From electronic characteristics to macroscopic kinetics: DFT and ReaxFF-MD insights into the thermal reactivity and supercritical water conversion of kerogens

Fuel 2026

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Authors: Hao Lü, Qun Zhao, Yao Yan, Bowen Ke, Jiacheng Niu, H Huang Jin, Jorge Ancheyta, Li Guo
DOI: 10.1016/j.fuel.2026.140707
Cited by: 1
References: 83

Fields of Study & Subjects

Subcritical and Supercritical Water Processes Thermochemical Biomass Conversion Processes Phase Equilibria and Thermodynamics

Publication details

Journal / source
Fuel
Publisher
Elsevier BV
Volume
429
Pages
140707–140707
Publication date
20 July 2026
Language
EN