Understanding the oxidation mechanism of Fe (1 0 0) in supercritical CO2: A ReaxFF molecular dynamics simulation
Author:
Publisher
Elsevier BV
Subject
Process Chemistry and Technology,Waste Management and Disposal,Chemical Engineering (miscellaneous)
Reference32 articles.
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1. Molecular dynamics study on the initial oxidation behavior of FeCr alloys in supercritical H2O and supercritical CO2 with O2;The Journal of Supercritical Fluids;2024-01
2. Effect of Fe–O ReaxFF on Liquid Iron Oxide Properties Derived from Reactive Molecular Dynamics;The Journal of Physical Chemistry A;2023-11-20
3. Tuning the reactivity of Ni/MoS2 membrane for efficient methane pyrolysis and hydrogen production: A multi-scale study;Energy Conversion and Management;2023-10
4. Effect of Fe on the oxidation, sulfidation and carburization behaviors of alloys in CO2 containing SO2;Corrosion Science;2023-09
5. Characterization and simulation studies on the corrosion products of HR230 and 740 H alloys in CO2 with 7% H2O environment at 1000 ℃;Corrosion Science;2023-04
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