Trifunctional epoxy resin as anticorrosive material for carbon steel in 1 M HCl: Experimental and computational studies

Trifunctional epoxy polymer as corrosion inhibition material for carbon steel in 1.0 M HCl: MD simulations, DFT and complexation computations

(2020) Rachid Hsissou et al.   INORGANIC CHEMISTRY COMMUNICATIONS

Highly durable macromolecular epoxy resin as anticorrosive coating material for carbon steel in 3% NaCl: Computational supported experimental studies

(2020) Omar Dagdag et al.   JOURNAL OF APPLIED POLYMER SCIENCE

Multidimensional insights into the corrosion inhibition of 3,3-Dithiodipropionic acid on Q235 steel in H2SO4 medium: A combined experimental and in silico investigation

(2020) Lei Guo et al.   JOURNAL OF COLLOID AND INTERFACE SCIENCE

Highly functionalized epoxy macromolecule as an anti-corrosive material for carbon steel: Computational (DFT, MDS), surface (SEM-EDS) and electrochemical (OCP, PDP, EIS) studies

(2020) O. Dagdag et al.   JOURNAL OF MOLECULAR LIQUIDS

Synthesis of Macromolecular Aromatic Epoxy Resins as Anticorrosive Materials: Computational Modeling Reinforced Experimental Studies

(2020) Omar Dagdag et al.   ACS Omega

Rheological and Electrical Study of a Composite Material Based on an Epoxy Polymer Containing Cyclotriphosphazene

(2020) O. Dagdag et al.   Polymers

New Epoxy sugar based glucose derivatives as eco friendly corrosion inhibitors for the carbon steel in 1.0 M HCl: Experimental and theoretical investigations

(2020) M. Rbaa et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Designing of phosphorous based highly functional dendrimeric macromolecular resin as an effective coating material for carbon steel in NaCl : Computational and experimental studies

(2020) Omar Dagdag et al.   JOURNAL OF APPLIED POLYMER SCIENCE

Development and potential performance of prepolymer in corrosion inhibition for carbon steel in 1.0 M HCl: Outlooks from experimental and computational investigations

(2020) Rachid Hsissou et al.   JOURNAL OF COLLOID AND INTERFACE SCIENCE

Locust Bean Gum as a green and novel corrosion inhibitor for Q235 steel in 0.5 M H2SO4 medium

(2020) Lei Guo et al.   JOURNAL OF MOLECULAR LIQUIDS

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

Detailed-level computer modeling explorations complemented with comprehensive experimental studies of Quercetin as a highly effective inhibitor for acid-induced steel corrosion

(2020) Ali Dehghani et al.   JOURNAL OF MOLECULAR LIQUIDS

Lemon seeds as green coating material for mitigation of mild steel corrosion in acid media: Molecular dynamics simulations, quantum chemical calculations and electrochemical studies

(2020) Shweta Pal et al.   JOURNAL OF MOLECULAR LIQUIDS

Impact of selected ionic liquids on corrosion protection of mild steel in acidic medium: Experimental and computational studies

(2020) Anitah A. Nkuna 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

Imidazolium based ionic liquid as an efficient and green corrosion constraint for mild steel at acidic pH levels

(2019) Bhaskaran et al.   JOURNAL OF MOLECULAR LIQUIDS

A detailed electrochemical/theoretical exploration of the aqueous Chinese gooseberry fruit shell extract as a green and cheap corrosion inhibitor for mild steel in acidic solution

(2019) Ali Dehghani et al.   JOURNAL OF MOLECULAR LIQUIDS

Effect of organic anions on ionic liquids as corrosion inhibitors of steel in sulfuric acid solution

(2019) Natalya V. Likhanova et al.   JOURNAL OF MOLECULAR LIQUIDS

DGEBA‐polyaminoamide as effective anti‐corrosive material for 15CDV6 steel in NaCl medium: Computational and experimental studies

(2019) Omar Dagdag et al.   JOURNAL OF APPLIED POLYMER SCIENCE

Anticorrosive property of heterocyclic based epoxy resins on carbon steel corrosion in acidic medium: Electrochemical, surface morphology, DFT and Monte Carlo simulation studies

(2019) O. Dagdag et al.   JOURNAL OF MOLECULAR LIQUIDS

Evaluating prolonged corrosion inhibition performance of benzyltributylammonium tetrachloroaluminate ionic liquid using electrochemical analysis and Monte Carlo simulation

(2019) Perumal Kannan et al.   JOURNAL OF MOLECULAR LIQUIDS

Integrated modeling and electrochemical study of Myrobalan extract for mild steel corrosion retardation in acidizing media

(2019) Ali Dehghani et al.   JOURNAL OF MOLECULAR LIQUIDS

Epoxy pre-polymers as new and effective materials for corrosion inhibition of carbon steel in acidic medium: Computational and experimental studies

(2019) Omar Dagdag et al.   Scientific Reports

Epoxy prepolymer as a novel anti-corrosive material for carbon steel in acidic solution: Electrochemical, surface and computational studies

(2019) O. Dagdag et al.   Materials Today Communications

Choline based ionic liquids as sustainable corrosion inhibitors on mild steel surface in acidic medium: Gravimetric, electrochemical, surface morphology, DFT and Monte Carlo simulation studies

(2018) Chandrabhan Verma et al.   APPLIED SURFACE SCIENCE

Anticorrosive Effects of Some Thiophene Derivatives Against the Corrosion of Iron: A Computational Study

(2018) Lei Guo et al.   Frontiers in Chemistry

On the understanding of the adsorption of Fenugreek gum on mild steel in an acidic medium: Insights from experimental and computational studies

(2018) Hassane Lgaz et al.   APPLIED SURFACE SCIENCE

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

A computational study on corrosion inhibition performances of novel quinoline derivatives against the corrosion of iron

(2017) Şaban Erdoğan et al.   JOURNAL OF MOLECULAR STRUCTURE

Corrosion inhibition of mild steel in 1M HCl by D-glucose derivatives of dihydropyrido [2,3-d:6,5-d′] dipyrimidine-2, 4, 6, 8(1H,3H, 5H,7H)-tetraone

(2017) Chandrabhan Verma et al.   Scientific Reports

Vibrational spectroscopic studies, Fukui functions, HOMO-LUMO, NLO, NBO analysis and molecular docking study of (E)-1-(1,3-benzodioxol-5-yl)-4,4-dimethylpent-1-en-3-one, a potential precursor to bioactive agents

(2016) Reem I. Al-Wabli et al.   JOURNAL OF MOLECULAR STRUCTURE

Performance evaluation of pectin as ecofriendly corrosion inhibitor for X60 pipeline steel in acid medium: Experimental and theoretical approaches

(2015) Saviour A. Umoren et al.   CARBOHYDRATE POLYMERS

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

Theoretical evaluation of corrosion inhibition performance of three antipyrine compounds

(2015) Hongfu Mi et al.   Computational and Theoretical Chemistry

Corrosion inhibition effect of spiropyrimidinethiones on mild steel in 15% HCl solution: insight from electrochemical and quantum studies

(2015) M. Yadav et al.   RSC Advances

A DFT Study on the Stepwise Fluorinated Methylenecyclopropane ⇋ 1-Methylcyclopropene System

(2015) Salim M. Khalil   ZEITSCHRIFT FUR NATURFORSCHUNG SECTION A-A JOURNAL OF PHYSICAL SCIENCES

Corrosion inhibition of mild steel in acidic solution by Tagetes erecta (Marigold flower) extract as a green inhibitor

(2014) Punita Mourya et al.   CORROSION SCIENCE

Why is the dual descriptor a more accurate local reactivity descriptor than Fukui functions?

(2014) Jorge Ignacio Martínez-Araya   JOURNAL OF MATHEMATICAL CHEMISTRY

Novel benzimidazole derivatives as corrosion inhibitors of mild steel in the acidic media. Part I: Gravimetric, electrochemical, SEM and XPS studies

(2013) Yongming Tang et al.   CORROSION SCIENCE

THERMODYNAMIC ANALYSIS OF ADSORPTION MODELS OF PHENOL IN LIQUID PHASE ON DIFFERENT ACTIVATED CARBONS

(2013) P. D HÚMPOLA et al.   JOURNAL OF THE CHILEAN CHEMICAL SOCIETY

The Woodward–Hoffmann Rules Reinterpreted by Conceptual Density Functional Theory

(2012) Paul Geerlings et al.   ACCOUNTS OF CHEMICAL RESEARCH

Investigation of the effect of 4,5-dichloro-2-n-octyl-4-isothiazolin-3-one inhibition on the corrosion of carbon steel in Bacillus sp. inoculated artificial seawater

(2012) Mamosemh Moradi et al.   CORROSION SCIENCE

Corrosion inhibition of carbon steel using novel N-(2-(2-mercaptoacetoxy)ethyl)-N,N-dimethyl dodecan-1-aminium bromide during acid pickling

(2012) M.A. Hegazy et al.   CORROSION SCIENCE

On the HSAB based estimate of charge transfer between adsorbates and metal surfaces

(2011) Anton Kokalj   CHEMICAL PHYSICS

Quantum chemical investigation and statistical analysis of the relationship between corrosion inhibition efficiency and molecular structure of xanthene and its derivatives on mild steel in sulphuric acid

(2011) N.O. Obi-Egbedi et al.   JOURNAL OF MOLECULAR STRUCTURE

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

(2010) Anton Kokalj   ELECTROCHIMICA ACTA

The kinetic and thermodynamic studies of phenol-sorption onto three agro-based carbons

(2008) V. Srihari et al.   DESALINATION

Aminic nitrogen-bearing polydentate Schiff base compounds as corrosion inhibitors for iron in acidic media: A quantum chemical calculation

(2007) Hong Ju et al.   CORROSION SCIENCE

Liquid-phase adsorption of phenols using activated carbons derived from agricultural waste material

(2007) Kunwar P. Singh et al.   JOURNAL OF HAZARDOUS MATERIALS