Objective
The proposed work aims at developing the tools required for the intelligent choosing and tuning of nano-porous materials with respect to a specific application. For this purpose, a combined computational theoretical and experimental study is envisaged in order to digitally reconstruct the porous matrix of selected advanced materials, mainly for applications involving sorption of carbon dioxide and methane by employing advanced Statistical Mechanics based computer simulation methods, both, in atomistic (Monte Carlo, ab initio and equilibrium and non-equilibrium Molecular Dynamics) and mesoscopic level (Kinetic Monte Carlo and Lattice Gas Cellular Automata). The reasoning behind this strategy is that the structure of materials spans a wide range of length scales, making thus sorption and transport phenomena depend upon length and time scale. As a consequence, the proposed computational methodology consists of many levels in order to address properly these phenomena. Moreover, a complementary approach to computer simulations is provided through direct comparison of two highly sophisticated methods for measuring motion of guest molecules inside porous materials, namely, quasi-elastic neutron scattering (QENS) and pulsed field gradient nuclear magnetic resonance (PFG NMR), carried out by the groups of Lyon and Leipzig respectively. This type of combined studies can be perfectly utilized through the proposed work towards a fascinating insight of the relation of the material interior to the sorption and transport mechanisms of sorbates such as carbon dioxide and methane, both involved in the so-called greenhouse effect.
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 physical sciences classical mechanics statistical mechanics
- natural sciences chemical sciences organic chemistry aliphatic compounds
- natural sciences mathematics applied mathematics mathematical model
- natural sciences computer and information sciences artificial intelligence computational intelligence
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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.
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.
FP7-NMP-2008-EU-India-2
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.
Coordinator
157 72 ATHINA
Greece
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.