Rational Design and Synthesis of Zeolitic Imidazolate Frameworks (ZIFs): an experimental and statistical approach

Projektinformationen

DASZIF

ID Finanzhilfevereinbarung: 236665

Projekt abgeschlossen

Startdatum 1 September 2009

Enddatum 31 August 2011

Finanziert unter

• Specific programme "People" implementing the Seventh Framework Programme of the European Community for research, technological development and demonstration activities (2007 to 2013)

Gesamtkosten € 172 434,64

EU-Beitrag € 172 434,64

Koordiniert durch

THE UNIVERSITY OF EDINBURGH
United Kingdom

Ziel

One of the novel and most promising alternatives to combine the advantages of microporous zeolites and metal organic frameworks (i.e. high porosity, framework diversity, transition metal centers and tailored linkers) resides in the nanoporous imidazole-based MOFs: zeolitic imidazole frameworks (ZIFs). ZIFs comprise a network of corner units (transition metals) and linker units (imidazole molecules which can be further functionalised) that allow a manifold of frameworks due to their structural analogy to zeolites). ZIFs offer many interesting and promising features compared with other porous materials, such as the possibility to tailor these materials for specific applications; different framework zeolite structures, with different cavities and windows; and exceptional chemical stability in refluxing organic solvents, water, and aqueous alkaline solution, compared with other MOFs. Yet to date, the discovery of promising novel porous materials for specific adsorption applications is happening by trial and error rather than by rational design. In this way, molecular simulations provide an outstanding tool to predict the performance of the materials and, like so, to select the optimal structures for a given application. This project will address three objectives: i) identify optimal ZIFs structures through the simulation of its adsorption performance, ii) the synthesis and characterisation of pre-selected ZIFs using different computational and experimental techniques, iii) the assessment of their performance for industrial applications by simulations and experiments. More specifically, the target applications are: a) gas separation of CO2/CH4 and xylenes mixtures as well as gas purification; b) storage of CH4 and H2; c) capture of CO2. The novelty of this work lies in the synergetic combination of tools from different areas and disciplines to produce advances that are of both fundamental scientific interest and of engineering relevance in industrial applications

Wissenschaftliches Gebiet

• engineering and technology › materials engineering › crystals
• engineering and technology › environmental engineering › energy and fuels › fossil energy › natural gas

Schlüsselbegriffe

• Carbon dioxide capture
• Chemical engineering
• Computational chemistry
• Environmental chemistry
• Materials Engineering
• Nanotechnology
• Organometallic chemistry
• disposal (Climate change)
• storage

Programm/Programme

• FP7-PEOPLE - Specific programme "People" implementing the Seventh Framework Programme of the European Community for research, technological development and demonstration activities (2007 to 2013)

Thema/Themen

• FP7-PEOPLE-IEF-2008 - Marie Curie Action: "Intra-European Fellowships for Career Development"

Aufforderung zur Vorschlagseinreichung

FP7-PEOPLE-IEF-2008
Andere Projekte für diesen Aufruf anzeigen

Finanzierungsplan

MC-IEF - Intra-European Fellowships (IEF)

Koordinator

THE UNIVERSITY OF EDINBURGH

Kontakt Verwaltung

Angela Noble (Ms.)

• EU-Beitrag: € 172 434,64
• Adresse: OLD COLLEGE, SOUTH BRIDGE ; EH8 9YL Edinburgh ; Vereinigtes Königreich
• Region: Scotland › Eastern Scotland › Edinburgh
• Aktivitätstyp: Higher or Secondary Education Establishments
• Gesamtkosten: Keine Daten