TY - JOUR
T1 - Guar gum as efficient non-toxic inhibitor of carbon steel corrosion in phosphoric acid medium
T2 - Electrochemical, surface, DFT and MD simulations studies
AU - Messali, M.
AU - Lgaz, H.
AU - Dassanayake, R.
AU - Salghi, R.
AU - Jodeh, S.
AU - Abidi, N.
AU - Hamed, O.
N1 - Publisher Copyright:
© 2017 Elsevier B.V.
PY - 2017/10/5
Y1 - 2017/10/5
N2 - Guar gum is a water-soluble, nonionic, nontoxic, biodegradable and biocompatible hetero polysaccharide with unlimited number of industrial applications. In this study, guar gum was evaluated as a natural inhibitor of carbon steel (CS) corrosion in 2 M H3PO4 solution. The characteristic effect of guar gum on the steel corrosion was studied at concentration ranges from 0.1 to 1.0 g/L at 298–328 K by weight loss and electrochemical methods. Obtained results showed that, the inhibition efficiency (η%) of guar gum decreased slightly when the temperature increased and increased by increasing the inhibitor concentration reaching the maximum value at 1.0 g/L. The adsorption of guar gum on steel surface was studied by the Temkin adsorption model. EIS measurements indicate that the values of the polarization resistance (Rp) of CS in presence of guar gum are significantly higher than that of the untreated surface. Steel surface coated with guar gum was analyzed by SEM, FTIR and XRD. The quantum calculations using DFT method and Molecular Dynamic (MD) simulations were performed to define the relationship between inhibition performance of investigated compound and their molecular structure.
AB - Guar gum is a water-soluble, nonionic, nontoxic, biodegradable and biocompatible hetero polysaccharide with unlimited number of industrial applications. In this study, guar gum was evaluated as a natural inhibitor of carbon steel (CS) corrosion in 2 M H3PO4 solution. The characteristic effect of guar gum on the steel corrosion was studied at concentration ranges from 0.1 to 1.0 g/L at 298–328 K by weight loss and electrochemical methods. Obtained results showed that, the inhibition efficiency (η%) of guar gum decreased slightly when the temperature increased and increased by increasing the inhibitor concentration reaching the maximum value at 1.0 g/L. The adsorption of guar gum on steel surface was studied by the Temkin adsorption model. EIS measurements indicate that the values of the polarization resistance (Rp) of CS in presence of guar gum are significantly higher than that of the untreated surface. Steel surface coated with guar gum was analyzed by SEM, FTIR and XRD. The quantum calculations using DFT method and Molecular Dynamic (MD) simulations were performed to define the relationship between inhibition performance of investigated compound and their molecular structure.
KW - Carbon steel
KW - Corrosion inhibition
KW - DFT
KW - Guar gum
KW - Molecular dynamic
KW - Phosphoric acid
UR - http://www.scopus.com/inward/record.url?scp=85019585768&partnerID=8YFLogxK
U2 - 10.1016/j.molstruc.2017.05.081
DO - 10.1016/j.molstruc.2017.05.081
M3 - Article
AN - SCOPUS:85019585768
VL - 1145
SP - 43
EP - 54
JO - Journal of Molecular Structure
JF - Journal of Molecular Structure
SN - 0022-2860
ER -