An overview of computational and theoretical studies on analyzing adsorption performance of phytochemicals as metal corrosion inhibitors

Plant extracts as green corrosion inhibitor for ferrous metal alloys: A review

(2021) Siti Zuliana Salleh et al.   Journal of Cleaner Production

Adsorption and inhibition mechanism of efficient and environment friendly corrosion inhibitor for mild steel: Experimental and theoretical study

(2021) Harish Kumar et al.   JOURNAL OF MOLECULAR LIQUIDS

Pumpkin seeds as an eco-friendly corrosion inhibitor for 7075-T6 alloy in 3.5% NaCl solution: Electrochemical, surface and computational studies

(2021) M. Radi et al.   JOURNAL OF MOLECULAR LIQUIDS

Combined atomic-scale/DFT-theoretical simulations & electrochemical assessments of the chamomile flower extract as a green corrosion inhibitor for mild steel in HCl solution

(2021) M.H. Shahini et al.   JOURNAL OF MOLECULAR LIQUIDS

Olive leaf extract as a green corrosion inhibitor of reinforced concrete contaminated with seawater

(2020) Marwa Ben Harb et al.   Arabian Journal of Chemistry

Adsorption and corrosion inhibition performance of multi-phytoconstituents from Dioscorea septemloba on carbon steel in acidic media: Characterization, experimental and theoretical studies

(2020) Wilfred Emori et al.   COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS

Potential role of a novel green eco-friendly inhibitor in corrosion inhibition of mild steel in HCl solution: Detailed macro/micro-scale experimental and computational explorations

(2020) Ali Dehghani et al.   CONSTRUCTION AND BUILDING MATERIALS

Aloe polysaccharide as an eco-friendly corrosion inhibitor for mild steel in simulated acidic oilfield water: Experimental and theoretical approaches

(2020) Weiwei Zhang et al.   JOURNAL OF MOLECULAR LIQUIDS

Aloysia citrodora leaves extract corrosion retardation effect on mild-steel in acidic solution: Molecular/atomic scales and electrochemical explorations

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

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

Magnolia grandiflora leaves extract as a novel environmentally friendly inhibitor for Q235 steel corrosion in 1 M HCl: Combining experimental and theoretical researches

(2020) Shujun Chen et al.   JOURNAL OF MOLECULAR LIQUIDS

Plant Extracts as Green Corrosion Inhibitors for Different Metal Surfaces and Corrosive Media: A Review

(2020) Alan Miralrio et al.   Processes

Evaluation of Lavandula mairei extract as green inhibitor for mild steel corrosion in 1 M HCl solution. Experimental and theoretical approach

(2020) A. Berrissoul et al.   JOURNAL OF MOLECULAR LIQUIDS

Corrosion prevention of AISI 304 stainless steel in hydrochloric acid medium using garlic extract as a green corrosion inhibitor: Electrochemical and theoretical studies

(2020) Mohammad Peirow Asfia et al.   JOURNAL OF MOLECULAR LIQUIDS

Acid corrosion inhibition of ferrous and non-ferrous metal by nature friendly Ethoxycarbonylmethyltriphenylphosphonium Bromide (ECMTPB): Experimental and MD simulation evaluation

(2020) Madhusudan Goyal et al.   JOURNAL OF MOLECULAR LIQUIDS

Combined experimental and computational studies on corrosion inhibition of Houttuynia cordata leaf extract for steel in HCl medium

(2020) Le Thanh Thanh et al.   JOURNAL OF MOLECULAR LIQUIDS

COMPASS III: automated fitting workflows and extension to ionic liquids

(2020) Reinier L. C. Akkermans et al.   MOLECULAR SIMULATION

Numerical Simulation of Adsorption of Organic Inhibitors on C-S-H Gel

(2020) Zijian Song et al.   Crystals

Computational and experimental studies on the efficiency of Rosmarinus officinalis polyphenols as green corrosion inhibitors for XC48 steel in acidic medium

(2020) Amina Belakhdar et al.   COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS

Challenges and advantages of using plant extract as inhibitors in modern corrosion inhibition systems: Recent advancements

(2020) Salhah Hamed Alrefaee et al.   JOURNAL OF MOLECULAR LIQUIDS

Triazines as a potential class of corrosion inhibitors: Present scenario, challenges and future perspectives

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

Recent advances in metallic corrosion inhibition: A review

(2020) Shveta Sharma et al.   JOURNAL OF MOLECULAR LIQUIDS

Organic green corrosion inhibitors (OGCIs): a critical review

(2019) Lekan Taofeek Popoola   CORROSION REVIEWS

Potential of Borage flower aqueous extract as an environmentally sustainable corrosion inhibitor for acid corrosion of mild steel: Electrochemical and theoretical studies

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

Solanum lasiocarpum L. Extract as Green Corrosion Inhibitor for A3 Steel in 1 M HCl Solution

(2019) Xia Wang et al.   International Journal of Electrochemical Science

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

A combined experimental and theoretical study of green corrosion inhibition of mild steel in HCl solution by aqueous Citrullus lanatus fruit (CLF) extract

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

Experimental, theoretical modeling and optimization of inhibition efficiency of pigeon pea leaf extract as anti-corrosion agent of mild steel in acid environment

(2019) V.C. Anadebe et al.   MATERIALS CHEMISTRY AND PHYSICS

Novel cost-effective and high-performance green inhibitor based on aqueous Peganum harmala seed extract for mild steel corrosion in HCl solution: Detailed experimental and electronic/atomic level computational explorations

(2019) Ghasem Bahlakeh et al.   JOURNAL OF MOLECULAR LIQUIDS

A detailed atomic level computational and electrochemical exploration of the Juglans regia green fruit shell extract as a sustainable and highly efficient green corrosion inhibitor for mild steel in 3.5 wt% NaCl solution

(2019) Seyyed Arash Haddadi et al.   JOURNAL OF MOLECULAR LIQUIDS

Evaluation of Ficus tikoua leaves extract as an eco-friendly corrosion inhibitor for carbon steel in HCl media

(2019) Qihui Wang et al.   BIOELECTROCHEMISTRY

Application of green molecules from Chicory aqueous extract for steel corrosion mitigation against chloride ions attack; the experimental examinations and electronic/atomic level computational studies

(2019) Zahra Sanaei et al.   JOURNAL OF MOLECULAR LIQUIDS

Electronic/atomic level fundamental theoretical evaluations combined with electrochemical/surface examinations of Tamarindus indiaca aqueous extract as a new green inhibitor for mild steel in acidic solution (HCl 1 M)

(2019) Ali Dehghani et al.   Journal of the Taiwan Institute of Chemical Engineers

Highly effective mild steel corrosion inhibition in 1 M HCl solution by novel green aqueous Mustard seed extract: Experimental, electronic-scale DFT and atomic-scale MC/MD explorations

(2019) Ghasem Bahlakeh et al.   JOURNAL OF MOLECULAR LIQUIDS

Applying detailed molecular/atomic level simulation studies and electrochemical explorations of the green inhibiting molecules adsorption at the interface of the acid solution-steel substrate

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

Green Eucalyptus leaf extract: A potent source of bio-active corrosion inhibitors for mild steel

(2019) Ali Dehghani et al.   BIOELECTROCHEMISTRY

Employing ginger extract as an eco-friendly corrosion inhibitor in cementitious materials

(2019) Wanyi Wang et al.   CONSTRUCTION AND BUILDING MATERIALS

Experimental complemented with microscopic (electronic/atomic)-level modeling explorations of Laurus nobilis extract as green inhibitor for carbon steel in acidic solution

(2019) Ali Dehghani et al.   JOURNAL OF INDUSTRIAL AND ENGINEERING CHEMISTRY

Investigation of corrosion inhibition effect and adsorption activities of Cuscuta reflexa extract for mild steel in 0.5 M H 2 SO 4

(2018) Akhil Saxena et al.   BIOELECTROCHEMISTRY

Evaluation of Ginkgo leaf extract as an eco-friendly corrosion inhibitor of X70 steel in HCl solution

(2018) Yujie Qiang et al.   CORROSION SCIENCE

Boswellia serrata gum as highly efficient and sustainable corrosion inhibitor for low carbon steel in 1 M HCl solution: Experimental and DFT studies

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

Application of Zizyphus Lotuse - pulp of Jujube extract as green and promising corrosion inhibitor for copper in acidic medium

(2018) A. Jmiai et al.   JOURNAL OF MOLECULAR LIQUIDS

Organic corrosion inhibitors for industrial cleaning of ferrous and non-ferrous metals in acidic solutions: A review

(2018) Madhusudan Goyal et al.   JOURNAL OF MOLECULAR LIQUIDS

Use of Saraca ashoka extract as green corrosion inhibitor for mild steel in 0.5 M H 2 SO 4

(2018) Akhil Saxena et al.   JOURNAL OF MOLECULAR LIQUIDS

Glycyrrhiza glabra leaves extract as a green corrosion inhibitor for mild steel in 1 M hydrochloric acid solution: Experimental, molecular dynamics, Monte Carlo and quantum mechanics study

(2018) Eiman Alibakhshi et al.   JOURNAL OF MOLECULAR LIQUIDS

Use of Rosa canina fruit extract as a green corrosion inhibitor for mild steel in 1 M HCl solution: A complementary experimental, molecular dynamics and quantum mechanics investigation

(2018) Zahra Sanaei et al.   JOURNAL OF INDUSTRIAL AND ENGINEERING CHEMISTRY

Corrosion resistance of mild steel in 0.5 M H2SO4 solution by plant extract of Alkana tinctoria: Experimental and theoretical studies

(2018) Rajesh Haldhar et al.   European Physical Journal Plus

Experimental and theoretical investigation of aqueous and methanolic extracts of Prunus dulcis peels as green corrosion inhibitors of mild steel in aggressive chloride media

(2018) Shweta Pal et al.   JOURNAL OF MOLECULAR LIQUIDS

Corrosion inhibition of X65 steel in sulfuric acid by two food flavorants 2-isobutylthiazole and 1-(1,3-Thiazol-2-yl) ethanone as the green environmental corrosion inhibitors: Combination of experimental and theoretical researches

(2018) Bochuan Tan et al.   JOURNAL OF COLLOID AND INTERFACE SCIENCE

Persian Liquorice extract as a highly efficient sustainable corrosion inhibitor for mild steel in sodium chloride solution

(2018) E. Alibakhshi et al.   JOURNAL OF CLEANER PRODUCTION

Longan seed and peel as environmentally friendly corrosion inhibitor for mild steel in acid solution: Experimental and theoretical studies

(2017) Liu Li Liao et al.   JOURNAL OF COLLOID AND INTERFACE SCIENCE

Evaluation of Thymus vulgaris plant extract as an eco-friendly corrosion inhibitor for stainless steel 304 in acidic solution by means of electrochemical impedance spectroscopy, electrochemical noise analysis and density functional theory

(2017) A. Ehsani et al.   JOURNAL OF COLLOID AND INTERFACE SCIENCE

Experimental and theoretical studies of the synergistic inhibition effects between the plant leaves extract (PLE) and zinc salt (ZS) in corrosion control of carbon steel in chloride solution

(2017) Ghasem Bahlakeh et al.   JOURNAL OF MOLECULAR LIQUIDS

Electrochemical measurements and theoretical calculations on the inhibitive interaction of Plectranthus amboinicus leaf extract with mild steel in hydrochloric acid

(2017) K.K. Anupama et al.   MEASUREMENT

Inhibition effect of bamboo leaves extract on cold rolled steel in Cl 3 CCOOH solution

(2017) Xianghong Li et al.   Journal of Materials Research and Technology-JMR&T

Ethanolic extraction of flavonoids, phenolics and antioxidants from Vernonia amygdalina leaf using two-level factorial design

(2017) O.R. Alara et al.   JOURNAL OF KING SAUD UNIVERSITY SCIENCE

Electrochemical and computational aspects of surface interaction and corrosion inhibition of mild steel in hydrochloric acid by Phyllanthus amarus leaf extract (PAE)

(2016) K.K. Anupama et al.   JOURNAL OF MOLECULAR LIQUIDS

Isotherm, kinetic and thermodynamic characteristics of adsorption of paclitaxel onto Diaion HP-20

(2016) Hong Sik Shin et al.   PROCESS BIOCHEMISTRY

Composition, silicate anion structure and morphology of calcium silicate hydrates (C-S-H) synthesised by silica-lime reaction and by controlled hydration of tricalcium silicate (C3S)

(2015) E. Tajuelo Rodriguez et al.   Advances in Applied Ceramics

Morphology of calcium silicate hydrate (C-S-H) gel: a molecular dynamic study

(2015) Dongshuai Hou et al.   ADVANCES IN CEMENT RESEARCH

Density functional theory (DFT) as a powerful tool for designing new organic corrosion inhibitors. Part 1: An overview

(2015) I.B. Obot et al.   CORROSION SCIENCE

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

Mechanical properties of calcium silicate hydrate (C–S–H) at nano-scale: A molecular dynamics study

(2014) Dongshuai Hou et al.   MATERIALS CHEMISTRY AND PHYSICS

Molecular dynamics study of water and ions transport in nano-pore of layered structure: A case study of tobermorite

(2014) Dongshuai Hou et al.   MICROPOROUS AND MESOPOROUS MATERIALS

Study to find the best extraction solvent for use with guava leaves (Psidium guajavaL.) for high antioxidant efficacy

(2014) Jongkwon Seo et al.   Food Science & Nutrition

Antioxidant potential of aqueous extract of some food grain powder in meat model system

(2012) K. Yogesh et al.   JOURNAL OF FOOD SCIENCE AND TECHNOLOGY-MYSORE

Separation of polyphenols using porous polyamide resin and assessment of mechanism of retention

(2011) Min Gao et al.   JOURNAL OF SEPARATION SCIENCE

Corrosion control of copper in nitric acid solutions using some amino acids – A combined experimental and theoretical study

(2010) K.F. Khaled   CORROSION SCIENCE

Adsorption and corrosion-inhibiting effect of Dacryodis edulis extract on low-carbon-steel corrosion in acidic media

(2010) E.E. Oguzie et al.   JOURNAL OF COLLOID AND INTERFACE SCIENCE

Plant Phenolics: Extraction, Analysis and Their Antioxidant and Anticancer Properties

(2010) Jin Dai et al.   MOLECULES

Determination of lignans in flaxseed using liquid chromatography with time-of-flight mass spectrometry

(2008) I.E. Popova et al.   JOURNAL OF CHROMATOGRAPHY A

Methyl chanofruticosinate alkaloids from Kopsia arborea

(2007) Kuan-Hon Lim et al.   PHYTOCHEMISTRY