Project description
Efficient chemical separation based on metal–organic frameworks
Chemical separation technologies account for 15 % of the world’s entire energy consumption. Funded by the Marie Skłodowska-Curie Actions programme, the XYMOF project will focus on the separation of xylene, a common chemical produced on an enormous scale, which is challenging owing to the very similar physical properties of its isomers. Combining molecular simulations, data analysis and artificial intelligence, the project aims to identify suitable metal–organic frameworks for xylene separation. Highly selective materials, used as a membrane or in the adsorption unit, would greatly facilitate xylene separation and lead to significant energy savings.
Objective
Chemical separation technologies consume 15% of the global energy. Separation of xylene, a common chemical produced on an enormous scale, is one of the most difficult cases, due to very similar physical properties of xylene isomers. This project will address this challenge by identifying an adsorptive material with superior selectivity towards the desired isomer, compared to the current state-of-the-art adsorbents. A very selective material, used as a membrane or in the adsorption unit, would make a step-change in the xylene separation technologies and lead to significant energy savings. To achieve this overall objective, I put together a novel computational strategy by combining molecular simulations, data analysis and AI methods. Using this strategy, I will mine tens and hundreds of thousands of real and hypothetical materials that already exist within the Material Genome, a global space of possible materials and their features. The focus of the project will be on Metal-Organic frameworks (MOFs) since they already show a particular promise for difficult separations. Specific scientific objectives of the project aim to i) understand what MOFs are promising for xylene separations ii) what structural features of MOFs are responsible for their specific behaviour iii) and then, using the AI models, design MOFs with superior xylene separation performance.
The progress will be enabled by i) an outstanding research environment of the host group, Prof. Sarkisov, and the infrastructure of the University of Manchester; ii) interdisciplinary and intersectoral collaborations with the leading academics and companies (Prof. Goodwin, University of Oxford, Dr. Pullumbi, Air Liquide); iii) excellent training and professional development opportunities.
Together, the environment of the fellowship and the pioneering research idea in application to the societally relevant and challenging problem, will make this project a stepping stone for my independent academic career.
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.
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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.
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H2020-EU.1.3. - EXCELLENT SCIENCE - Marie Skłodowska-Curie Actions
MAIN PROGRAMME
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H2020-EU.1.3.2. - Nurturing excellence by means of cross-border and cross-sector mobility
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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.
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.
MSCA-IF - Marie Skłodowska-Curie Individual Fellowships (IF)
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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.
(opens in new window) H2020-MSCA-IF-2020
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Net EU financial contribution. The sum of money that the participant receives, deducted by the EU contribution to its linked third party. It considers the distribution of the EU financial contribution between direct beneficiaries of the project and other types of participants, like third-party participants.
M13 9PL Manchester
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.