Monte Carlo simulations of corrosion inhibition of copper by two Schiff bases

DOI

10.2991/mebe-15.2015.143How to use a DOI?

Keywords

Schiff base; copper; corrosion inhibitor; Monte Carlo simulation.

Abstract

Atomistic modelling and simulations are becoming increasingly important in the field of corrosion inhibition. In this work, Monte Carlo simulations technique incorporating molecular mechanics and molecular dynamics was used to simulate the adsorption of two Schiff base derivatives, namely 4-(4-aminostyryl)-N,N-dimethyl aniline (AND) and 2-((4-(4-(dimethyl amino) story) phenyl imino) methyl) (DSM), on the copper surface. Our results indicate that both compounds are potential corrosion inhibitors for copper, and the inhibition efficiency of DSM is better than AND.

Copyright

© 2015, the Authors. Published by Atlantis Press.

Open Access

This is an open access article distributed under the CC BY-NC license (http://creativecommons.org/licenses/by-nc/4.0/).

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TY  - CONF
AU  - Lei Guo
AU  - Xiaolei Ren
AU  - Yang Zhou
AU  - Shenying Xu
AU  - Yulong Gong
PY  - 2015/04
DA  - 2015/04
TI  - Monte Carlo simulations of corrosion inhibition of copper by two Schiff bases
BT  - Proceedings of the 2015 International Conference on Materials, Environmental and Biological Engineering
PB  - Atlantis Press
SP  - 622
EP  - 625
SN  - 2352-5401
UR  - https://doi.org/10.2991/mebe-15.2015.143
DO  - 10.2991/mebe-15.2015.143
ID  - Guo2015/04
ER  -