Expansion of a porous organic molecular material induced by gas pressure

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dc.contributor.advisorBarbour, Leonard Jamesen_ZA
dc.contributor.authorMathada, Gundoen_ZA
dc.contributor.otherStellenbosch University. Faculty of Science. Dept. of Chemistry and Polymer Science.en_ZA
dc.date.accessioned2024-03-04T14:40:02Zen_ZA
dc.date.accessioned2024-04-26T19:24:00Zen_ZA
dc.date.available2024-03-04T14:40:02Zen_ZA
dc.date.available2024-04-26T19:24:00Zen_ZA
dc.date.issued2024-03en_ZA
dc.descriptionThesis (MSc)--Stellenbosch University, 2024.en_ZA
dc.description.abstractENGLISH ABSTRACT: The interplay between external stimuli and the structural properties of crystalline materials holds immerse potential for the design of novel functional materials. In this study, the intriguing phenomenon of reversible elongation of an organic crystal in response to gas pressure (carbon dioxide and ethylene) was investigated. Through a comprehensive experimental approach combining series in situ crystallography, gas sorption isotherm measurements, and photomicroscopy, we elucidate the molecular-level mechanisms underlying this behaviour. The findings of this study reveal that gas molecules infiltrate the intricate 0D cavities within the crystal lattice, prompting subtle adjustments in molecular arrangement to accommodate the guest species. The molecular rearrangement (with no phase changes), manifested as an elongation of the crystallographic c axis, is observed across varying gas pressures and molecular environments. Notably, the empirical modelling of gas-induced elongation using the Sips equation provides valuable insights into the relationship between gas pressure and crystal expansion. The in-house instruments were utilized throughout this study to investigate the observed phenomena in the crystalsen_ZA
dc.description.abstractAFRIKAANSE OPSOMMING: Die wisselwerking tussen eksterne stimuli en die strukturele eienskappe van kristallyne materiale hou onderdompel potensiaal in vir die ontwerp van nuwe funksionele materiale. In hierdie studie ondersoek ons die intrigerende verskynsel van omkeerbare verlenging van 'n organiese kristal in reaksie op gasdruk (koolstofdioksied en etileen). Deur middel van 'n omvattende eksperimentele benadering wat reekse in situ kristallografie, gassorpsie-isotermmetings en fotomikroskopie kombineer, verduidelik ons die molekulêre vlak meganismes onderliggend aan hierdie gedrag. Ons bevindings toon dat gasmolekules die ingewikkelde 0D-holtes binne die kristalrooster infiltreer, wat subtiele aanpassings in molekulêre rangskikking veroorsaak om die gasspesies te akkommodeer. Die molekulêre herrangskikking (sonder faseveranderings), wat manifesteer as 'n verlenging van die kristallografiese c-as, word waargeneem oor verskillende gasdruk en molekulêre omgewings. Die empiriese modellering van gas-geïnduseerde verlenging met behulp van Sips-vergelyking bied veral waardevolle insigte in die verband tussen gasdruk en kristaluitbreiding. Die interne instrumente is gedurende hierdie studie gebruik om die waargenome verskynsels in die kristalle te ondersoek.en_ZA
dc.description.versionMastersen_ZA
dc.format.extentviii, 75 pages : illustrationsen_ZA
dc.identifier.urihttps://scholar.sun.ac.za/handle/10019.1/130487en_ZA
dc.language.isoen_ZAen_ZA
dc.language.isoen_ZAen_ZA
dc.publisherStellenbosch : Stellenbosch Universityen_ZA
dc.rights.holderStellenbosch Universityen_ZA
dc.subject.lcshCrystallographyen_ZA
dc.subject.lcshPorous materials -- Thermal propertiesen_ZA
dc.subject.lcshExpansion (Heat)en_ZA
dc.subject.lcshHydrostatic pressureen_ZA
dc.subject.lcshMolecular crystalsen_ZA
dc.titleExpansion of a porous organic molecular material induced by gas pressureen_ZA
dc.typeThesisen_ZA
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Masters Degrees (Chemistry and Polymer Science)