Highlights March 1, 2016

H2 production by PAH gasification

Pah gasification

The gasification of polycyclic aromatic hydrocarbons (PAHs) in supercritical water has been studied with a DFT and ReaxFF. Supercritical water decreases the barrier for the rate-determining ring opening of PAHs by over 550 kJ/mol, thereby accelerating the gasification rate and hydrogen yield compared to steam gasification and pyrolysis.

Gasification of PAH in supercritical water
Gasification of PAH model anthracene in supercritical water
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