Modeling of the hydrogen sorption kinetics in an AB2 laves type metal hydride alloy

Arif Hariyadi, Suwarno Suwarno*, Roman V. Denys, Jose Bellosta von Colbe, Tor Oskar Sætre, Volodymyr Yartys

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

23 Citations (Scopus)

Abstract

Hydrides of the AB2 Laves type alloys (A=Zr, Ti; B = transition metal – Fe, Co, Ni, Mn, Cr, V) have been extensively studied as materials for the storage of gaseous hydrogen. They contain up to 4 H atoms/formula unit AB2, thus achieving reversible H storage capacities in the range between 1.5 and 2.0 wt% H and offering high rates of hydrogen charge and discharge, thus making them suitable for designing efficient hydrogen stores operating at ambient conditions. In the present study, we performed an experimental study and modeling of the thermodynamics and the kinetics of interaction in the AB2-hydrogen system. The experimental data was collected by studying a model alloy with a composition Ti0.15Zr0.85La0.03Ni1.126Mn0.657V0.113Fe0.113. Hydrogen absorption and desorption were studied in a volumetric Sieverts type apparatus at isothermal conditions using a single-step change/discharge and stepwise methods. The results obtained from the model simulation show that the reaction follows the Johnson-Mehl-Avrami-Kolmogorov (JMAK) model, with the value of exponent n = 1–1.25 for absorption and 1 for desorption. This indicates that the rate-limiting hydrogen absorption and desorption steps are jointly governed by hydrogen diffusion and grain boundary nucleation of alpha-solid solution and beta-hydride. The activation energies for both hydrogen absorption and desorption decrease along with increasing hydrogen content in the hydride.

Original languageEnglish
Article number162135
JournalJournal of Alloys and Compounds
Volume893
DOIs
Publication statusPublished - 10 Feb 2022

Keywords

  • Kinetics
  • Laves phase intermetallic
  • Metal hydride
  • Phase-structural transformation
  • Solid-state reaction

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