Work

Adsorption Kinetics Model of Hydrogen on Graphite

Year: 2025

Type: article

Abstract: 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.

Source: Entropy

DOI: 10.3390/e27030229

Authors: Jean-Marc Simon, Guilherme Carneiro Queiroz da Silva

Institutions: Centre National de la Recherche Scientifique, Laboratoire Interdisciplinaire Carnot de Bourgogne

Language: English

Topic: Hydrogen Storage and Materials

Subfield: Materials Chemistry

Field: Materials Science

Domain: Physical Sciences

Open Access status: gold

Estimated APC paid: $3,137

OpenAlex ID: W4407878108

FWCI: 0.207

Cites: 17

Cited by: 1

Related to: 10