Pyridazinium-based ionic liquids as novel and green corrosion inhibitors of carbon steel in acid medium: Electrochemical and molecular dynamics simulation studies

2018 ◽  
Vol 249 ◽  
pp. 997-1008 ◽  
Author(s):  
F. El-Hajjaji ◽  
M. Messali ◽  
A. Aljuhani ◽  
M.R. Aouad ◽  
B. Hammouti ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Ionic Liquids ◽  
Molecular Dynamics Simulation ◽  
Carbon Steel ◽  
Acid Medium ◽  
Corrosion Inhibitors ◽  
Dynamics Simulation ◽  
Simulation Studies ◽  
Green Corrosion Inhibitors

Carbohydrate compounds as green corrosion inhibitors: electrochemical, XPS, DFT and molecular dynamics simulation studies

RSC Advances ◽  
2016 ◽  
Vol 6 (111) ◽  
pp. 110053-110069 ◽  
Author(s):  
M. Yadav ◽  
T. K. Sarkar ◽  
I. B. Obot
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Corrosion Inhibition ◽  
Electrochemical Method ◽  
Corrosion Inhibitors ◽  
Dynamics Simulation ◽  
Simulation Studies ◽  
Inhibition Effect ◽  
N80 Steel ◽  
Green Corrosion Inhibitors

Corrosion inhibition effect of 5,6-bis(2-(1H-benzo[d]imidazol-2-yl)hydrazono)hexane-1,2,3,4-tetraol (BIHT) and 5,6-bis(2-(1-methyl-1H-imidazol-2-yl)hydrazono)hexane-1,2,3,4-tetraol (MIHT) on N80 steel in 15% HCl was measured by electrochemical method.

scholarly journals Molecular Dynamics Simulation Studies of the Interactions between Ionic Liquids and Amino Acids in Aqueous Solution

2012 ◽  
Vol 116 (6) ◽  
pp. 1831-1842 ◽  
Author(s):  
Luciana I. N. Tomé ◽  
Miguel Jorge ◽  
José R. B. Gomes ◽  
João A. P. Coutinho
Keyword(s):  
Molecular Dynamics ◽  
Aqueous Solution ◽  
Amino Acids ◽  
Ionic Liquids ◽  
Molecular Dynamics Simulation ◽  
Dynamics Simulation ◽  
Simulation Studies

Structural stability of insulin aspart in aqueous cholinium aminoate ionic liquids based on molecular dynamics simulation studies

2020 ◽  
pp. 114501
Author(s):  
Vidya Sundaram ◽  
Ramakrishnan Nagasundara Ramanan ◽  
Manikandan Selvaraj ◽  
R. Vijayaraghavan ◽  
Douglas R. MacFarlane ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Ionic Liquids ◽  
Molecular Dynamics Simulation ◽  
Structural Stability ◽  
Insulin Aspart ◽  
Dynamics Simulation ◽  
Simulation Studies

Molecular dynamics simulation studies of the influence of imidazolium structure on the properties of imidazolium/azide ionic liquids

2012 ◽  
Vol 136 (19) ◽  
pp. 194506 ◽  
Author(s):  
Justin B. Hooper ◽  
Oleg N. Starovoytov ◽  
Oleg Borodin ◽  
Dmitry Bedrov ◽  
Grant D. Smith
Keyword(s):  
Molecular Dynamics ◽  
Ionic Liquids ◽  
Molecular Dynamics Simulation ◽  
Dynamics Simulation ◽  
Simulation Studies
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