Corrosion inhibition performance of 4-(prop-2-ynyl)- [1,4]-benzothiazin-3-one against mild steel in 1 M HCl solution: Experimental and theoretical studies

A gossypol derivative as an efficient corrosion inhibitor for St2 steel in 1 M HCl + 1 M KCl: An experimental and theoretical investigation

(2021) Elyor Berdimurodov et al.   JOURNAL OF MOLECULAR LIQUIDS

Synthesis, Density Functional Theory study, molecular dynamics simulation and anti-corrosion performance of two benzidine Schiff bases

(2021) Abdelghani Madani et al.   JOURNAL OF MOLECULAR STRUCTURE

Competitive corrosion inhibition performance of alkyl/acyl substituted 2-(2-hydroxybenzylideneamino)phenol protecting mild steel used in adverse acidic medium: A dual approach analysis using FMOs/molecular dynamics simulation corroborated experimental findings

(2021) Sirsendu Sengupta et al.   COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS

Corrosion inhibition of copper in 0.5 M NaCl solutions by aqueous and hydrolysis acid extracts of olive leaf

(2020) Philippe Refait et al.   JOURNAL OF ELECTROANALYTICAL CHEMISTRY

Polar group substituted imidazolium zwitterions as eco-friendly corrosion inhibitors for mild steel in acid solution

(2020) Jiyaul Haque et al.   CORROSION SCIENCE

Novel and efficient curcumin based fluorescent polymer for scale and corrosion inhibition

(2020) Xiaojing Yuan et al.   CHEMICAL ENGINEERING JOURNAL

Anti-corrosion performance of 8-hydroxyquinoline derivatives for mild steel in acidic medium: Gravimetric, electrochemical, DFT and molecular dynamics simulation investigations

(2020) Dhaybia Douche et al.   JOURNAL OF MOLECULAR LIQUIDS

A theoretical and experimental study of castor oil-based inhibitor for corrosion inhibition of mild steel in acidic medium at elevated temperatures

(2020) Abdolreza Farhadian et al.   CORROSION SCIENCE

A novel use of solid waste extract from tea factory as corrosion inhibitor in acidic media on boiler quality steel

(2020) Abhradip Pal et al.   INDUSTRIAL CROPS AND PRODUCTS

Electrochemical and theoretical insights on the adsorption and corrosion inhibition of novel pyridinium-derived ionic liquids for mild steel in 1 M HCl

(2020) F. El-Hajjaji et al.   JOURNAL OF MOLECULAR LIQUIDS

Investigation on corrosion protection behavior and adsorption of carbohydrazide-pyrazole compounds on mild steel in 15% HCl solution: Electrochemical and computational approach

(2020) Priya Kumari Paul et al.   JOURNAL OF MOLECULAR LIQUIDS

Bis-benzothiazoles as efficient corrosion inhibitors for mild steel in aqueous HCl: Molecular structure-reactivity correlation study

(2020) Aditya Suhasaria et al.   JOURNAL OF MOLECULAR LIQUIDS

Molecular structural aspects of organic corrosion inhibitors: Experimental and computational insights

(2020) Dheeraj Singh Chauhan et al.   JOURNAL OF MOLECULAR STRUCTURE

Novel surfactants as green corrosion inhibitors for mild steel in 15% HCl: Experimental and theoretical studies

(2020) Dingli Wang et al.   CHEMICAL ENGINEERING JOURNAL

Solvent and catalyst-free synthesis, corrosion protection, thermodynamic, MDS and DFT calculation of two environmentally friendly inhibitors: Bis-phosphonic acids

(2020) Louiza Ouksel et al.   JOURNAL OF MOLECULAR STRUCTURE

Molecular dynamics simulation and DFT calculation of “green” scale and corrosion inhibitor

(2020) Xuesong Chen et al.   COMPUTATIONAL MATERIALS SCIENCE

Experimental, adsorption, quantum chemical and molecular dynamics simulation studies on the corrosion inhibition performance of Vincamine on J55 steel in acidic medium

(2020) Nkem B. Iroha et al.   JOURNAL OF MOLECULAR STRUCTURE

Pyridinium-based ionic liquids as novel eco-friendly corrosion inhibitors for mild steel in molar hydrochloric acid: Experimental & computational approach

(2020) F. EL Hajjaji et al.   Surfaces and Interfaces

Towards Understanding the Anticorrosive Mechanism of Novel Surfactant Based on Mentha pulegium Oil as Eco-friendly Bio-source of Mild Steel in Acid Medium: a Combined DFT and Molecular Dynamics Investigation

(2019) Asmae Bouoidina et al.   CHEMICAL RESEARCH IN CHINESE UNIVERSITIES

Green synthesis of 1-benzyl-4-phenyl-1H-1,2,3-triazole, its application as corrosion inhibitor for mild steel in acidic medium and new approach of classical electrochemical analyses

(2019) Caio Machado Fernandes et al.   CORROSION SCIENCE

Myristic acid based imidazoline derivative as effective corrosion inhibitor for steel in 15% HCl medium

(2019) Moses M. Solomon et al.   JOURNAL OF COLLOID AND INTERFACE SCIENCE

Non-toxic bisacodyl as an effective corrosion inhibitor for mild steel in 1 M HCl: Thermodynamic, electrochemical, SEM, EDX, AFM, FT-IR, DFT and molecular dynamics simulation studies

(2019) G. Vengatesh et al.   JOURNAL OF MOLECULAR LIQUIDS

Highly efficient corrosion inhibitor for C1020 carbon steel during acid cleaning in multistage flash (MSF) desalination plant

(2019) Aeshah H. Alamri et al.   DESALINATION

Novel synthesized cationic surfactants based on natural piper nigrum as sustainable-green inhibitors for steel pipeline corrosion in CO2-3.5%NaCl: DFT, Monte Carlo simulations and experimental approaches

(2019) Ahmed H. Tantawy et al.   JOURNAL OF CLEANER PRODUCTION

Evaluation of Eulychnia acida and Echinopsis chiloensis (Cactaceae) extracts in inhibiting corrosion of carbon steel in HCl solution

(2019) Francisco Figueredo et al.   MATERIALS AND CORROSION-WERKSTOFFE UND KORROSION

Studies of Inhibition effect “E & Z’’ Configurations of hydrazine Derivatives on Mild Steel Surface in phosphoiric acid

(2019) M.E. Belghiti et al.   Journal of Materials Research and Technology-JMR&T

Experimental and computational studies on propanone derivatives of quinoxalin-6-yl-4,5-dihydropyrazole as inhibitors of mild steel corrosion in hydrochloric acid

(2019) Lukman O. Olasunkanmi et al.   JOURNAL OF COLLOID AND INTERFACE SCIENCE

Bis(2-aminoethyl)amine-modified graphene oxide nanoemulsion for carbon steel protection in 15% HCl: Effect of temperature and synergism with iodide ions

(2019) K.R. Ansari et al.   JOURNAL OF COLLOID AND INTERFACE SCIENCE

DFT computations and molecular dynamics investigations on conformers of some pyrazinamide derivatives as corrosion inhibitors for aluminum

(2019) Nesrine Ammouchi et al.   JOURNAL OF MOLECULAR LIQUIDS

Amino acids modified konjac glucomannan as green corrosion inhibitors for mild steel in HCl solution

(2018) Kegui Zhang et al.   CARBOHYDRATE POLYMERS

Fabrication and characterization of graphene-based carbon hollow spheres for encapsulation of organic corrosion inhibitors

(2018) S.A. Haddadi et al.   CHEMICAL ENGINEERING JOURNAL

Piperine derivatives as green corrosion inhibitors on iron surface; DFT, Monte Carlo dynamics study and complexation modes

(2018) M.E. Belghiti et al.   JOURNAL OF MOLECULAR LIQUIDS

Theoretical study of N-thiazolyl-2-cyanoacetamide derivatives as corrosion inhibitor for aluminum in alkaline environments

(2018) X.Y. Zhang et al.   Computational and Theoretical Chemistry

Corrosion inhibition of mild steel in 1 M HCl solution by ethanolic extract of eco-friendly Mangifera indica (mango) leaves: Electrochemical, molecular dynamics, Monte Carlo and ab initio study

(2018) Mohammad Ramezanzadeh et al.   APPLIED SURFACE SCIENCE

Effect of stereochemical conformation into the corrosion inhibitive behaviour of double azomethine based Schiff bases on mild steel surface in 1 mol L−1 HCl medium: An experimental, density functional theory and molecular dynamics simulation study

(2018) Manilal Murmu et al.   CORROSION SCIENCE

Electrochemical, DFT and MD simulation of newly synthesized triazolotriazepine derivatives as corrosion inhibitors for carbon steel in 1 M HCl

(2018) Youness El Bakri et al.   JOURNAL OF MOLECULAR LIQUIDS

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

Corrosion inhibition of offshore oil and gas production facilities using organic compound inhibitors - A review

(2017) Abass A. Olajire   JOURNAL OF MOLECULAR LIQUIDS

Corrosion inhibition and adsorption behaviour of some bis-pyrimidine derivatives on mild steel in acidic medium

(2017) Nagarajan Anusuya et al.   JOURNAL OF MOLECULAR LIQUIDS

Understanding the adsorption of newly Benzylidene-aniline derivatives as a corrosion inhibitor for carbon steel in hydrochloric acid solution: Experimental, DFT and molecular dynamic simulation studies

(2017) M.E. Belghiti et al.   Arabian Journal of Chemistry

CrystalExplorer model energies and energy frameworks: extension to metal coordination compounds, organic salts, solvates and open-shell systems

(2017) Campbell F. Mackenzie et al.   IUCrJ

Experimental, quantum chemical and Monte Carlo simulation studies of 3,5-disubstituted-4-amino-1,2,4-triazoles as corrosion inhibitors on mild steel in acidic medium

(2016) M. ElBelghiti et al.   JOURNAL OF MOLECULAR LIQUIDS

Novel Schiff-base molecules as efficient corrosion inhibitors for mild steel surface in 1 M HCl medium: experimental and theoretical approach

(2016) Sourav Kr. Saha et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Crystal structure, Hirshfeld surfaces and DFT computation of NLO active (2E)-2-(ethoxycarbonyl)-3-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino] prop-2-enoic acid

(2016) Perumal Venkatesan et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

Performance Evaluation of a Chitosan/Silver Nanoparticles Composite on St37 Steel Corrosion in a 15% HCl Solution

(2016) Moses M. Solomon et al.   ACS Sustainable Chemistry & Engineering

Energy frameworks: insights into interaction anisotropy and the mechanical properties of molecular crystals

(2015) Michael J. Turner et al.   CHEMICAL COMMUNICATIONS

Correlating electronic structure with corrosion inhibition potentiality of some bis-benzimidazole derivatives for mild steel in hydrochloric acid: Combined experimental and theoretical studies

(2015) Alokdut Dutta et al.   CORROSION SCIENCE

Molecular dynamics simulation of inhibition mechanism of 3,5-dibromo salicylaldehyde Schiff’s base

(2015) Si-Wei Xie et al.   Computational and Theoretical Chemistry

Quantitative analysis of intermolecular interactions in orthorhombic rubrene

(2015) Venkatesha R. Hathwar et al.   IUCrJ

Application of corrosion inhibitors for steels in acidic media for the oil and gas industry: A review

(2014) Matjaž Finšgar et al.   CORROSION SCIENCE

Experimental and theoretical studies for mild steel corrosion inhibition in 1M HCl by two new benzothiazine derivatives

(2013) T. Ghailane et al.   CORROSION SCIENCE

Synergistic effect between 2-oleyl-1-oleylamidoethyl imidazoline ammonium methylsulfate and halide ion by molecular dynamics simulation

(2013) Ailing Guo et al.   Computational and Theoretical Chemistry

Novel thiophene symmetrical Schiff base compounds as corrosion inhibitor for mild steel in acidic media

(2011) S. Issaadi et al.   CORROSION SCIENCE

Computer simulation of diffusion of corrosive particle in corrosion inhibitor membrane

(2010) Song-Qing Hu et al.   Computational and Theoretical Chemistry

Hirshfeld surface analysis

(2008) Mark A. Spackman et al.   CRYSTENGCOMM