Weight Loss, Electrochemical, Quantum Chemical Calculation, and Molecular Dynamics Simulation Studies on 2-(Benzylthio)-1,4,5-triphenyl-1H-imidazole as an Inhibitor for Carbon Steel Corrosion in Hydrochloric Acid

被引：71

作者：

Ben Hmamou, Dris ^{[1
]}

Salghi, Rachid ^{[1
]}

Zarrouk, Abdelkader ^{[3
]}

Aouad, Mohamed Reda ^{[2
]}

Benali, Omar ^{[4
]}

Zarrok, Hassan ^{[5
]}

Messali, Mousslim ^{[2
]}

Hammouti, Belkheir ^{[3
]}

Kabanda, Mwadham M. ^{[6
]}

Bouachrine, Mohammed ^{[7
]}

Ebenso, Eno E. ^{[6
]}

机构：

[1] Univ Ibn Zohr, ENSA, Equipe Genie Environnement & Biotechnol, Agadir, Morocco

[2] Taibah Univ, Fac Sci, Dept Chem, Al Madinah Al Mounawara 30002, Saudi Arabia

[3] Univ Mohammed 1, Fac Sci, LCAE URAC18, Oujda, Morocco

[4] Univ Dr Tahar Moulay, Fac Sci & Technol, Dept Biol, Saida, Algeria

[5] Univ Ibn Tofail, Fac Sci, Lab Separat Proc, Kenitra, Morocco

[6] NorthWest Univ, Fac Agr Sci & Technol, Mat Sci Innovat & Modelling MaSIM Res Focus Area, ZA-2735 Mmabatho, South Africa

[7] Univ Sidi Mohamed Ben Abdellah, Fac Polydisciplinaire Taza, UMIM, Taza, Morocco

来源：

INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH | 2013年 / 52卷 / 40期

关键词：

COLD-ROLLED STEEL; SCHIFF-BASE COMPOUNDS; MILD-STEEL; C38; STEEL; SULFURIC-ACID; THERMODYNAMIC CHARACTERIZATION; DERIVATIVES; COPPER; ADSORPTION; IMIDAZOLE;

D O I：

10.1021/ie401034h

中图分类号：

TQ [化学工业];

学科分类号：

0817 ;

摘要：

The corrosion inhibition of 2-(benzylthio)-1,4,5-triphenyl-1H-imidazole (BTI) for carbon steel in a 1 M HCl solution was studied by means of weight loss, potentiodynamic polarization, electrochemical impedance spectroscopy (EIS), and scanning electron microscopy (SEM) methods. Quantum chemical calculations based on the DFT method were performed on BTI. Molecular dynamics simulations were carried out to establish the mechanism of corrosion inhibition for carbon steel with BTI in HCl. Kinetic and thermodynamic parameters of activation using a statistical model were calculated. Polarization curves revealed that BTI is a mixed-type inhibitor. The results showed that BTI is a good inhibitor for the corrosion of carbon steel in 1.0 M HCl solution and that its inhibition efficiency is higher than 88% at 1 x 10(-3) M BTI. Adsorption of the inhibitor on the carbon steel surface follows the Langmuir adsorption isotherm, and the value of the free energy of adsorption, A Gad,, indicates that the adsorption of BTI is a spontaneous process.

引用

页码：14315 / 14327

页数：13

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