Project Portugal 2030

Summary

Our aim is to provide a best solution to reach the capacity target for green H2 vehicles., i.e, 5.6 kg H2. To reach 5.6 kg H2, we need a reversible hydride with capacity =7.5 wt.%. As per the current state of the art, the best result known in the literature is 6 wt.% H2. Therefore, considering 6 wt.% capacity as the minimum cut off capacity in our investigations, the following four stages of work package, “(a)”, “(b)”, “(c)” and “(d)” is proposed. Among these “(a)”, “(b)”, “(c)” deals with materials development and “(d)” is application to demonstrate and to reach out to civil society where different stake holders look for green solutions. (a) Developing experimentally the following high-capacity system (theoretical capacity: 11.3 wt.% H2) and understand how good the reverse reaction occurs when reversibility is driven mechanochemically and thermochemically. MgH2 + 2LiBH4 ? MgB2 + 2LiH + 4H2 (1) A detailed de/re-hydrogenation capacity measurements and phase-structural characterization studies by quantifying the thermochemically and mechanochemically driven size and strain changes during both the LHS to RHS and RHS to LHS conversion is proposed, as such a study is not performed in the literature. The observed set of data will be considered as reference data (sample to be referred by the code RS). (b) Though step “a” will provide good understanding regarding the reproducible capacity, slow kinetics, and high operational temperature/pressure (>350 °C / >100 bar) remain to be addressed. We will address these challenges by deploying a transition metal Ti to take part in the reaction pathway in the form of TiH2/TiB2 (the rationale for choosing TiH2/TiB2 is explained in the description section). Such a reaction pathway modulation is not yet reported in the literature. Considering the weight incurred by Ti in place of Mg, a maximum substitution of x=0.5 will be tried with the following substitution program, x = 0, 0.1, 0.2, 0.3, 0.4 and 0.5). (1-x)MgH2 + xTiH2 +2LiBH4 ? (1-x)MgB2 + xTiB2 + 2LiH + 4H2 (2) All the set of measurements performed for RS will be replicated and the best x value will be identified and referred with the code BS1. (c) To catalytically boost RS/BS1 and to improve intimate contact between particles by preventing phase segregation, an additive Cr anchored-NrGO will be developed and incorporated with RS/BS1 (quantity: 5-10 wt.%). This approach is also not reported in the literature. The additive loaded samples will be tested by replicating the set of experiments performed through efforts “(a)” and “(b)” and the best identified material will be marked with the code BS2. After identifying a best sample (BS2) through approaches “(a)”, “(b)” and “(c)”, BS2 will be recycled 100 times and thorough post cycle characterization study will be performed. we will test the following: evolution of phase/structure, crystallinity, defect, strain, particle/crystallite size, chemical state(s), elemental homogeneity, nature of surface/interface and existence of metastable phase(s) (details in the task section). (d) To demonstrate the application potential of our deliverable to different stake holders of the civil society a mini fuel tank with 5g sample will be developed (details in task section). Subsequently safety of a virtual H2 tank capable of holding 75kg of BS2 will be studied by von Mises stress distribution simulation study. The potential of the observed solutions from “(a)”, “(b)”, “(c)” and “(d)” will be widely disseminated.