A Comprehensive Computational Study of N-Phenylacetamide Derivatives as Corrosion Inhibitors for Copper: Insights from DFT and Molecular Dynamics

Exploring of an ecological corrosion inhibitor of wood hibiscus leaf extract for the Cu/H2SO4 system based on experimental study and theoretical calculations

(2023) Zhixiong Xu et al.   Journal of the Taiwan Institute of Chemical Engineers

Insight into the corrosion inhibition mechanism and adsorption behavior of aldehyde derivatives for mild steel in 1.0 M HCl and 0.5 M H2SO4

(2023) Jamila Lazrak et al.   COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS

Simultaneous inhibition of natural gas hydrate formation and CO2/H2S corrosion for flow assurance inside the oil and gas pipelines

(2023) Abdolreza Farhadian et al.   ENERGY

Passiflora edulis Sims peel extract as a renewable corrosion inhibitor for mild steel in phosphoric acid solution

(2023) Bilan Lin et al.   JOURNAL OF MOLECULAR LIQUIDS

Coupling of experimental and theoretical studies to apprehend the action of benzodiazepine derivative as a corrosion inhibitor of carbon steel in 1M HCl

(2023) N. Benzbiria et al.   JOURNAL OF MOLECULAR STRUCTURE

Electronic structure and quantum chemical analysis of the corrosion inhibition efficiency of quinoxalines

(2023) Dyari Mustafa Mamand et al.   JOURNAL OF THE INDIAN CHEMICAL SOCIETY

Synergistic mixture of Eupatorium adenophora spreng leaves extract and KI as a novel green inhibitor for steel corrosion in 5.0 M H3PO4

(2023) Haoquan Wang et al.   Journal of Materials Research and Technology-JMR&T

Potential sustainable electrochemical corrosion inhibition study of Citrus limetta on mild steel surface in aggressive acidic media

(2023) A.S. Sowmyashree et al.   Journal of Materials Research and Technology-JMR&T

Synergistic effect in Tragacanth Gum-Ceftriaxone hybrid system as an environmentally friendly corrosion inhibitor for mild steel in acidic solutions

(2023) Mohammad Reza Barrodi et al.   Materials Today Communications

Multidimensional insight into the corrosion mitigation of clonazepam drug molecule on mild steel in chloride environment: Empirical and computer simulation explorations

(2023) F.E. Abeng et al.   Results in Engineering

Experimental and molecular simulation studies of N, S-doped Carbon dots as an eco-friendly corrosion inhibitor for protecting Cu in HCl environment

(2023) Zhixiong Liu et al.   COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS

Honeysuckle extract as an environment-friendly corrosion inhibitor for copper in sulfuric acid medium

(2023) Yuanhan Sun et al.   INDUSTRIAL CROPS AND PRODUCTS

N-Acetyl cysteine and d-penicillamine as green corrosion inhibitors for copper in 3% NaCl

(2023) Ivana Martinović et al.   International Journal of Electrochemical Science

Combined atomic-scale/DFT-theoretical simulations and corrosion protection study of AA2024-T3 in 3.5% NaCl by phenolphthalein derivatives: Surface characterization (FT-IR, FT-RAMAN, and SEM)

(2023) Yasmine Fernine et al.   Journal of Electroanalytical Chemistry

Experimental and theoretical insights into Oxalis corniculata L. extract as a sustainable and eco–friendly corrosion inhibitor for carbon steel in acidic environments

(2023) Qihui Wang et al.   MATERIALS CHEMISTRY AND PHYSICS

Theoretical investigation on corrosion inhibition efficiency of some amino acid compounds

(2023) Hazhar Hamad Rasul et al.   Computational and Theoretical Chemistry

Inhibition of mild steel corrosion in 1 M H2SO4 by a gemini surfactant 1,6-hexyldiyl-bis-(dimethyldodecylammonium bromide): ANN, RSM predictive modeling, quantum chemical and MD simulation studies

(2022) Shamsuddeen A. Haladu et al.   JOURNAL OF MOLECULAR LIQUIDS

Insight into the anti–corrosion performance of Artemisia argyi leaves extract as eco–friendly corrosion inhibitor for carbon steel in HCl medium

(2022) Qihui Wang et al.   Sustainable Chemistry and Pharmacy

RIFM fragrance ingredient safety assessment, acetanilide, CAS Registry Number 103-84-4

(2022) A.M. Api et al.   FOOD AND CHEMICAL TOXICOLOGY

Assessment of corrosion inhibition performance of origanum compactum extract for mild steel in 1 M HCl: Weight loss, electrochemical, SEM/EDX, XPS, DFT and molecular dynamic simulation

(2022) A. Berrissoul et al.   INDUSTRIAL CROPS AND PRODUCTS

Inter-component synergetic corrosion inhibition mechanism of Passiflora edulia Sims shell extract for mild steel in pickling solution: Experimental, DFT and reactive dynamics investigations

(2022) Baomin Fan et al.   Sustainable Chemistry and Pharmacy

Adsorption study of N (-benzo[d]thiazol-2-yl)-1-(thiophene-2-yl) methanimine at mild steel/aqueous H2SO4 interface

(2022) Ashish Kumar Singh et al.   Surfaces and Interfaces

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

(2022) Badr El-Haitout et al.   COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS

Adsorption and corrosion inhibition performance of rice bran extract on carbon steel in aqueous chloride solution: Experimental, computational and theoretical studies

(2022) Zijian Song et al.   CONSTRUCTION AND BUILDING MATERIALS

Computational modelling and theoretical calculations on hydroxy citric acid and mangostine and comparing the corrosion inhibition effect of aqueous and alcoholic extracts Garcinia cambogia leaves for mild steel in hydrochloric acid

(2022) Jeeja Rani A T et al.   JOURNAL OF MOLECULAR STRUCTURE

Carissa macrocarpa extract (ECM) as a new efficient and ecologically friendly corrosion inhibitor for copper in nitric acid: Experimental and theoretical approach

(2022) A. El-Asri et al.   Journal of the Taiwan Institute of Chemical Engineers

Interaction of newly synthesized dipeptide Schiff bases with mild steel surface in aqueous HCl: Experimental and theoretical study on thermodynamics, adsorption and anti-corrosion characteristics

(2022) Sanjoy Satpati et al.   MATERIALS CHEMISTRY AND PHYSICS

Acylamino-functionalized hyper-cross-linked polymers for efficient adsorption removal of phenol in aqueous solution

(2022) Yiwen Cao et al.   SEPARATION AND PURIFICATION TECHNOLOGY

Experimental and computational approaches of sustainable quaternary bisammonium fluorosurfactants for corrosion inhibition as protective films at mild steel/H2SO4 interface

(2021) Ahmed H. Tantawy et al.   COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS

Chalcone oxime derivatives as new inhibitors corrosion of carbon steel in 1 M HCl solution

(2021) A. Thoume et al.   JOURNAL OF MOLECULAR LIQUIDS

Performance of two new epoxy resins as potential corrosion inhibitors for carbon steel in 1MHCl medium: Combining experimental and computational approaches

(2021) Naoual El-Aouni et al.   COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS

Nitrogen-doped carbon quantum dots for effective corrosion inhibition of Q235 steel in concentrated sulphuric acid solution

(2021) Xumin Xu et al.   Materials Today Communications

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

Design of Novel Reactive Dyes Containing Cationic Groups: Mechanism and Application for Environmentally Friendly Cotton Dyeing

(2020) Meihui Wang et al.   FIBERS AND POLYMERS

Cyclohexylamine an effective corrosion inhibitor for mild steel in 0.1 N H2SO4: Experimental and theoretical (molecular dynamics simulation and FMO) study

(2020) Harish Kumar et al.   JOURNAL OF MOLECULAR LIQUIDS

The para hydroxy acetanilide and acetanilide mixture for the protection from corrosion of alloyed zinc

(2018) Daoiya Zouied et al.   ANTI-CORROSION METHODS AND MATERIALS

Synthesis, spectral analysis, anti-corrosive activity and theoretical study of an aromatic hydrazone derivative

(2018) Nadjib Chafai et al.   JOURNAL OF MOLECULAR STRUCTURE

Quantum chemical and molecular dynamics simulation studies on inhibition performances of some thiazole and thiadiazole derivatives against corrosion of iron

(2016) Savaş Kaya et al.   JOURNAL OF MOLECULAR LIQUIDS

DFT calculations of thiosemicarbazide, arylisothiocynates, and 1-aryl-2,5-dithiohydrazodicarbonamides as corrosion inhibitors of copper in an aqueous chloride solution

(2015) Nuha Ahmed Wazzan   JOURNAL OF INDUSTRIAL AND ENGINEERING CHEMISTRY