Experimental and theoretical studies of benzalkonium chloride as an inhibitor for carbon steel corrosion in sulfuric acid

Lei Guo; Shanhong Zhu; Shengtao Zhang

Journal of Industrial and Engineering Chemistry, Vol.24, 174-180, April, 2015

DOI10.1016/j.jiec.2014.09.026 Export Citation

Experimental and theoretical studies of benzalkonium chloride as an inhibitor for carbon steel corrosion in sulfuric acid

Lei Guo, Shanhong Zhu¹, and Shengtao Zhang^†

School of Chemistry and Chemical Engineering, Chongqing University, Chongqing 400044, PR China
¹School of Computer and Information Engineering, Xinxiang University, Xinxiang 453003, PR China

E-mail:

The effect of benzalkonium chloride (BKC) on the corrosion of carbon steel in H2SO4 media has been examined by electrochemical impedance spectroscopy (EIS), polarization, weight loss, and scanning electron microscopy (SEM) methods. The results showed that the corrosion inhibition efficiency of BKC was excellent. Potentiodynamic polarization study showed that the BKC was a mixed-type inhibitor. DFT calculations were used to gain insight into the structural and electronic properties in relation to the inhibition efficiency. Molecular dynamics (MD) simulations demonstrate that chloride ion plays a significant role in the inhibition mechanism.

Keywords:Electrochemical test;Weight loss test;Corrosion inhibitor;Quantum chemical calculation;Molecular dynamics simulation

[References]

Niu L, Zhang H, Wei FH, Wu SX, Cao XL, Liu PP, Appl. Surf, 252(5), 1634 (2005)
Rani BEA, Basu BBJ, Int. J. Corros., 2012, 1 (2012)
Lyon S, Nature, 427, 406 (2004)
Finsgar M, Jackson J, Corrosion Sci., 86, 17 (2014)
Ansari KR, Quraishi MA, J. Ind. Eng. Chem., 20(5), 2819 (2014)
Sherif ESM, J. Ind. Eng. Chem., 19(6), 1884 (2013)
Sahin M, Gece G, Karci F, Bilgic S, J. Appl. Electrochem., 38(6), 809 (2008)
John S, Joseph A, RSC Adv., 2, 9944 (2012)
Mahgoub FM, Anti-Corros. Methods Mater., 55, 324 (2008)
El-Naggar MM, Corrosion Sci., 49, 2226 (2007)
Duran B, Bereket G, Ind. Eng. Chem. Res., 51(14), 5246 (2012)
Javadian S, Yousefi A, Neshati J, Appl. Surf. Sci., 285, 674 (2013)
Shaban SM, Saied A, Tawfik SM, Abd-Elaal A, Aiad I, J. Ind. Eng. Chem., 19(6), 2004 (2013)
Gopi D, Bhuvaneswaran N, Rajeswarai S, Ramadas K, Anti-Corros. Methods Mater., 47, 332 (2000)
Sharma HK, Anti-Corros. Methods Mater., 59, 63 (2012)
Migahed MA, Mohamed HM, Al-Sabagh AM, Mater. Chem. Phys., 80(1), 169 (2003)
Hu SQ, Guo AL, Geng YF, Jia XL, Sun SQ, Zhang J, Mater. Chem. Phys., 134(1), 54 (2012)
Eduok UM, Umoren SA, Udoh AP, Arab. J. Chem., 5, 325 (2012)
Umoren SA, Solomon MM, Udosoro II, Udoh AP, Cellulose, 17, 635 (2010)
Solmaz R, Kardas G, Yazici B, Erbil M, Colloids Surf. A: Physicochem. Eng. Asp., 312, 7 (2008)
Zander E, Am. J. Dis. Child., 130, 676 (1976)
Zheng ZL, Huang X, Schenderlein M, Borisova D, Cao R, Mohwald H, Shchukin D, Adv. Funct. Mater., 23, 3307 (2013)
Becke AD, J. Chem. Phys., 98, 5648 (1993)
Becke AD, J. Chem. Phys., 88, 2547 (1988)
Delley B, Mol. Simul., 32, 117 (2006)
Andersen HC, J. Chem. Phys., 72, 2384 (1980)
Sun H, J. Phys. Chem. B, 102(38), 7338 (1998)
Xu B, Yang W, Liu Y, Yin X, Gong W, Chen Y, Corrosion Sci., 78, 260 (2014)
Markhali BP, Naderi R, Mahdavian M, Sayebani M, Arman SY, Corrosion Sci., 75, 269 (2013)
Solmaz R, Kardas G, Culha M, Yazici B, Erbil M, Electrochim. Acta, 53(20), 5941 (2008)
John S, Joseph A, Res. Chem. Intermed., 38, 1359 (2012)
Benabdellah M, Ousslim A, Hammouti B, Elidrissi A, Aouniti A, Dafali A, Bekkouch K, Benkaddour M, J. Appl. Electrochem., 37(7), 819 (2007)
Aksut AA, Lorenz WJ, Mansfield F, Corrosion Sci., 22, 611 (1982)
Khadom AA, Yaro AS, Prot. Met. Phys. Chem. Surf., 47, 662 (2011)
Jones DC, Birks EW, J. Chem. Soc., 1127 (1951)
Dabrowski A, Adv. Colloid Interface Sci., 93, 135 (2001)
Szklarskasmialowska Z, Mankowski J, Corrosion Sci., 18, 953 (1978)
Gece G, Corrosion Sci., 50, 2981 (2008)
Guo L, Zhu S, Zhang S, He Q, Li W, Corrosion Sci., 87, 366 (2014)
Ayers PW, Parr RG, J. Am. Chem. Soc., 122(9), 2010 (2000)
Olah J, Van Alsenoy C, Sannigrahi AB, J. Phys. Chem. A, 106(15), 3885 (2002)
Eddy NO, Stoyanov SR, Ebenso EE, Int. J. Electrochem. Sci., 5, 1127 (2010)
Guo AL, Duan GC, He K, Sun B, Fan CC, Hu SQ, Comput. Theor. Chem., 1015, 21 (2013)
Zhang J, Yu W, Yu L, Yan Y, Qiao G, Hu S, Ti Y, Corrosion Sci., 53, 1331 (2011)
Li XH, Deng SD, Fu H, Corrosion Sci., 62, 163 (2012)

[1] Niu L, Zhang H, Wei FH, Wu SX, Cao XL, Liu PP, Appl. Surf, 252(5), 1634 (2005)

[2] Rani BEA, Basu BBJ, Int. J. Corros., 2012, 1 (2012)

[3] Lyon S, Nature, 427, 406 (2004)

[4] Finsgar M, Jackson J, Corrosion Sci., 86, 17 (2014)

[5] Ansari KR, Quraishi MA, J. Ind. Eng. Chem., 20(5), 2819 (2014)

[6] Sherif ESM, J. Ind. Eng. Chem., 19(6), 1884 (2013)

[7] Sahin M, Gece G, Karci F, Bilgic S, J. Appl. Electrochem., 38(6), 809 (2008)

[8] John S, Joseph A, RSC Adv., 2, 9944 (2012)

[9] Mahgoub FM, Anti-Corros. Methods Mater., 55, 324 (2008)

[10] El-Naggar MM, Corrosion Sci., 49, 2226 (2007)

[11] Duran B, Bereket G, Ind. Eng. Chem. Res., 51(14), 5246 (2012)

[12] Javadian S, Yousefi A, Neshati J, Appl. Surf. Sci., 285, 674 (2013)

[13] Shaban SM, Saied A, Tawfik SM, Abd-Elaal A, Aiad I, J. Ind. Eng. Chem., 19(6), 2004 (2013)

[14] Gopi D, Bhuvaneswaran N, Rajeswarai S, Ramadas K, Anti-Corros. Methods Mater., 47, 332 (2000)

[15] Sharma HK, Anti-Corros. Methods Mater., 59, 63 (2012)

[16] Migahed MA, Mohamed HM, Al-Sabagh AM, Mater. Chem. Phys., 80(1), 169 (2003)

[17] Hu SQ, Guo AL, Geng YF, Jia XL, Sun SQ, Zhang J, Mater. Chem. Phys., 134(1), 54 (2012)

[18] Eduok UM, Umoren SA, Udoh AP, Arab. J. Chem., 5, 325 (2012)

[19] Umoren SA, Solomon MM, Udosoro II, Udoh AP, Cellulose, 17, 635 (2010)

[20] Solmaz R, Kardas G, Yazici B, Erbil M, Colloids Surf. A: Physicochem. Eng. Asp., 312, 7 (2008)

[21] Zander E, Am. J. Dis. Child., 130, 676 (1976)

[22] Zheng ZL, Huang X, Schenderlein M, Borisova D, Cao R, Mohwald H, Shchukin D, Adv. Funct. Mater., 23, 3307 (2013)

[23] Becke AD, J. Chem. Phys., 98, 5648 (1993)

[24] Becke AD, J. Chem. Phys., 88, 2547 (1988)

[25] Delley B, Mol. Simul., 32, 117 (2006)

[26] Andersen HC, J. Chem. Phys., 72, 2384 (1980)

[27] Sun H, J. Phys. Chem. B, 102(38), 7338 (1998)

[28] Xu B, Yang W, Liu Y, Yin X, Gong W, Chen Y, Corrosion Sci., 78, 260 (2014)

[29] Markhali BP, Naderi R, Mahdavian M, Sayebani M, Arman SY, Corrosion Sci., 75, 269 (2013)

[30] Solmaz R, Kardas G, Culha M, Yazici B, Erbil M, Electrochim. Acta, 53(20), 5941 (2008)

[31] John S, Joseph A, Res. Chem. Intermed., 38, 1359 (2012)

[32] Benabdellah M, Ousslim A, Hammouti B, Elidrissi A, Aouniti A, Dafali A, Bekkouch K, Benkaddour M, J. Appl. Electrochem., 37(7), 819 (2007)

[33] Aksut AA, Lorenz WJ, Mansfield F, Corrosion Sci., 22, 611 (1982)

[34] Khadom AA, Yaro AS, Prot. Met. Phys. Chem. Surf., 47, 662 (2011)

[35] Jones DC, Birks EW, J. Chem. Soc., 1127 (1951)

[36] Dabrowski A, Adv. Colloid Interface Sci., 93, 135 (2001)

[37] Szklarskasmialowska Z, Mankowski J, Corrosion Sci., 18, 953 (1978)

[38] Gece G, Corrosion Sci., 50, 2981 (2008)

[39] Guo L, Zhu S, Zhang S, He Q, Li W, Corrosion Sci., 87, 366 (2014)

[40] Ayers PW, Parr RG, J. Am. Chem. Soc., 122(9), 2010 (2000)

[41] Olah J, Van Alsenoy C, Sannigrahi AB, J. Phys. Chem. A, 106(15), 3885 (2002)

[42] Eddy NO, Stoyanov SR, Ebenso EE, Int. J. Electrochem. Sci., 5, 1127 (2010)

[43] Guo AL, Duan GC, He K, Sun B, Fan CC, Hu SQ, Comput. Theor. Chem., 1015, 21 (2013)

[44] Zhang J, Yu W, Yu L, Yan Y, Qiao G, Hu S, Ti Y, Corrosion Sci., 53, 1331 (2011)

[45] Li XH, Deng SD, Fu H, Corrosion Sci., 62, 163 (2012)