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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4. Effect of Fe–O ReaxFF on Liquid Iron Oxide Properties Derived from Reactive Molecular Dynamics;The Journal of Physical Chemistry A;2023-11-20
5. Effect of Fe on the oxidation, sulfidation and carburization behaviors of alloys in CO2 containing SO2;Corrosion Science;2023-09
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