Hydrogen adsorption with classical potentials

The physical adsorption isotherms on carbon materials have been studied theoretically using Grand Canonical Monte Carlo simulations and an effective classical potential [8], or using Feynmaim path formalism in conjunction with the Monte Carlo method to take into account the quantum effects [9]. To simulate hydrogen adsorption accurately at low temperature, these quantum effects have to be included. In this last case hydrogen is considered as a quantum fiuid. The basic idea of Feynman path integral formalism is to look at the possible paths that a particle can take to move from one point to another. 

It is evident that decreases with a decrease in the electrode potential in the entire range. At the lowest potentials there is an influence of the overpotentially deposited hydrogen (HOPD), which is related to the classical hydrogen evolution, and dissolved hydrogen formation at the solution around the electrode. The kinetics is very fast and was measured without a potentiostat [242]. Because the adsorption isotherm is rather complex [248] no rate constants were determined. It should be added that in earlier studies, at monocrystaUine Pt, it was found that R i was potential independent [249], which may be connected with equipment artifacts. 

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