Objective
To process oil containing large amount of sulfur compounds and to fulfill stricter and stricter pollution norms, a new generation of transition metal sulfides (TMS) catalysts for hydrodesulfurization (HDS) is needed to get better performances for activity, poison resistance and selectivity. Although we have already some knowledge on HDS chemistry we do not understand all the controlling mechanisms steps in heterogeneous HDS catalysis.
First principle quantum chemical calculations with Density Functional Theory (DFT) will be applied to model the TMS catalyst-reactants systems. DFT allows us to a qualitative and quantitative approach. It is now possible to obtain accurate results for structures and energies. Based on this informations reaction paths can be investigate and compare to experiments.
The main objective is to acquire a thorough understanding in order to help for the design of new HDS catalysts.
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 earth and related environmental sciences environmental sciences pollution
- 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.
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
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Funding Scheme
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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
5600 MB Eindhoven
Netherlands
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.