Mechanism of Temperature Influence on Adsorption of Schiff Base

doi:10.11902/1005.4537.2020.156

Journal of Chinese Society for Corrosion and protection

2021, Vol. 41

Issue (6): 786-794 DOI: 10.11902/1005.4537.2020.156

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Mechanism of Temperature Influence on Adsorption of Schiff Base

HU Huihui, CHEN Changfeng(

)

School of New Energy and Materials, China University of Petroleum (Beijing), Beijing 102249, China

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Abstract

Two Schiff base corrosion inhibitors containing phenyl groups, namely BB-S corrosion inhibitor and B-S corrosion inhibitor are synthesized, and then their corrosion inhibition behavior for the corrosion of N80 steel in 0.5% (mass fraction) HCl solution at temperatures within the range of 30~90 ℃ was assessed. The effect of temperature on the adsorption mechanism of Schiff base corrosion inhibitor was also discussed. The results show that the corrosion inhibition efficiency of corrosion inhibitors BB-S and B-S all decreases with the increasing temperature, while the corrosion inhibition efficiency of B-S is always greater than that of BB-S at different temperatures. Results of molecular dynamics and quantum chemistry calculation indicate that the decrease in corrosion inhibition efficiency of the two Schiff base corrosion inhibitors with the increasing temperature may be closely related to the larger steric hindrance of the benzene ring in the Schiff base corrosion inhibitor, molecular thermal movement, molecular adsorption configuration and frontline orbital energy. This study is of great significance for understanding the effect of temperature on the corrosion inhibition mechanism of corrosion inhibitors.

Key words: Schiff base corrosion temperature adsorption benzene ring desorption

Received: 31 August 2020

ZTFLH:

TB37

Corresponding Authors: CHEN Changfeng E-mail: chen_c_f@163.com

About author: CHEN Changfeng, E-mail: chen_c_f@163.com

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Cite this article:

HU Huihui, CHEN Changfeng. Mechanism of Temperature Influence on Adsorption of Schiff Base. Journal of Chinese Society for Corrosion and protection, 2021, 41(6): 786-794.

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https://www.jcscp.org/EN/10.11902/1005.4537.2020.156 OR https://www.jcscp.org/EN/Y2021/V41/I6/786

Fig.1 Synthesis of B-S (a) and BB-S (b) corrosion inhibitors

Fig.2 IR spectra of B-S (a) and BB-S (b) inhibitors

Fig.3 Inhibition efficiencies of BB-S and B-S inhibitors in 0.5 mol·L^-1 HCl solution at different temperatures

Fig.4 Corrosion morphologies of N80 steel after corrosion in 0.5 mol·L^-1 HCl solutions containing BB-S (a1~a4) and B-S (b1~b4) inhibitors at 30 ℃ (a1, b1), 50 ℃ (a2, b2), 70 ℃ (a3, b3) and 90 ℃ (a4, b4)

Fig.5 Polarization curves of N80 steel in 0.5 mol·L^-1 HCl solutions containing B-S (a) and BB-S (b) inhibitors at different temperatures

Table 1 Electrochemical polarization parameters of N80 steel at different temperatures in 0.5 mol·L^-1 HCl solutions containing B-S and BB-S inhibitors

Fig.6 EIS plots of N80 steel in 0.5 mol·L^-1 HCl solutions containing in B-S (a) and BB-S (b) inhibitors at different temperatures

Fig.7 Equivalent circuit diagram of EIS of N80 steel in HCl solutions containing B-S and BB-S inhibitors

Table 2 Fitting parameters of EIS of N80 steel in 0.5 mol·L^-1 HCl impedance spectrum parameters of B-S corrosion inhibitor at different temperatures

Fig.8 Frontier orbital energy level diagrams of B-S (a) and BB-S (b) inhibitors: (a1, b1) optimized molecular structure of corrosion inhibitor, (a2, b2) HOMO distribution of corrosion inhibitor, (a3, b3) LUMO distribution of corrosion inhibitor

Table 3 Quantum chemical parameters of B-S and BB-S corrosion inhibitors

Fig.9 Most stable low energy configurations for the adsorp-tion of B-S (a) and BB-S (b) at 30 ℃ (a1, b1), 50 ℃ (a2, b2), 70 ℃ (a2, b3) and 90 ℃ (a4, b4) corrosion inhibitor on Fe(110) surface

Table 4 Adsorption energies of B-S and BB-S corrosion inhibitors at different temperatures (kJ·mol^-1)

Fig.10 Corrosion inhibition mechanism diagram of B-S and BB-S inhibitors

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