Quantum Chemical Simulations of Doped Aerogels as Catalysts

Abstract

Molecular hydrogen is a virtually pollution free fuel. It can react with atmospheric oxygen to form water. This reaction releases a considerable amount of energy and could be used in place of gasoline for transportation. Unfortunately, hydrogen is a gas under all but the most extreme conditions, so using H2 gas would require high pressure storage tanks in order to get enough fuel on a vehicle to travel a significant distance. One idea being explored at LLNL and at the National Renewable Energy Laboratory in Colorado is to store hydrogen by absorbing onto carbon. Calculations are being performed at LLNL to explore the strength of the forces that hold hydrogen in these tubes.

DateOfInformation

Thr Sep 25 16:21:46 1997

Domain

Scientific and Engineering Applications

Name

Quantum Chemical Simulations of Doped Aerogels as Catalysts

TargetEnvironment

UNIX

Webpage

http://www.llnl.gov/liv_comp/meiko/apps/calef/calef.html

ContactIs

Dan Calef