Objective
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
Fields of science (EuroSciVoc)
CORDIS classifies projects with EuroSciVoc, a multilingual taxonomy of fields of science, through a semi-automatic process based on NLP techniques. See: The European Science Vocabulary.
CORDIS classifies projects with EuroSciVoc, a multilingual taxonomy of fields of science, through a semi-automatic process based on NLP techniques. See: The European Science Vocabulary.
- engineering and technology materials engineering crystals
- engineering and technology environmental engineering energy and fuels fossil energy natural gas
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Keywords
Project’s keywords as indicated by the project coordinator. Not to be confused with the EuroSciVoc taxonomy (Fields of science)
Project’s keywords as indicated by the project coordinator. Not to be confused with the EuroSciVoc taxonomy (Fields of science)
Programme(s)
Multi-annual funding programmes that define the EU’s priorities for research and innovation.
Multi-annual funding programmes that define the EU’s priorities for research and innovation.
Topic(s)
Calls for proposals are divided into topics. A topic defines a specific subject or area for which applicants can submit proposals. The description of a topic comprises its specific scope and the expected impact of the funded project.
Calls for proposals are divided into topics. A topic defines a specific subject or area for which applicants can submit proposals. The description of a topic comprises its specific scope and the expected impact of the funded project.
Call for proposal
Procedure for inviting applicants to submit project proposals, with the aim of receiving EU funding.
Procedure for inviting applicants to submit project proposals, with the aim of receiving EU funding.
FP7-PEOPLE-IEF-2008
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Funding Scheme
Funding scheme (or “Type of Action”) inside a programme with common features. It specifies: the scope of what is funded; the reimbursement rate; specific evaluation criteria to qualify for funding; and the use of simplified forms of costs like lump sums.
Funding scheme (or “Type of Action”) inside a programme with common features. It specifies: the scope of what is funded; the reimbursement rate; specific evaluation criteria to qualify for funding; and the use of simplified forms of costs like lump sums.
Coordinator
EH8 9YL Edinburgh
United Kingdom
The total costs incurred by this organisation to participate in the project, including direct and indirect costs. This amount is a subset of the overall project budget.