TY - JOUR
T1 - Effect of ionic liquid as corrosion inhibitor for 6061 aluminium alloy-(electrochemical and quantum chemical approaches)
AU - Kedimar, Namitha
AU - Rao, Padmalatha
AU - Rao, Suma A.
N1 - Funding Information:
Mrs. Namitha Kedimar is grateful to MAHE Manipal for the Dr. TMA Pai scholarship. The authors are thankful to the Chemistry Department, MIT MAHE Manipal for the laboratory facilities. They also acknowledge Central Instrumentation Facilities, MIT MAHE Manipal.
Publisher Copyright:
© 2023 The Author(s). Published by Informa UK Limited, trading as Taylor & Francis Group.
PY - 2023
Y1 - 2023
N2 - Ionic liquid 1,3-dimethylimidazolium dimethyl phosphate (DIDP) is used as a possible green inhibitor for the corrosion control of 6061 aluminium alloy in 0.25 mol/L HCl is described in the study. Study involved electrochemical methods carried out at various temperatures by changing the concentrations of DIDP. Kinetic and thermodynamic parameters were determined using the Arrhenius rate law and transition state equations, respectively. Physisorption of the inhibitor takes place and the adsorption follows Freundlich isotherm. Surface morphology was studied by scanning electron microscopy (SEM), atomic force microscopy (AFM), and energy-dispersive X-ray analysis (EDAX) techniques. Quantum chemical studies were done by the density functional theory (DFT). The maximum inhibition efficiency of DIDP on 6061 aluminium alloy was about 78% for the concentration of 1000 ppm at 303 K. The mechanistic aspects of DIDP adsorption onto the metal surface were supported by quantum chemical studies. HOMO and LUMO of the optimized structure and quantum chemical descriptors confirmed the adsorption of the inhibitor on the metal surface. Mulliken charge population was used to identify the DIDP molecule’s high electron density region, and Fukui indices confirmed the interaction between metal and inhibitor.
AB - Ionic liquid 1,3-dimethylimidazolium dimethyl phosphate (DIDP) is used as a possible green inhibitor for the corrosion control of 6061 aluminium alloy in 0.25 mol/L HCl is described in the study. Study involved electrochemical methods carried out at various temperatures by changing the concentrations of DIDP. Kinetic and thermodynamic parameters were determined using the Arrhenius rate law and transition state equations, respectively. Physisorption of the inhibitor takes place and the adsorption follows Freundlich isotherm. Surface morphology was studied by scanning electron microscopy (SEM), atomic force microscopy (AFM), and energy-dispersive X-ray analysis (EDAX) techniques. Quantum chemical studies were done by the density functional theory (DFT). The maximum inhibition efficiency of DIDP on 6061 aluminium alloy was about 78% for the concentration of 1000 ppm at 303 K. The mechanistic aspects of DIDP adsorption onto the metal surface were supported by quantum chemical studies. HOMO and LUMO of the optimized structure and quantum chemical descriptors confirmed the adsorption of the inhibitor on the metal surface. Mulliken charge population was used to identify the DIDP molecule’s high electron density region, and Fukui indices confirmed the interaction between metal and inhibitor.
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U2 - 10.1080/10667857.2023.2238414
DO - 10.1080/10667857.2023.2238414
M3 - Article
AN - SCOPUS:85166488799
SN - 1066-7857
VL - 38
JO - Materials Technology
JF - Materials Technology
IS - 1
M1 - 2238414
ER -