Exploring the feasibility of new eco-friendly heterocyclic compounds for establishing efficient corrosion protection for N80 steel in a simulated oil well acidizing environment: From molecular-level prediction to experimental validation

A DFT+U study on the adsorption of CO, H2S, PH3, CO2 and SO2 on the V2O5(001) surface with atomic Rh adsorbed.

(2022) Nahuel Moreno Yalet et al.   SURFACE SCIENCE

Aspartame as a Green and Effective Corrosion Inhibitor for T95 Carbon Steel in 15 wt.% HCl Solution

(2022) Ifeanyi E. Uzoma et al.   Sustainability

Performance evaluation of newly synthetized bi-pyrazole derivatives as corrosion inhibitors for mild steel in acid environment

(2022) K. Cherrak et al.   JOURNAL OF MOLECULAR STRUCTURE

A censorious appraisal of the oil well acidizing corrosion inhibitors

(2022) Moses M. Solomon et al.   JOURNAL OF PETROLEUM SCIENCE AND ENGINEERING

Synthesis, structural analysis and corrosion inhibition application of a new indazole derivative on mild steel surface in acidic media complemented with DFT and MD studies

(2021) Mohammed Boulhaoua et al.   COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS

Molecular modeling of organic corrosion inhibitors: calculations, pitfalls, and conceptualization of molecule–surface bonding

(2021) Anton Kokalj   CORROSION SCIENCE

Corrosion inhibition behavior of chalcone oxime derivatives on carbon steel in 0.5 M H2SO4

(2021) A. Thoume et al.   JOURNAL OF APPLIED ELECTROCHEMISTRY

Assessment of biodegradable glycine and glutamic acid based ionic liquids as mild steel corrosion inhibitors in acid solution: an experimental and theoretical approach

(2021) Saman Zehra et al.   JOURNAL OF MOLECULAR STRUCTURE

Recent Advances in the Synthesis of Ibuprofen and Naproxen

(2021) Min-Woo Ha et al.   MOLECULES

Hydrazone-based green corrosion inhibitors for API grade carbon steel in HCl: Insights from electrochemical, XPS, and computational studies

(2021) Oday Mohammad Ahmad Khamaysa et al.   COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS

Corrosion mitigation ability of differently synthesized polypyrrole (PPy-FeCl3 & PPy-APS) conductive polymers modified with Na2MoO4 on mild steel in 3.5% NaCl solution: Comparative study and optimization

(2021) Zahra Shahryari et al.   CORROSION SCIENCE

Bis-Mannich bases as effective corrosion inhibitors for N80 steel in 15% HCl medium

(2021) Xiaoyun Zhang et al.   JOURNAL OF MOLECULAR LIQUIDS

First‐principles based theoretical investigation of the adsorption of alkanethiols on the iron surface: A DFT-D3 study

(2021) Hassane Lgaz et al.   JOURNAL OF MOLECULAR LIQUIDS

Facile preparation of new hydrazone compounds and their application for long-term corrosion inhibition of N80 steel in 15% HCl: An experimental study combined with DFTB calculations

(2021) Hassane Lgaz et al.   JOURNAL OF MOLECULAR LIQUIDS

Density functional theory and molecular dynamics simulation studies of bio-based fatty hydrazide-corrosion inhibitors on Fe (1 1 0) in acidic media

(2021) Najihah Mazlan et al.   JOURNAL OF MOLECULAR LIQUIDS

Corrosion inhibitors: physisorbed or chemisorbed?

(2021) Anton Kokalj   CORROSION SCIENCE

Synthesis, structural characterization, Hirshfeld surface analysis and anti-corrosion on mild steel in 1M HCl of ethyl 2-(3-methyl-2-oxo-1,2-dihydroquinoxaline-1-yl)acetate

(2021) Mohcine Missioui et al.   JOURNAL OF MOLECULAR STRUCTURE

Waterborne polymers as kinetic/anti-agglomerant methane hydrate and corrosion inhibitors: a new and promising strategy for flow assurance

(2020) Abdolreza Farhadian et al.   Journal of Natural Gas Science and Engineering

DFTB+, a software package for efficient approximate density functional theory based atomistic simulations

(2020) B. Hourahine et al.   JOURNAL OF CHEMICAL PHYSICS

Adsorption of methyl isocyanate on M4 (M=Fe, Ni, and Cu) cluster-decorated graphene and vacancy graphene: a DFT-D2 study

(2020) Jogender et al.   STRUCTURAL CHEMISTRY

Imidazole derivatives as corrosion inhibitors for copper: A DFT and reactive force field study

(2020) Dharmendr Kumar et al.   CORROSION SCIENCE

Assessing corrosion inhibition characteristics of hydrazone derivatives on mild steel in HCl: Insights from electronic-scale DFT and atomic-scale molecular dynamics

(2020) Hassane Lgaz 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

Physical properties obtained from measurement model analysis of impedance measurements

(2020) Hangqi Liao et al.   ELECTROCHIMICA ACTA

Enhanced corrosion inhibition of carbon steel in HCl solution by a newly synthesized hydrazone derivative: Mechanism exploration from electrochemical, XPS, and computational studies

(2020) Oday Mohammad Ahmad Khamaysa et al.   JOURNAL OF MOLECULAR LIQUIDS

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

(2020) Dingli Wang et al.   CHEMICAL ENGINEERING JOURNAL

Unveiled understanding on corrosion inhibition mechanisms of hydrazone derivatives based on naproxen for mild steel in HCl: A joint experimental/theoretical study

(2020) Maryam Chafiq et al.   JOURNAL OF MOLECULAR LIQUIDS

(E)-2-styryl-1H-benzo[d]imidazole as novel green corrosion inhibitor for carbon steel: Experimental and computational approach

(2020) Vandana Srivastava et al.   JOURNAL OF MOLECULAR LIQUIDS

Carboxamide derivatives as new corrosion inhibitors for mild steel protection in hydrochloric acid solution

(2019) Roghayeh Sadeghi Erami et al.   CORROSION SCIENCE

Determining Gibbs energies of adsorption from corrosion inhibition efficiencies: Is it a reliable approach?

(2019) Monika S. Walczak et al.   CORROSION SCIENCE

Corrosion Inhibition of Mild Steel in 1.0 M HCl by two Hydrazone Derivatives

(2019) H Lgaz et al.   International Journal of Electrochemical Science

The differential adsorption mechanism of hexahydrated iron and hydroxyl irons on a pyrite (1 0 0) surface: A DFT study and XPS characterization

(2019) Xing-fu Zheng et al.   MINERALS ENGINEERING

A detailed computational exploration and experimental surface/electrochemical analyses of mild steel functionalized by zinc-aminotris methylene phosphonic acid complex film

(2019) Fatemeh Poshtiban et al.   APPLIED SURFACE 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

Inhibition performances of spirocyclopropane derivatives for mild steel protection in HCl

(2019) Maryam Chafiq et al.   MATERIALS CHEMISTRY AND PHYSICS

1,2-bis(4-chlorobenzylidene)Azine as new and effective corrosion inhibitor for copper in 0.1 N HCl: A combined experimental and theoretical approach

(2018) K. Abderrahim et al.   CHEMICAL PHYSICS LETTERS

Designing and fabricating of single and double alkyl-chain indazole derivatives self-assembled monolayer for corrosion inhibition of copper

(2018) Yujie Qiang et al.   CORROSION SCIENCE

Studying the corrosion inhibition of some prepared nonionic surfactants based on 3-(4-hydroxyphenyl) propanoic acid and estimating the influence of silver nanoparticles on the surface parameters

(2018) Ali A. Abd-Elaal 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

Studying the Urtica dioica leaves extract inhibition effect on the mild steel corrosion in 1 M HCl solution: Complementary experimental, ab initio quantum mechanics, Monte Carlo and molecular dynamics studies

(2018) Mohammad Ramezanzadeh et al.   JOURNAL OF MOLECULAR LIQUIDS

Hydrazide Derivatives: An Overview of Their Inhibition Activity against Acid Corrosion of Mild Steel

(2018) Prakash Shetty   SOUTH AFRICAN JOURNAL OF CHEMISTRY-SUID-AFRIKAANSE TYDSKRIF VIR CHEMIE

Improved corrosion resistance of mild steel in acidic solution by hydrazone derivatives: An experimental and computational study

(2018) Hassane Lgaz et al.   Arabian Journal of Chemistry

Film former corrosion inhibitors for oil and gas pipelines - A technical review

(2018) M. Askari et al.   Journal of Natural Gas Science and Engineering

Synthesis and Characterization of a Bis-Pyrazoline Derivative as Corrosion Inhibitor for A283 Carbon Steel in 1M HCl: Electrochemical, Surface, DFT and MD Simulation Studies

(2018) I. Selatnia et al.   Protection of Metals and Physical Chemistry of Surfaces

Active corrosion protection of mild steel by an epoxy ester coating reinforced with hybrid organic/inorganic green inhibitive pigment

(2017) Zahra Sanaei et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Pyrimidine derivatives as novel acidizing corrosion inhibitors for N80 steel useful for petroleum industry: A combined experimental and theoretical approach

(2017) Jiyaul Haque et al.   JOURNAL OF INDUSTRIAL AND ENGINEERING CHEMISTRY

Anticorrosion performance of three newly synthesized isatin derivatives on carbon steel in hydrochloric acid pickling environment: Electrochemical, surface and theoretical studies

(2017) Y. Kharbach et al.   JOURNAL OF MOLECULAR LIQUIDS

Electrochemical, morphological and theoretical insights of a new environmentally benign organic inhibitor for mild steel corrosion in acidic media

(2017) Raman Kumar et al.   JOURNAL OF MOLECULAR LIQUIDS

Correlated experimental and theoretical study on inhibition behavior of novel quinoline derivatives for the corrosion of mild steel in hydrochloric acid solution

(2017) Hassane Lgaz et al.   JOURNAL OF MOLECULAR LIQUIDS

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

New phosphonate based corrosion inhibitors for mild steel in hydrochloric acid useful for industrial pickling processes: experimental and theoretical approach

(2017) Neeraj Kumar Gupta et al.   NEW JOURNAL OF CHEMISTRY

Toward understanding the adsorption mechanism of large size organic corrosion inhibitors on an Fe(110) surface using the DFTB method

(2017) Lei Guo et al.   RSC Advances

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

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

Experimental and theoretical studies on the corrosion inhibition of copper by two indazole derivatives in 3.0% NaCl solution

(2016) Yujie Qiang et al.   JOURNAL OF COLLOID AND INTERFACE SCIENCE

Inhibition properties and adsorption behavior of 5-arylazothiazole derivatives on 1018 carbon steel in 0.5M H2SO4 solution

(2016) M. Abdallah 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

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

Steel Corrosion Inhibition by Bupleurum lancifolium (Apiaceae) Extract in Acid Solution

(2014) M. Benahmed et al.   TRANSACTIONS OF THE INDIAN INSTITUTE OF METALS

Electrochemical Adsorption Properties and Inhibition of Brass Corrosion in Natural Seawater by Thiadiazole Derivatives: Experimental and Theoretical Investigation

(2011) Joseph Raj Xavier et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

The COSMO and COSMO-RS solvation models

(2011) Andreas Klamt   Wiley Interdisciplinary Reviews-Computational Molecular Science

Is the analysis of molecular electronic structure of corrosion inhibitors sufficient to predict the trend of their inhibition performance

(2010) Anton Kokalj   ELECTROCHIMICA ACTA

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

Corrosion control of mild steel using 3,5-bis(4-methoxyphenyl)-4-amino-1,2,4-triazole in normal hydrochloric acid medium

(2009) Fouad Bentiss et al.   CORROSION SCIENCE

Photoelectron spectroscopy study of the inhibition of mild steel corrosion by molybdate and nitrite anions

(2009) A.A. Al-Refaie et al.   CORROSION SCIENCE

Determination of effective capacitance and film thickness from constant-phase-element parameters

(2009) Bryan Hirschorn et al.   ELECTROCHIMICA ACTA

Covalent radii revisited

(2008) Beatriz Cordero et al.   DALTON TRANSACTIONS

Investigation of adsorption and inhibitive effect of 2-mercaptothiazoline on corrosion of mild steel in hydrochloric acid media

(2008) R. Solmaz et al.   ELECTROCHIMICA ACTA