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  • About
  • The Global ETD Search service is a free service for researchers to find electronic theses and dissertations. This service is provided by the Networked Digital Library of Theses and Dissertations.
    Our metadata is collected from universities around the world. If you manage a university/consortium/country archive and want to be added, details can be found on the NDLTD website.
81

Independent sets and closed-shell independent sets of fullerenes

Daugherty, Sean Michael 06 October 2009 (has links)
Fullerenes are all-carbon molecules with polyhedral structures where each atom is bonded with three other atoms and the faces of the polyhedron are pentagons and hexagons. Fullerene graphs model the fullerene structures and are cubic planar graphs having twelve pentagonal faces and the remaining faces are hexagonal. This work explores two models that seek to determine the maximum number of bulky addends that may bond to the surface of a fullerene. The first model assumes that any two bulky addends are too large to bond to adjacent carbon atoms. This is equivalent to finding a graph-theoretical maximum independent set: a vertex subset of maximum size such that no two vertices are adjacent. The problem of determining the maximum independent set order is NP-hard for general cubic planar graphs and the complexity for the fullerene subclass was previously unknown. By extending the work of Graver, a graph-theoretical foundation is laid then used to derive a linear-time algorithm for solving the maximum independent set problem for fullerenes. A discussion of the relationship between maximum independent sets and some specific families of fullerenes follows. The second model refines the first by adding an additional requirement that the resulting molecule is stable according to Hückel theory: the molecule exhibits a stable distribution of π electrons. The graph-theoretical description of this model is a maximum closed-shell independent set: a vertex subset of maximum size such that no two vertices are adjacent and exactly half of the eigenvalues of the adjacency matrix of the graph that results from the deletion of the vertex subset are positive. Computations for finding a maximum closed-shell independent set rely on determining whether fullerene subgraphs are closed-shell (satisfy the eigenvalue requirement) so a linear-time algorithm for finding the inertia (number of negative, zero, and positive eigenvalues) of unicyclic graphs is given. This algorithm is part of an exponential-time algorithm for finding a maximum closed-shell independent set of a fullerene molecule that is fast enough for practical use. An improved upper bound of 3n/8 + 3/2 for the closed-shell independence number is included.
82

Education for Sustainable Chemistry : An Analysis of Sustainability in Chemistry and Chemical Engineering Courses on the Bachelor Level at KTH

Enlund, Pontus January 2023 (has links)
A programme analysis of the compulsory courses at the bachelor level of the KTH Royal Institute of Technology study programme Engineering Chemistry was conducted in order to evaluate how sustainable development is integrated and progressed as well as the attitudes toward sustainable development from the faculty. The analysis built on governing documents as well as interviews with examiners and students. To evaluate the results of this data corpus, thematic analysis was applied, which resulted in themes of environmental focus, poor progression, vague learning objectives and student-teacher disconnect. However, the sustainable development content within the courses appeared to be majorly integrated. In order to use these results for an evaluation of sustainable development the CDIO standard framework was applied, in combination with an unpublished framework by Anders Rosén. This resulted in the programme being evaluated to beat level 2 in the sustainable development standard, with high proximity to level 3. This evaluation culminated in a development project, where suggestions mainly focused on increasing content pertaining to skills for sustainable development, covering more than environmental sustainability as well as increasing integration and progression throughout the programme. / En programanalys av de obligatoriska kandidatkurserna på civilingenjörsprogrammet Teknisk kemi på KTH genomfördes för att utvärdera hur hållbar utveckling integreras och huruvida det finns en etablerad progression samt lärarkårens attituder gentemot ämnet. Analysen tog empiri från styrdokument samt intervjuer med examinatorer och studenter. För att utvärdera resultaten av denna data tillämpades innehålls respektive tematisk analys, vilket resulterade i teman: fokus på miljö, svag progression, vaga lärandemål och skilda uppfattningar mellan lärare och studenter. Integrationen framstod som välutförd genom programmet enligt lärarkåren. För att kunna bruka dessa resultat i utvärderingen av hållbar utveckling tillämpades CDIO:s standarder i kombination med fyr-aspekt ramverket. Detta gav programmet en nivå av 2 i standarden för hållbar utveckling, med en hög närhet till nivå 3. Utvärderingen resulterade i ett utvecklingsprojekt, resulterande i förslag med huvudsakligt fokus på att öka innehållet av färdigheter för hållbar utveckling, bredda från enbart miljömässig hållbarhet samt öka integration och progression genom hela kandidaten.
83

Sustainable Chemistry : An Analysis of Sustainability in Chemistry and Chemical Engineering Courses on the Bachelor Level at KTH

Enlund, Pontus January 2023 (has links)
A programme analysis of the compulsory courses at the bachelor level of the KTH Royal Institute of Technology study programme Engineering Chemistry was conducted in order to evaluate how sustainable development is integrated and progressed as well as the attitudes toward sustainable development from the faculty. The analysis built on governing documents as well as interviews with examiners and students. To evaluate the results of this data corpus, thematic analysis was applied, which resulted in themes of environmental focus, poor progression, vague learning objectives and student-teacher disconnect. However, the sustainable development content within the courses appeared to be majorly integrated. In order to use these results for an evaluation of sustainable development the CDIO standard framework was applied, in combination with an unpublished framework by Anders Rosén.  This resulted in the programme being evaluated to be at level 2 in the sustainable development standard, with high proximity level 3. This evaluation culminated in a development project, where suggestions mainly focused on increasing content pertaining to skills for sustainable development, covering more than environmental sustainability as well as increasing integration and progression throughout the programme. / En programanalys av de obligatoriska kandidatkurserna på civilingenjörsprogrammet Teknisk kemi på KTH genomfördes för att utvärdera hur hållbar utveckling integreras och huruvida det finns en etablerad progression samt lärarkårens attituder gentemot ämnet. Analysen tog empiri från styrdokument samt intervjuer med examinatorer och studenter. För att utvärdera resultaten av denna data tillämpades innehålls respektive tematisk analys, vilket resulterade i teman: fokus på miljö, svag progression, vaga lärandemål och skilda uppfattningar mellan lärare och studenter. Integrationen framstod som väl utförd genom programmet enligt lärarkåren. För att kunna bruka dessa resultat i utvärderingen av hållbar utveckling tillämpades CDIO:s standarder i kombination med fyr-aspekt ramverket. Detta gav programmet en nivå av 2 i standarden för hållbar utveckling, med en hög närhet till nivå 3. Utvärderingen resulterade i ett utvecklingsprojekt, resulterande i förslag med huvudsakligt fokus på att öka innehållet av färdigheter för hållbar utveckling, bredda från enbart miljömässig hållbarhet samt öka integration och progression genom hela kandidaten.

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