Investigation on the interfacial behavior of polyorganic inhibitors on a metal surface by DFT study and MD simulation

Rollinia occidentalis extract as green corrosion inhibitor for carbon steel in HCl solution

(2018) Patricia E. Alvarez et al.   JOURNAL OF INDUSTRIAL AND ENGINEERING CHEMISTRY

Toward understanding the anticorrosive mechanism of some thiourea derivatives for carbon steel corrosion: A combined DFT and molecular dynamics investigation

(2017) Lei Guo et al.   JOURNAL OF COLLOID AND INTERFACE SCIENCE

Amino acid based imidazolium zwitterions as novel and green corrosion inhibitors for mild steel: Experimental, DFT and MD studies

(2017) V. Srivastava et al.   JOURNAL OF MOLECULAR LIQUIDS

Single Mo Atom Supported on Defective Boron Nitride Monolayer as an Efficient Electrocatalyst for Nitrogen Fixation: A Computational Study

(2017) Jingxiang Zhao et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Super-hydrophobic coating used in corrosion protection of metal material: review, discussion and prospects

(2017) Cao Zhan-Fang et al.   Metallurgical Research & Technology

New corrosion inhibitor acrylamide methyl ether for mild steel in 1 M HCl

(2016) Xinyu Ma et al.   APPLIED SURFACE SCIENCE

Application of carbohydrate polymers as corrosion inhibitors for metal substrates in different media: A review

(2016) Saviour A. Umoren et al.   CARBOHYDRATE POLYMERS

The synergistic mechanism of phytic acid monolayers and iodide ions for inhibition of copper corrosion in acidic media

(2014) Shu Shen et al.   RSC Advances

Molecular dynamics simulation of corrosive species diffusion in imidazoline inhibitor films with different alkyl chain length

(2013) Youguo Yan et al.   CORROSION SCIENCE

Experimental and theoretical evaluation of two pyridinecarboxaldehyde thiosemicarbazone compounds as corrosion inhibitors for mild steel in hydrochloric acid solution

(2013) Bin Xu et al.   CORROSION SCIENCE

Inhibition Effect of Rhodanine-N-Acetic Acid on Copper Corrosion in Acidic Media

(2013) Ali Döner et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Molecular dynamics simulation and quantum chemical calculations for the adsorption of some Azo-azomethine derivatives on mild steel

(2013) H. Shokry   JOURNAL OF MOLECULAR STRUCTURE

Insights into the nature of the coupling interactions between uracil corrosion inhibitors and copper: A DFT and molecular dynamics study

(2012) Weihua Wang et al.   CORROSION SCIENCE

Benzotriazole as a volatile corrosion inhibitor during the early stage of copper corrosion under adsorbed thin electrolyte layers

(2012) Zhenyu Chen et al.   CORROSION SCIENCE

Adsorption Behavior of Methimazole Monolayers on a Copper Surface and Its Corrosion Inhibition

(2012) Ying-Cheng Pan et al.   Journal of Physical Chemistry C

Molecular dynamics simulations of α- to β-poly(vinylidene fluoride) phase change by stretching and poling

(2012) Kavitha Chelakara Satyanarayana et al.   POLYMER

Molecular dynamics simulation of corrosive particle diffusion in benzimidazole inhibitor films

(2011) Jun Zhang et al.   CORROSION SCIENCE

Molecular dynamic and quantum chemical calculations for phthalazine derivatives as corrosion inhibitors of mild steel in 1M HCl

(2011) Ahmed Y. Musa et al.   CORROSION SCIENCE

Experimental and theoretical studies for corrosion inhibition of carbon steel by imidazoline derivative in 5% NaCl saturated Ca(OH)2 solution

(2011) Lijuan Feng et al.   ELECTROCHIMICA ACTA

Electrochemical, quantum chemical, and molecular dynamics studies on the interaction of 4-amino-4H,3,5-di(methoxy)-1,2,4-triazole (ATD), BATD, and DBATD on copper metal in 1N H2SO4

(2011) S. John et al.   MATERIALS AND CORROSION-WERKSTOFFE UND KORROSION

Molecular dynamics and quantum chemical calculation studies on 4,4-dimethyl-3-thiosemicarbazide as corrosion inhibitor in 2.5M H2SO4

(2011) Ahmed Y. Musa et al.   MATERIALS CHEMISTRY AND PHYSICS

A preliminary investigation of corrosion inhibition of mild steel in 0.5M H2SO4 by 2-amino-5-(n-pyridyl)-1,3,4-thiadiazole: Polarization, EIS and molecular dynamics simulations

(2010) Yongming Tang et al.   CORROSION SCIENCE

A theoretical study on the inhibition efficiencies of some amino acids as corrosion inhibitors of nickel

(2010) Gökhan Gece et al.   CORROSION SCIENCE

Theoretical evaluation of corrosion inhibition performance of imidazoline compounds with different hydrophilic groups

(2010) Jun Zhang et al.   CORROSION SCIENCE

What Determines the Inhibition Effectiveness of ATA, BTAH, and BTAOH Corrosion Inhibitors on Copper?

(2010) Anton Kokalj et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Experimental and molecular dynamics studies on corrosion inhibition of mild steel by 2-amino-5-phenyl-1,3,4-thiadiazole

(2009) Yongming Tang et al.   CORROSION SCIENCE

Molecular dynamics and density functional theory study on relationship between structure of imidazoline derivatives and inhibition performance

(2008) Shuwei Xia et al.   CORROSION SCIENCE

The use of quantum chemical methods in corrosion inhibitor studies

(2008) Gökhan Gece   CORROSION SCIENCE

Quantum chemical studies on the corrosion inhibition of some sulphonamides on mild steel in acidic medium

(2008) Taner Arslan et al.   CORROSION SCIENCE

Guanidine derivative as a new corrosion inhibitor for copper in 3% NaCl solution

(2008) K.F. Khaled   MATERIALS CHEMISTRY AND PHYSICS

Inhibitive properties, adsorption and a theoretical study of 3,5-bis(n-pyridyl)-4-amino-1,2,4-triazoles as corrosion inhibitors for mild steel in perchloric acid

(2007) Mounim Lebrini et al.   CORROSION SCIENCE