Project description
Metal-organic frameworks and binder composites development
To reduce CO2 emissions, large-scale carbon capture technologies are essential, often relying on porous metal-organic frameworks (MOFs). Typically available in small forms, MOFs need shaping with polymer binders to function effectively in adsorption systems. However, current design practices lack clear guidelines. Supported by the Marie Skłodowska-Curie Actions programme, the MOFBINDER project will develop a computational method to design MOF-binder composites with improved mechanical properties and controlled porosity. By combining parallel molecular simulations and machine learning applied to both simulated and existing data, the project aims to establish an efficient screening process. This work will also integrate with the process-informed design of tailor-made sorbent materials platform, which links material design, process optimisation, techno-economics, and life-cycle assessment.
Objective
Reducing CO2 emissions urgently requires the deployment of large-scale carbon capture technologies, many of which are being developed using innovative materials like porous metal-organic frameworks (MOFs). However, MOFs are typically synthesized as small crystals or powders, making them unsuitable for adsorption systems due to the high-pressure drops caused by fine particles. To address this issue, MOFs must be shaped into larger particles using polymer binders. While studies have explored MOF materials combined with binders, no clear guidelines exist, and the design process is often based on trial and error.
This project aims to develop a computational approach for designing MOF-binder composites with enhanced mechanical properties and controlled porosity. By utilizing parallel molecular simulations, we will predict the interface properties in a high-throughput manner. Machine learning techniques, drawing from both simulated and literature-mined data, will enable the development of a robust screening method. Additionally, our work will be integrated with the state-of-the-art Process-Informed design of tailor-made Sorbent Materials (PrISMa) platform, which connects material design, process optimization, techno-economics, and life-cycle assessment. This integration will allow for the evaluation and comparison of MOF formulations in terms of their greenhouse gas emissions throughout the lifecycle of the carbon capture plant, addressing one of the final steps in the deployment of carbon capture technologies.
To achieve these goals, the Researcher will receive training in high-throughput atomistic simulation workflows, materials informatics, and machine learning for material discovery, along with a holistic engineering approach through PrISMa. Moreover, this project offers the Researcher the opportunity to apply her expertise to the field of composite design, bridging fundamental science with industry-oriented perspectives actively pursued at IMDEA Materials Institute
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 composites
- natural sciences chemical sciences polymer sciences
- engineering and technology environmental engineering carbon capture engineering
- natural sciences computer and information sciences artificial intelligence machine learning
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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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HORIZON.1.2 - Marie Skłodowska-Curie Actions (MSCA)
MAIN PROGRAMME
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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.
HORIZON-TMA-MSCA-PF-EF - HORIZON TMA MSCA Postdoctoral Fellowships - European Fellowships
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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) HORIZON-MSCA-2024-PF-01
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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.
28906 Getafe
Spain
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.