29, February 2016

ESA Open Invitation To Tender AO8570
Open Date: 17/02/2016
Closing Date: 15/04/2016

Status: ISSUED
Reference Nr.: 15.123.13
Prog. Ref.: TRP
Budget Ref.: E/0901-01 – TRP
Tender Type: C
Price Range: 100-200 KEURO
Establishment: ESTEC
Directorate: Directorate of Technical & Quality Manag
Department: Mechanical Engineering Department
Division: Propulsion & Aerothermodynamics Division
Contract Officer: Magne-Lie, Karine
Last Update Date: 17/02/2016
Update Reason: Tender issue

This activity proposes to implement a reference model for computer simulation of storage of H2 which takes into account the role ofmolecular excited states. Different materials will be studied as possible candidates (intermetallic compounds, hydrides, organic liquids, nanotubes) in accordance with the existing practice in industrial applications or proposing alternative materials. The study will look at the formation of H2 in excited states starting from the interaction between a gas of atomic hydrogen and hydride ions, its diffusion in the material, and the in situ formation of excited molecular states of H2 in specific storage materials. These hydrogen-rich compounds are commonly called chemical hydrides and the most accredited between them in industrial chemistry of the storage of hydrogen are the alkali hydrides, sodium borohydride, and organic liquids such as methanol, methylcyclohexane etc. Nanostructured materials will also be simulated. The main method used in these simulations is molecular dynamics. In the international scene such an approach has recently led to the publication of several papers on important journals, highlighting the growing interest in the computer simulation of materials for hydrogen storage. The strength of this project lies on the fact that for the first time the molecular excited states shall be analysed in such simulations. Further, the mathematical approach will be validated with help of selected experimental test cases provided by and in coordination with ARTES 5.2 4D.024. Once the code has been validated, it shall be applied to a choice of materials used as storers vast and heterogeneous: in this way the simulations will lead to direct and effective cataloguing of the storage efficiency of each material, together with new suggested alternative ones. Procurement Policy: C(1) = Activity restricted to non-prime contractors (incl. SMEs). For additional information please go to EMITS news “Industrial Policy measures for non-primes, SMEs and R&D entities in ESA programmes”.

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