Jean-Marc Simon, Guilherme Carneiro Queiroz da Silva
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引用次数: 0
Abstract
A new kinetic equation for the adsorption and desorption of H2 on graphite is derived based on the adsorption and desorption equilibrium rates obtained from the molecular dynamics. These rates are proportional to the activity in the gas and the adsorbed phase and thus do not obey Langmuir kinetics. The new equation offers a new route for understanding experimental results. It is used to simulate the kinetics under different thermodynamic conditions, both isothermal and non-isothermal. The characteristic times of adsorption and desorption are in good agreement with the data from the literature. The relation between the kinetics and the mass flow equation is discussed within the framework of the non-equilibrium thermodynamics of heterogeneous systems. Finally, expressions for the transport coefficients are proposed for both the transfer of mass and the coupling between the mass and heat fluxes.
期刊介绍：
Entropy (ISSN 1099-4300), an international and interdisciplinary journal of entropy and information studies, publishes reviews, regular research papers and short notes. Our aim is to encourage scientists to publish as much as possible their theoretical and experimental details. There is no restriction on the length of the papers. If there are computation and the experiment, the details must be provided so that the results can be reproduced.
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