[No abstract available] / Science, Faculty of / Chemistry, Department of / Graduate

Equations of change for the various hydrodynamic densities are derived for a dilute gas with degenerate internal states. To obtain a consistent set of hydrodynamic equations it is necessary to expand the collision term of the usual Waldmann-Snider Boltzmann equation (W-S equation) in position gradients of the distribution function [formula omitted]. In particular, the extension of the W-S equation to terms "linear" in the position gradients of [formula omitted] yields the correct form for the equation of change for the internal angular momentum density. Specifically, the production term in this equation of change is t he antisymmetric part of the pressure tensor, which is in accord with a hydrodynamic derivation. In addition, equations of change for the mass density, linear momentum density, and total energy density are also obtained. These results are shown to be similar to equations of change derived via a density-operator technique. Unfortunately, this " linear" extension of the W-S equation does not give a closed set of equations of change. However, a consistent set of equations is obtained if a restriction is placed on the form of the extended W-S equation. / Science, Faculty of / Chemistry, Department of / Graduate

A classical gas whose particles interact through a weak long range attraction and a strong short range repulsion is studied. The Liouville equation is solved as an infinite order perturbation expansion. The terms in this series are classified by Prigogine type diagrams according to their order in the ratio of the range of the interaction to the average interparticle distance. It is shown that., provided the range of the short range force is much less than the average interparticle distance which in turn is much less than the range of the long range forces the terms can be grouped into two classes. The one class, represented by chain diagrams, constitutes the significant contributions of the short range interaction; the other, represented by ring diagrams, makes up, apart from a self-consistent field term, the significant contributions from, the long range force. These contributions are summed to yield a kinetic equation. The orders of magnitude of the terms in this equation are compared for various ranges of the parameters of the system. Retaining only the dominant terms then produces a set of eight kinetic equations each of which is valid for a definite range of the parameters of the system. The short-time stability of the system is examined and a criterion for stability obtained. The equilibrium two-particle correlation function and an equation of state are determined, the latter being compared to the Van de Waals equation of state. / Science, Faculty of / Physics and Astronomy, Department of / Graduate

This thesis is divided into two parts. In Part A the reference hypernetted-chain (RHNC) approximation is solved for a fluid of hard spheres with embedded point dipoles and linear quadrupoles. The thermodynamic properties, the dielectric constant, ∈, and the pair correlation function are compared with previously calculated Monte Carlo data as well as with results from other integral equation methods. The RHNC is found to closely approximate the Monte Carlo results and is shown to improve on the other methods. In Part B a self-consistent mean field theory for molecular polarizability is used, together with the RHNC approximation used in Part A, for a polarizable dipole-linear quadrupole fluid with ammonia-like parameters. The dielectric constant is calculated at three sub-critical temperatures and it is found to be quite sensitive to the quadrupole moment. Experimental results for ∈ are shown to be well within the uncertainty, set by the quadrupole moment, in the calculated ∈ values. These calculated ∈ values are shown to be significantly larger than the dielectric constants for the equivalent non-polarizable system. / Science, Faculty of / Chemistry, Department of / Graduate

When performances engage with their set design, they become more powerful, more intricate. The atmosphere gets woven into every element on the stage. The performance arts have the ability to surpass the conventional as they begin to mold with other disciplines, immersing the audience into a multi-faceted experience. Many performances today are conceptualized, rehearsed, and performed on "blank canvasses" - from one small wooden room with a mirror to one large wooden room with hundreds of new faces staring back. Imagine architecture created in this manner: without site as a constraint, without site as an inspiration. Our surroundings are essential in the design process, and when that is taken away, our designs become placeless, lacking grounded conviction. By implementing a stage design that will become the site for the artist's work, one challenges the artist by providing them with a set of rules they can abide by or dispute. This will in turn make their work stronger as their concept gets applied in various mentions. Architecture has the potential to become that site for performance. Artists constantly find inspiration in daily life: Paul Taylor choreographs from the pedestrian movement of the busy urban corridors; John Cage composes music from the ambient noise of an airport. Inspiration is everywhere, and can be particularly compelling when discovered in daily life. Just as the pedestrian can be conceived as the performer, architecture can be conceived as the stage. Once this is realized, one begins to question the role of the theater. Is the theater just a container for the stage? If the stage design is constantly being reconfigured, what if the architecture of the theater began to respond to this? By inverting the norm and placing the stage on the envelope of the building, one begins to fully experience the architecture as the stage and, in turn, the world as the theater. / 0 / SPK / specialcollections@tulane.edu

This project explores solutions to the projected challenges costal housing will face over the course of the next twenty years. Most specifically the main focus will be the challenge of global warming and rising sea levels. This project will attempt to create a model of coastal architecture that can act as a precedent and solution to the costal architecture of the future.

No description available.

Dynamic kinetic resolution (DKR) is a powerful method for obtaining compounds with high optical purity. The process relies on the combination of a kinetic resolution with an in situ racemization. In this thesis, a combination of an immobilized hydrolase and a transition metal-based racemization catalyst was employed in DKR to transform racemic alcohols and amines into enantioenriched esters and amides, respectively. In the first part the DKR of 1,2-amino alcohols with different rings sizes and N-protecting groups is described. We showed that the immobilization method used to support the lipase strongly influenced the stereoselectivity of the reaction. The second part deals with the DKR of C3-functionalized cyclic allylic alcohols affording the corresponding allylic esters in high yields and high ee’s. The protocol was also extended to include carbohydrate derivatives, leading to inversion of a hydroxyl substituted chiral center on the carbohydrate. The third part focuses on an improved method for obtaining benzylic primary amines. By using a novel, recyclable catalyst composed of Pd nanoparticles on amino-functionalized mesocellular foam, DKR could be performed at 50 °C. Moreover, Lipase PS was for the first time employed in the DKR of amines. In the fourth part DKR was applied in the total synthesis of Duloxetine, a compound used in the treatment of major depressive disorder. By performing a six-step synthesis, utilizing DKR in the enantiodetermining step, Duloxetine could be isolated in an overall yield of 37% and an ee &gt;96%. In the final part we investigated how the enantioselectivty of reactions catalyzed by Candida Antarctica lipase B for δ-substituted alkan-2-ols are influenced by water. The results showed that the enzyme displays much higher enantioselectivity in water than in anhydrous toluene. The effect was rationalized by the creation of a water mediated hydrogen bond in the active site that helps the enzyme form enantiodiscriminating binding modes. / <p>At the time of the doctoral defense, the following paper was unpublished and had a status as follows: Paper 3: Manuscript.</p>

<p>“In many interesting papers on discrete velocity models (DVMs), authors postulate from the beginning that the finite velocity space with "good" properties is given and only after this step they study the Discrete Boltzmann Equation. Contrary to this approach, our aim is not to study the equation, but to discuss all possible choices of finite phase spaces (sets) satisfying this type of "good" restrictions. Due to the velocity discretization it is well known that it is possible to have DVMs with "spurious" summational invariants (conservation laws which are not linear combinations of physical invariants). Our purpose is to give a method for constructing normal models (without spurious invariants) and to classify all normal plane models with small number of velocities (which usually appear in applications). On the first step we describe DKMs as algebraic systems. We introduce for this an abstract discrete model (ADM) which is defined by a matrix of reactions (the same as for the concrete model). This matrix contains as rows all vectors of reactions describing the "jump" from a pre-reaction state to a new reaction state. The conservation laws corresponding to the many-particle system are uniquely determined by the ADM and do not depend on the concrete realization. We find the restrictions on ADM and then we give a general method of constructing concrete normal models (using the results on ADMs). Having the general algorithm, we consider in more detail, the particular cases of models with mass and momentum conservation (inelastic lattice gases with pair collisions) and models with mass, momentum and energy conservation (elastic lattice gases with pair collisions).”</p>

“In many interesting papers on discrete velocity models (DVMs), authors postulate from the beginning that the finite velocity space with "good" properties is given and only after this step they study the Discrete Boltzmann Equation. Contrary to this approach, our aim is not to study the equation, but to discuss all possible choices of finite phase spaces (sets) satisfying this type of "good" restrictions. Due to the velocity discretization it is well known that it is possible to have DVMs with "spurious" summational invariants (conservation laws which are not linear combinations of physical invariants). Our purpose is to give a method for constructing normal models (without spurious invariants) and to classify all normal plane models with small number of velocities (which usually appear in applications). On the first step we describe DKMs as algebraic systems. We introduce for this an abstract discrete model (ADM) which is defined by a matrix of reactions (the same as for the concrete model). This matrix contains as rows all vectors of reactions describing the "jump" from a pre-reaction state to a new reaction state. The conservation laws corresponding to the many-particle system are uniquely determined by the ADM and do not depend on the concrete realization. We find the restrictions on ADM and then we give a general method of constructing concrete normal models (using the results on ADMs). Having the general algorithm, we consider in more detail, the particular cases of models with mass and momentum conservation (inelastic lattice gases with pair collisions) and models with mass, momentum and energy conservation (elastic lattice gases with pair collisions).”