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Nombre de programmes trouvés : 1872
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Pascal Brault - Reactive molecular dynamics simulations of H2 production and conversion

Since H2 production and conversion efficiencies can be improved and monitored at the molecular scale, reactive molecular dynamics simulations (rMDS) are expected to be of great promise for understanding associated basic mechanisms. Basically, rMDS is a technique aiming at solving full trajectories of a set of atoms, molecules, nanoparticles, with the only ingredient of force fields driving interactions between relevant species.   Due to the recent growth of improved and reactive force fields such as ReaxFF and COMB3 families, it become possible to address complicated reactive process such as H2 ...
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Sixto Malato - Solar photocatalytic hydrogen production at pilot scale

Solar energy is well-recognized as a sustainable and clean energy source. Among the various approaches to solar energy conversion, solar-driven hydrogen production is one of the most promising ways to convert solar energy into hydrogen, a storable fuel. Hydrogen is undoubtedly one of the most attractive renewable alternatives to fossil fuels for a number of reasons: (i) hydrogen can be safely stored; (ii) it is an excellent energy carrier since it can store 3 times as much energy as conventional natural gas; (iii) its combustion is environmentally friendly (no release of greenhouse ...
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