Epoxy prepolymer as a novel anti-corrosive material for carbon steel in acidic solution: Electrochemical, surface and computational studies

被引：55

作者：

Dagdag, O. ^{[1
]}

Safi, Zaki ^{[2
]}

Erramli, H. ^{[3
]}

Wazzan, Nuha ^{[4
]}

Guo, Lei ^{[5
]}

Verma, Chandrabhan ^{[6
,7
]}

Ebenso, E. E. ^{[6
,7
]}

Kaya, Savas ^{[8
]}

El Harfi, A. ^{[1
]}

机构：

[1] Ibn Tofail Univ, Dept Chem, Lab Agroresources Polymers & Proc Engn LAPPE, Fac Sci, BP 133, Kenitra 14000, Morocco

[2] Al Azhar Univ Gaza, Dept Chem, Fac Sci, POB 1277, Gaza, Palestine

[3] Ibn Tofail Univ, Dept Chem, Lab Mat Electrochem & Environm, Fac Sci, Kenitra, Morocco

[4] King Abdulaziz Univ, Dept Chem, Fac Sci, POB 42805, Jeddah 21589, Saudi Arabia

[5] Tongren Univ, Sch Mat & Chem Engn, Tongren 554300, Peoples R China

[6] Northwest Univ, Sch Chem & Phys Sci, Fac Nat & Agr Sci, Dept Chem, Private Bag X2046, ZA-2735 Mmabatho, South Africa

[7] Northwest Univ, Mat Sci Innovat & Modelling MaSIM Res Focus Area, Fac Nat & Agr Sci, Private Bag X2046, ZA-2735 Mmabatho, South Africa

[8] Cumhuriyet Univ, Dept Chem, Fac Sci, Sivas, Turkey

来源：

MATERIALS TODAY COMMUNICATIONS | 2020年 / 22卷

关键词：

Epoxy prepolymer inhibitor; Electrochemical; Mixed-type inhibitor; Langmuir adsorption isotherm; Computational studies; CORROSION INHIBITION PERFORMANCE; MILD-STEEL; THEORETICAL EVALUATION; QUINOLINE DERIVATIVES; ELECTRONIC-STRUCTURE; MOLECULAR-DYNAMICS; SCHIFF-BASES; HCL MEDIUM; DFT; SIMULATION;

D O I：

10.1016/j.mtcomm.2019.100800

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Atetra-functional aromatic epoxy prepolymer namely, 4, 4'-(ethane-1, 2-diyl) bis (N, N-bis (oxiran-2-ylmethyl) aniline) (AA1) was synthesized as evaluated corrosion inhibitor for carbon steel. TheAA1 was characterized using H-1 NMR and FT-IR methods. The anti-corrosive property of AA1 for carbon steel corrosion in 1M HCl solution was evaluated using several experimental and computational techniques. The AA1 showed highest efficiency of 96.5 % at 10(-3)M concentration. PDP study suggested that AA1 behaves slight anodic predominance and its adsorption of the AA1 obeyed the Langmuir adsorption isotherm model. DFT study conducted in neutral as well as protonated forms suggested that AA1 acts as efficient anti-corrosive material under both the conditions and its adsorption mainly takes place through polar heteroatoms (N and O) and two aromatic rings as HOMO and LUMO are mainly localized over the center part of the AA1 molecule. MDS suggested that AA1 adsorbs using its flat orientation and its adsorption decreases with rise in temperature. Adsorption energies were in negative indicating that AA1 adsorption occurs spontaneously as all studied temperatures.

引用

页数：10

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