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Decoding kerogen oxidation
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DOI：10.1016/j.cej.2025.165562.png)
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Abstract
En 中文
• In operando and post mortem with simulations explore kerogen oxidation thermodynamics and kinetics. • Oxidation forms unstable moieties that drive the reaction forward via excess entropy. • Reactive Molecular Dynamics (MD) reveals reaction kinetics of model kerogens across maturity levels. • Kerogen’s maturity, characterized by its hydrogen-to-carbon ratio, primarily determines the oxidation rate. • Activation energy suggests kerogen oxidation is diffusion-driven in microcracks.
Keywords:
kerogen oxidation
thermodynamics
kinetics
reactive molecular dynamics
maturity level
Journal
IF:
13.2
Papers:
7.4W
Citations:
48.5W