College
College of Engineering and Polymer Science
Date of Last Revision
2025-04-29 12:39:08
Major
Chemical Engineering
Honors Course
CHE 497-001
Number of Credits
3
Degree Name
Bachelor of Science
Date of Expected Graduation
Spring 2025
Abstract
This project investigates the behavior of corrosion in rebar, a critical component in infrastructure such as roads and skyscrapers. Corrosion of rebar can lead to structural instability, visible as cracks or pitting on the surface. The primary focus is on the potential of urotropine as a corrosion inhibitor. Urotropine, known for its ability to inhibit corrosion in mild steel in acidic environments, is hypothesized to be effective in preventing corrosion on rebar. To explore this, molecular dynamics simulations using LAMMPS were conducted, modeling urotropine molecules in an acidic solution (PH = 1) interacting with iron atoms, mimicking rebar. Simulations were performed with varying urotropine concentrations (1, 2, 5, and 10 molecules) for 13 nanoseconds. The interaction energy between urotropine and iron was analyzed to assess the inhibitor’s effectiveness. Results showed that the simulations accurately predicted the interaction energy, providing valuable insights into the potential of urotropine as a corrosion inhibitor for rebar. This research contributes to understanding corrosion mechanisms and paves the way for further investigation into urotropine’s practical applications.
Research Sponsor
Dr. Donald Visco
First Reader
Dr. Roya Gitiafroz
Second Reader
Dr. Fardin Khabaz
Honors Faculty Advisor
Dr. Donald Visco
Proprietary and/or Confidential Information
No
Recommended Citation
Zadrozny, Tyler, "Urotropine as a Corrosion Inhibitor in Steel Rebar: A Molecular Dynamics Study" (2025). Williams Honors College, Honors Research Projects. 1988.
https://ideaexchange.uakron.edu/honors_research_projects/1988