Objective
A proof-of-concept software tool for microkinetic model construction, ready for commercialization will be developed starting from an available version of the tool that has been validated in an academic research context.
A detailed understanding of the elementary steps involved in large-scale chemical reactions provides several advantages: it may not only lead to a better control of the corresponding processes and, hence, safer operation, it also provides a sound basis for enhanced process design. More particularly in the area of catalysis, material development has typically occurred using trial-and-error procedures. While the number of catalysts that could be evaluated has been augmented by so-called high-throughput techniques, an adequate understanding of the underlying phenomena was still limited. Microkinetic modeling is ideally suited to get a view on these phenomena, as it accounts for all elementary steps in the reaction mechanism without any simplifying assumption.
The construction of such microkinetic models and corresponding determination of kinetics and catalyst descriptors is not straightforward and requires dedicated (software) tools. The microkinetic engine (μKE), developed within the ‘Catalytic Reaction Engineering’ research group of the Laboratory for Chemical Technology at Ghent University, is such a unique piece of software to facilitate microkinetic model construction. Without requiring any programming from the end-user, kinetic models based on elementary steps can be developed. It allows identifying the kinetically relevant steps that entail the opportunity to further improve the concerned catalytic materials and, implicitly, also the reactors and processes in which they are employed. The microkinetic engine has been validated against in-house data as well as within a limited number of - exclusive - collaborations. Its anticipated commercialization requires enhanced robustness, complementary functionalities and an increased user friendliness.
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.
- natural sciences computer and information sciences software
- natural sciences chemical sciences catalysis
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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.1.1. - EXCELLENT SCIENCE - European Research Council (ERC)
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.
ERC-POC - Proof of Concept Grant
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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) ERC-2015-PoC
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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.
9000 GENT
Belgium
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.