ABSTRACT
Previous experimental results shows mixed Mannich base (C15H15NO) and Na2WO4 have demonstrated excellent corrosion prevention, and the best corrosion inhibition efficiency is 96.19% when the mixing ratio of the two components is 1:1. In order to clearly understand to inhibition mechanism, molecular dynamics were used to model the inhibition effects of C15H15NO or Na2WO4 molecule on the iron surface. The simulation results indicate there are synergistic effect between C15H15NO and Na2WO4. the synergistic effect has three main factors: for one, the synergistic effect is due to the (small) can fill in the voids of the C15H15NO (big), the mixed inhibitor film is denser than single inhibitor film; moreover, the forms H-bond group with H3O+, which makes corrosive particles harder to pass through adsorption film, simultaneously; In addition, the mixed inhibitor significantly reduces the free charges and ions on Fe surface, which makes metal structure is more stable.
Acknowledgements
Jun Hu and Neng Li conceived and designed the experiments; Zhen Wang and Tiantian Wang performed the simulations; Zhen Wang and Peiyin Xu analysed the data; Jun Hu and Neng Li revised the paper.
Disclosure statement
No potential conflict of interest was reported by the authors.