Insights on the effect of water content in carburizing gas mixtures on the metal dusting corrosion of iron

Constituents of syngas, such as water, carbon monoxide and sulfides, can cause the degradation steel pipes they move through, leading to dusting corrosion. In spite considerable attention this process, many questions remain about its origin. We conduct reactive molecular dynamics simulations multi-grain iron systems exposed carburizing gas mixtures investigate effect water content on metal To simulate (CO) dissociation followed by diffusion, we employ an extended-ReaxFF potential that allows accounting for both high C atoms coordination in bulk well lower at surface interfaces. The reactions happening sample different concentrations time frames are explored. demonstrate presence a clean Fe promotes catalytic beginning boost C, H, O diffusion into sample. At later stage, formation oxide scale leads elevated concentration H2O/OH molecules due decrease affinity dissociate water. This results blocking sites