A new model for the prediction of oxygen interference in hydrogen storage systems

AGUSTÍN SIGAL; MARCOS A. VILLARREAL; MARIANA ISABEL ROJAS; EZEQUIEL PEDRO MARCOS LEIVA

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

PERGAMON-ELSEVIER SCIENCE LTD

Lugar: Amsterdam; Año: 2014 vol. 39 p. 5899 - 5905

0360-3199

A new model is developed to analyze oxygen interference in hydrogen storage materials. Itis based on the competitive adsorption isotherm between the two gases, with the parametersfitted from molecular dynamic simulations. The model is applied to a systemconsisting of graphene sheets separated by different distances. For a gas-phase mixture ofhydrogen (99.9%) and oxygen (0.1%) in interaction with porous graphite of 6.5 A (optimumsize) it can be observed that after 50 cycles of charging/discharging the blocking of activesites of the material by oxygen is w10%, due to progressive pollution of the system byoxygen. The model presented here may easily be extended to other systems of interest,involving other blocking species or adsorbent materials.