects of intermolecular forces on the collection efficiency of submicron aerosol particles are studied. It is assumed that the intermolecular forces provide a certain region as an absorbent surface in the vicinity of the drop. Numerical results have been …
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Organic materials for second-order nonlinear optics: Approaches to optimizing and stabilizing nonlinear optical effects
… dipolar ordering, poling dynamics, and intermolecular forces in organic materials were investigated. A second objective has been to identify mechanisms to optimize and stabilize second harmonic generation (SHG) signals through materials processing techniques. This investigation includes …
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Simulating exciton dynamics in organic semiconductors
… heterogeneous due to the weak van der Waals intermolecular forces. In this thesis we utilize computational and theoretical methods to investigate how this heterogeneity affects the electronic properties in organic semiconductors. In particular, we focus on two microscopic processes …
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Halo- and organogold(I) complexes as potential metallomesogens
… crystal behaviour. As molecular structure and intermolecular forces play a major role in liquid crystal chemistry, changing the nature of the R and L groups result in changes mesomorphic properties. The aim of the project was to synthesise RAuL complexes with stilbazole ligands and to …
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An Unprecedented Research Project into the Alcohol Retention Variation of Flavored Spirits
… inaccurate ABV determination. We hypothesize the intermolecular forces present in these beverages are significantly altered by the presence of sugar, which in turn leads to the observed inaccuracies in ABV measured through distillation. We used additives such as NaCl and NaOH to strategically and …
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Ion Transport, Viscoelastic, and Thermal Properties of Several Poly(Ethylene Glycol) and Poly(Propylene Glycol) Based Polymer Electrolytes
… were between 0.3 and 0.6 indicating that forces besides viscosity impede the ionic conductivity. These forces can include polymer rigidity, dissociation constant and the blocking of H+ channels. Most of the copolymer electrolytes had similar ? values which indicates that the same forces …
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Nanoscale thermal systems in subcritical region
… simulation. The fluid used is argon and the intermolecular forces are represented by the Lennard-Jones potential. The simulations show that the phase change in a nanoscale system becomes continuous as opposed to the constant temperature and constant pressure phase change for a macroscale …
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Hard and soft coatings on gold nanoparticles at the nano-bio interface
… gold nanorods. Chapter 5 explores the driven intermolecular forces in protein corona formation and the orientation of the protein corona on gold nanoparticles by an adapted BCA assay and limited proteolysis.
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Nanomechanics and ultrastructural studies of cortical bone : fundamental insights regarding structure-function, mineral-organic force mechanics interactions, and heterogeneity
… ductility through mechanical heterogeneity, and intermolecular forces. To show that mineral content had a significant effect on both nanomechanical properties and ultrastructural deformation mechanisms of bone, partial and complete demineralization was carried out to produce samples ranging from …
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Studies of plume condensation contamination upon surfaces of the Terrestrial Planet Finder spacecraft
… were predicted with a model to solve for intermolecular forces, and experimental data was used to assess the model's validity. Knowledge of the heat of adsorption was used to determine the equilibrium level of surface coverage for both a pulsed and constant operation thruster, for a range …
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Strength Development at Incompatible Polymer Interfaces
… than the work of adhesion calculated using intermolecular forces. For the copolymer-homopolymer pairs, the maximum plateau strength was reached when the interaction parameter was a minimum. These results are in agreement with a model of the interface based on current molecular theories of …
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