ReaxFF molecular dynamics investigation on the oxidation mechanism of Fe surface in supercritical CO2 mixed with O2
Author:
Publisher
Elsevier BV
Subject
Process Chemistry and Technology,Waste Management and Disposal,Chemical Engineering (miscellaneous)
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1. Effect of Fe–O ReaxFF on Liquid Iron Oxide Properties Derived from Reactive Molecular Dynamics;The Journal of Physical Chemistry A;2023-11-20
2. Effect of Fe on the oxidation, sulfidation and carburization behaviors of alloys in CO2 containing SO2;Corrosion Science;2023-09
3. Revealing the role of SO2 in the high-temperature corrosion diffusion of two superalloys in CO2 through molecular dynamics and thermal stability;Journal of Alloys and Compounds;2023-07
4. 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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