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...

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Bibliographic Details
Main Authors: Deming Zhang, Shaoqi Wang, Yu Feng, Zixuan Wang, Hui Jin
Format: Article
Language:English
Published: KeAi Communications Co., Ltd. 2023-12-01
Series:Energy Storage and Saving
Subjects:
Online Access:http://www.sciencedirect.com/science/article/pii/S2772683523000262