Objective
The use of renewable feedstocks by the chemical industry is fundamental due to both the depletion of fossil
resources and the increasing pressure of environmental concerns. Biomass can act as a sustainable source of
organic industrial chemicals; however, the establishment of a renewable chemical industry that is
economically competitive with the present oil-based one requires the development of new processes to
convert biomass-derived compounds into useful industrial materials following the principles of green
chemistry. To achieve these goals, developments in several fields including heterogeneous catalysis are
needed. One of the ways to accelerate the discovery of new potentially active, selective and stable catalysts is
the massive use of computational chemistry. Recent advances have demonstrated that Density Functional
Theory coupled to ab initio thermodynamics, transition state theory and microkinetic analysis can provide a
full view of the catalytic phenomena.
The aim of the present project is thus to employ these well-tested computational techniques to the
development of a theoretical framework that can accelerate the identification of new catalysts for the
conversion of biomass derived target compounds into useful chemicals. Since compared to petroleum-based
materials-biomass derived ones are multifuncionalized, the search for new catalytic materials and processes
has a strong requirement in the selectivity of the chemical transformations. The main challenges in the
project are related to the high functionalization of the molecules, their liquid nature and the large number of
potentially competitive reaction paths. The requirements of specificity and selectivity in the chemical
transformations while keeping a reasonably flexible framework constitute a major objective. The work will
be divided in three main work packages, one devoted to the properties of small molecules or fragments
containing a single functional group; the second addresses competition in multiple functionalized molecules;
and third is dedicated to the specific transformations of two molecules that have already been identified as
potential platform generators. The goal is to identify suitable candidates that could be synthetized and tested
in the Institute facilities.
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 physical sciences thermodynamics
- natural sciences chemical sciences catalysis
- agricultural sciences agricultural biotechnology biomass
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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
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.
ERC-2010-StG_20091028
See other projects for this call
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.
Host institution
43007 TARRAGONA
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.