Studies in microbiologically influenced corrosion (MIC) have reported on the effects of pre-corrosion surface deposits on the localized pitting which occurs on metals. But due to the complexity and heterogeneity of these deposits, which include biofilms, it is necessary to investigate how the components of these deposits and the conditions therein influence the formation of pits on the metal surfaces. To gain a better understanding of the occurrence and growth of pits under these deposits, it is imperative to consider their interactions with the metal surface at the atomistic level. In this work, molecular modelling is used to study these interactions, with the focus being on parameterizing the role of HS− in microbiologically influenced pitting. The bond length of HS− is used as a predictive parameter in the molecular model to study the MIC interface. It is observed that changes in the HS− bond length denote HS− reactivity and the subsequent production of sulfides which are the main by-products of MIC. This study also shows how changes in temperature impact HS− reactivity and thus MIC activity.

Subject
Modeling, Substrates, Metal surfaces, Adsorption, Substrate surfaces, Biofilms, Interfaces, Corrosion modeling, Metals, Pitting, Sulfides, Deposit corrosion, Microbiologically influenced corrosion
Keywords:
Molecular model, microbiologically influenced corrosion, pitting, biofilm, surface interaction model
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2019
Association for Materials Protection and Performance (AMPP)
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