A computational study of the role of carbon in the hydrogen storage kinetics of lithium beryllium hydrides

Minhaj Ghouri, Daniela S. Mainardi

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Abstract

The problems involved in the storage of hydrogen are one of the main barriers for the practical usage of Proton Exchange Membrane fuel cells in automobile applications. While many metal hydrides are capable of meeting the gravimetric and the volumetric storage densities, favorable kinetics and thermodynamics need to be resolved to make these materials available for hydrogen storage. Lithium beryllium hydrides are a group of hydrides proposed as having a reversible hydrogen storage capacity of > 8 wt %. There is a remarkable improvement in absorption/desorption kinetics of the metal hydride when it is ball milled with graphite/carbon. A small amount of carbon present in the LiBeH2 might also lower its dehydrogenation temperature to the room temperature. An analysis of the possible crystal structure of this compound is carried out using Molecular Dynamics. This is an abstract of a paper presented at the 2006 AIChE Annual Meeting (San Francisco, CA 11/12-17/2006).

Original languageEnglish
Title of host publication2006 AIChE Annual Meeting
Publication statusPublished - 2006
Externally publishedYes
Event2006 AIChE Annual Meeting - San Francisco, CA, United States
Duration: 12 Nov 200617 Nov 2006

Other

Other2006 AIChE Annual Meeting
CountryUnited States
CitySan Francisco, CA
Period12/11/0617/11/06

Fingerprint

Beryllium
Hydrogen storage
Lithium
Hydrides
Hydrogen
Carbon
Kinetics
Metals
Automobiles
Temperature
San Francisco
Graphite
Molecular Dynamics Simulation
Thermodynamics
Protons
Proton exchange membrane fuel cells (PEMFC)
Dehydrogenation
Cell Membrane
Molecular dynamics
Desorption

ASJC Scopus subject areas

  • Biotechnology
  • Chemical Engineering(all)
  • Bioengineering
  • Safety, Risk, Reliability and Quality

Cite this

A computational study of the role of carbon in the hydrogen storage kinetics of lithium beryllium hydrides. / Ghouri, Minhaj; Mainardi, Daniela S.

2006 AIChE Annual Meeting. 2006.

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Ghouri, M & Mainardi, DS 2006, A computational study of the role of carbon in the hydrogen storage kinetics of lithium beryllium hydrides. in 2006 AIChE Annual Meeting. 2006 AIChE Annual Meeting, San Francisco, CA, United States, 12/11/06.
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