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Showing 1 to 16 of 16 for “"packing structure"”.
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Altering the Crystal Packing of Boronsubphthalocyanine Derivatives through Molecular Engineering
There are currently three known crystal packing motifs of boronsubphthalocyanine derivatives. Each motif is associated with a particular class of BsubPc derivatives, and none are ideal for organic electronic applications according to the criteria we defined for evaluation: having a continuous …
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Polarization Controlled Coherent Anti-Stokes Raman Scattering Microscopy for Determination of Structural Order of the Myelin Sheath
… begins to loosen from their native organized packing structure. In the early stages this is not visible by conventional microscopy, however polarization-resolved CARS can measure the increasing disorder in the arrangement of the bonds before obvious morphological changes can occur. The degree …
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Stochastic and deterministic dynamics investigation of the microstructure of granular materials
… to the 17th century where Kepler studied the packing of particles. The compaction of granular materials is a problem that is studied by using theory, experiments and simulations. While these studies have yielded some important results, there still are many details about the mechanisms of …
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Experimental and computational analysis of random cylinder packings with applications
Random cylinder packings are prevalent in chemical engineering applications and they can serve as prototype models of fibrous materials and/or other particulate materials. In this research, comprehensive studies on cylinder packings were carried out by computer simulations and by experiments. The …
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EXPLORING THE INFLUENCE OF SIZE DISPERSITY ON MESOSCALE SELF-ASSEMBLY OF BIDISPERSE SYSTEM VIA MOLECULAR DYNAMICS
… process and the stability of the resultant structure. In-depth comprehension of these effects is necessary for a fundamental under- standing of structure formation in mesoscopic systems. The impact of size dispersity on the final assembled structures remains poorly explored and understood, …
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Theoretical investigations of the role of excluded volume, topological constraints, and attractive forces in the slow dynamics of soft matter systems
… for the force correlations in terms of the packing structure of the fluid we are able to predict a dramatic slowing down of collective dynamics and the possible transition to activated ""hopping"" motions. With these guiding principles, we studied the role of excluded volume, topology and …
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Role of strong attractive forces on the dynamics and mechanics of glass and gel forming soft materials
… the level of forces that relates interactions, structure, dynamics and mechanics. A major specific interest is how strong short-range attractive interactions that induce long-lived physical bonds impact activated dynamics, structural relaxation, and mechanics of very dense glass and gel forming …
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Mixed-gas Transport in Microporous Polymer Derivatives for Energy-Efficient Gas Separations
… materials with inefficient chain packing and high surface areas, resulting in pure-gas performance beyond that of traditional glassy polymers. Hybrid systems such as mixed-matrix membranes (MMMs) also emerged as a means of increasing overall separation performance and reducing …
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Gold(I) complexes and co oxidation catalysts
… monomeric units were revealed by X-ray crystal structure determinations. The aggregations are the result of secondary Au--Au interactions. These interactions are also apparent in the structures of the analogous complexes (RNC)AuCl (R = Et or Xy), which were characterised for comparative …
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Study of micro-sized particle deposition using DEM, CFD-DEM and SPH approach
Self-assembly and packing of colloids and micro or nano scale particles has become a subject of great interest due to widespread advancement of micro-scale technologies. In this thesis, several numerical analyses are performed to study the packing or self-assembly of micro or nano sized particles …
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Designing Functionality into Step-Growth Polymers from Liquid Crystallinity to Additive Manufacturing
… The choice of backbone and end group structure within these polymers drastically impacts the final material properties and processability emphasizing the necessity for thorough understanding of structure-property relationships. Seemingly simple changes, such as exchanging a monomer for …
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Free Volume Manipulation Techniques of Polymer Membranes for Gas Separations
… due to their rigid and contorted chemical structures, which increase the amount of free volume and gas throughput. The combination of high permeability and good selectivity exhibited by many PIMs have placed them near or above the Robeson upper bound, a standard metric used to compare …
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Modifying electronic and solid-state properties of fullerenes, polycyclic aromatic hydrocarbons, and perylene diimides
… strength and affects solid-state packing motifs. The molecular structures and solid-state packing of four other families of fluorine-modified polycyclic aromatic hydrocarbon substrates, corannulene, phenazine, triphenylene, and anthracene, were studied using single crystal XRD. Not …
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Functional application of iron-based metallic glasses in catalysis technology: Design and mechanism
… the atomic scale to compare the effect of atomic packing structures in amorphous and crystalline catalysts on dye degradation efficiency. The volume fractions of the crystalline structures, such as α-Fe, Fe2Si and Fe2B, in the as-received and annealed MGs are fully characterized. It is found that …
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Developing a methodology for characterising in-situ viscosity profiles in tumbling mills
… centrifugal effects that oppose the natural packing structure which results in an overall decrease in bulk density. The increased voidage allows more volume for relative motion, producing an overall increase in shear rate. The narrow shear rate range and the Bingham rheological behaviour of …
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2,4,6-Tris(isopropylamino)-1,3,5-trinitrobenzene : Probing the Impact of Crystal Packing Forces in the Dimorphs and the Cocrystals–Experimental and Theoretical Study
… of conformational effects of crystal packing. Here we describe their investigation by X-ray diffraction, thermal analysis, and computational methods (force field and ab-initio). The crystal and molecular structures were determined by X-ray diffraction. For thermal analysis …