ReaxFF-MD simulation investigation of the degradation pathway of phenol for hydrogen production by supercritical water gasification
Wastewater from the thermochemical conversion of coal and biomass contains a significant amount of phenolic structures compounds. The degradation of these phenolic compounds to hydrogen-rich gasses can prevent environmental pollution and save energy. Supercritical water (SCW) gasification of phenol...
Main Authors: | , , , , |
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Format: | Article |
Language: | English |
Published: |
KeAi Communications Co., Ltd.
2023-12-01
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Series: | Energy Storage and Saving |
Subjects: | |
Online Access: | http://www.sciencedirect.com/science/article/pii/S2772683523000262 |