Molecular Mechanism in Corrosion
A special issue of International Journal of Molecular Sciences (ISSN 1422-0067). This special issue belongs to the section "Materials Science".
Deadline for manuscript submissions: 28 October 2026 | Viewed by 374
Special Issue Editor
Special Issue Information
Dear Colleagues,
Molecular mechanisms of corrosion are increasingly being explored to better understand material degradation processes at the atomic and electrochemical levels. Corrosion is fundamentally governed by complex interactions between metal surfaces, environmental species, and electrochemical reactions, including oxidation, reduction, and ion transport. Corrosion occurs in various environments, such as concrete structures, seawater, soil, power plants, oil and gas industries, and under insulation systems, all of which are strongly influenced by molecular-level interactions.
Advances in surface science, electrochemistry, and computational modeling enable the investigation of corrosion processes through multi-scale approaches, integrating atomistic simulations, thermodynamic analysis, and kinetic modeling to reveal the underlying mechanisms of metal dissolution, passivation, corrosion protection, and localized corrosion phenomena.
Emerging approaches such as chemical evaluation, density functional theory (DFT), molecular dynamics (MD), and data-driven modeling further enhance the understanding of corrosion behavior by providing detailed insights into surface reactions, adsorption processes, and the formation and breakdown of protective films. These approaches are particularly relevant in complex conditions, including high-temperature environments and microbially influenced corrosion (MIC), where microbial activity can induce cracking and accelerate material degradation. Such methods enable the simulation of molecular interactions between corrosive agents, microorganisms, and material surfaces, allowing the identification of key factors influencing corrosion resistance, inhibitor performance, and material durability. In addition, advanced characterization techniques combined with computational methods facilitate the study of corrosion in high-temperature, high-pressure, and chemically aggressive environments.
This Special Issue aims to gather cutting-edge research on molecular-level investigations of corrosion mechanisms across various materials and environments. Topics of interest include electrochemical reaction pathways, corrosion inhibitor design and molecular interactions, surface passivation mechanisms, computational modeling of corrosion processes, multi-scale analysis of degradation, corrosion protection strategies, microbiologically influenced corrosion, and the integration of experimental and theoretical approaches.
By focusing on molecular mechanisms of corrosion, this Special Issue seeks to advance the fundamental understanding of material degradation and support the development of innovative strategies for corrosion prevention and sustainable material design.
Prof. Dr. Yuli Panca Asmara
Guest Editor
Manuscript Submission Information
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Keywords
- molecular corrosion mechanisms
- microbiologically influenced corrosion (MIC)
- biofilm formation on metal surfaces
- electrochemical–biological coupling
- biocorrosion pathways
- molecular adsorption of corrosion inhibitors
- enzymatic corrosion processes
- surface passivation and biofilm dynamics
- molecular modeling of corrosion
- microbial community analysis
- corrosion protection
- high temperature corrosion
- corrosion in oil and gas industries
- reinforced steel bar corrosion
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