Matching Items (3)
Description
Zeolites are a class of microporous materials that are immensely useful as molecular sieves and catalysts. While there exist millions of hypothetical zeolite topologies, only 206 have been recognized to exist in nature, and the question remains: What distinguishes known zeolite topologies from their hypothetical counterparts? It has been found that all 206 of the known zeolites can be represented as networks of rigid perfect tetrahedra that hinge freely at the connected corners. The range of configurations over which the corresponding geometric constraints can be met has been termed the "flexibility window". Only a small percentage of hypothetical types exhibit a flexibility window, and it is thus proposed that this simple geometric property, the existence of a flexibility window, provides a reliable benchmark for distinguishing potentially realizable hypothetical structures from their infeasible counterparts. As a first approximation of the behavior of real zeolite materials, the flexibility window provides additional useful insights into structure and composition. In this thesis, various methods for locating and exploring the flexibility window are discussed. Also examined is the assumption that the tetrahedral corners are force-free. This is a reasonable approximation in silicates for Si-O-Si angles above ~135°. However, the approximation is poor for germanates, where Ge-O-Ge angles are constrained to the range ~120°-145°. Lastly, a class of interesting low-density hypothetical zeolites is evaluated based on the feasibility criteria introduced.
ContributorsDawson, Colby (Author) / Treacy, Michael M. J. (Thesis advisor) / O'Keeffe, Michael (Committee member) / Thorpe, Michael F. (Committee member) / Rez, Peter (Committee member) / Bennett, Peter (Committee member) / Arizona State University (Publisher)
Created2013
Description
While the use of super-cooled gasses as a tool for the study of macroscopic quantum effects has only become experimentally viable in recent years, theories involing such gasses have existed almost as long as quantum theory itself. Albert Einstein first proposed the concept of what is known today as a Bose-Einstein condensate; the driving principle behind his theory was a deliberate exploitation of the symmetric property of multiparticle bosonic wavefunctions. Specifically, since the Bose-Einstein statistics of bosons dic- tate that any arbitrary number of particles can occupy the same state, it is possible in an extremely low energy environment for particles on the order of Avagadro's number to all condense into the ground state. This state of matter is now called a Bose-Einstein condensate (hereafter referred to as a BEC). This state of matter is interesting because having such a large number of particles in the same state allows for the observation of macroscopic quantum effects.
ContributorsSpencer, Kwit (Author) / Schmidt, Kevin (Thesis director) / Treacy, Michael (Committee member) / Dawson, Colby (Committee member) / Barrett, The Honors College (Contributor) / College of Liberal Arts and Sciences (Contributor)
Created2012-12
Description
An account is given of the basic nets that are important in the description and design of metal-organic framework (MOF) structures. These are generally of minimal transitivity, a concept which is explained. Derived nets are defined and the advantages of using derived nets to describe the topology of MOF frameworks with multiple branch points are emphasized.
ContributorsO'Keeffe, Michael (Author) / Department of Chemistry and Biochemistry (Contributor)
Created2014-11-12