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1.
Phys Chem Chem Phys ; 26(15): 11217-11242, 2024 Apr 17.
Article in English | MEDLINE | ID: mdl-38587831

ABSTRACT

The use of cellulose-based compounds in coating and aqueous phase corrosion prevention is becoming more popular because they provide excellent protection and satisfy the requirements of green chemistry and sustainable development. Cellulose derivatives, primarily carboxymethyl cellulose (CMC) and hydroxyethyl cellulose (HEC), are widely employed in corrosion prevention. They function as efficient inhibitors by adhering to the metal's surface and creating a corrosion-inhibitive barrier by binding using their -OH groups. Their inhibition efficiency (%IE) depends upon various factors, including their concentration, temperature, chemical composition, the nature of the metal/electrolyte and availability of synergists (X-, Zn2+, surfactants and polymers). Cellulose derivatives also possess potential applications in anticorrosive coatings as they prevent corrosive species from penetrating and encourage adhesion and cohesion, guaranteeing the metal substrate underneath long-term protection. The current review article outlines the developments made in the past and present to prevent corrosion in both the coating phase and solution by using cellulose derivatives. Together with examining the difficulties of the present and the prospects for the future, the corrosion inhibition mechanism of cellulose derivatives in the solution and coating phases has also been investigated.

2.
Adv Colloid Interface Sci ; 324: 103091, 2024 Feb.
Article in English | MEDLINE | ID: mdl-38281394

ABSTRACT

The primary requirements for interfacial adsorption and corrosion inhibition are solubility and the existence of polar functional groups, particularly charges. Traditional organic inhibitors have a solubility issue due to the hydrophobic moieties they incorporate. Most documented organic inhibitors have aromatic rings, hydrocarbon chains, and a few functional groups. The excellent solubility and high efficacy of zwitterions and betaines make them the perfect replacements for insoluble corrosion inhibitors. Zwitterions and betaines are more easily soluble because of interactions between their positive and negative charges (-COO-, -PO3-, -NH3, -NHR2, -NH2R, -SO3- etc.) and the polar solvents. The positive and negative charges also aid these molecules' physical and chemical adsorption at the metal-electrolyte interfaces. They develop a corrosion-inhibiting layer through their adsorption. After becoming adsorbed at the metal-electrolyte interface, they act as mixed-type inhibitors, slowing both cathodic and anodic processes. They usually adsorb according to the Langmuir adsorption isotherm. In this article, the corrosion inhibition potential of zwitterions and betaines in the aqueous phase, as well as their mode of action, are reviewed. This article details the advantages and disadvantages of utilizing zwitterions and betaines for sustainable corrosion protection.

3.
Adv Colloid Interface Sci ; 318: 102966, 2023 Aug.
Article in English | MEDLINE | ID: mdl-37536175

ABSTRACT

Surfactants are well known for their colloidal and corrosion inhibition potential (CIP) due to their strong propensity to interact with metallic surfaces. However, because of their small molecular size and the fact that they are only effective at relatively high concentrations, their application in aqueous phase corrosion inhibition is often restricted. Polymeric surfactants, a unique class of corrosion inhibitors, hold the potential to eradicate the challenges associated with using surfactants in corrosion inhibition. They strongly bond with the metallic surface and offer superior CIP because of their macromolecular polymeric structure and abundance of polar functional groups. In contrast to conventional polymeric corrosion inhibitors, the inclusion of polar functional groups also aids in their solubilization in the majority of popular industry-based electrolytes. Some of the major functional groups present in polymeric surfactants used in corrosion mitigation include O (ether), glycidyl (cyclic ether), -CONH2 (amide), -COOR (ester), -SO3H (sulfonic acid), -COOH (carboxyl), -NH2 (amino), - + NR3/- + NHR2/- + NH2R/- + NH3 (quaternary ammonium), -OH (hydroxyl), -CH2OH (hydroxymethyl), etc. The current viewpoint offers state-of-the-art information on polymer surfactants as newly developing ideal alternatives for conventional corrosion inhibitors. The industrial scale-up, colloidal, coordination, adsorption properties, and structural requirements of polymer surfactants have also been established based on the knowledge obtained from the literature. Finally, the challenges, drawbacks, and potential benefits of using polymer surfactants have also been discussed.

4.
Carbohydr Polym ; 314: 120936, 2023 Aug 15.
Article in English | MEDLINE | ID: mdl-37173012

ABSTRACT

Recently, the development and consumption of metal/metal oxide carbohydrate polymer nanocomposites (M/MOCPNs) are withdrawing significant attention because of their numerous salient features. Metal/metal oxide carbohydrate polymer nanocomposites are being used as environmentally friendly alternatives for traditional metal/metal oxide carbohydrate polymer nanocomposites exhibit variable properties that make them excellent prospects for a variety of biological and industrial uses. In metal/metal oxide carbohydrate polymer nanocomposites, carbohydrate polymers bind with metallic atoms and ions using coordination bonding in which heteroatoms of polar functional groups behave as adsorption centers. Metal/metal oxide carbohydrate polymer nanocomposites are widely used in woundhealing, additional biological uses and drug delivery, heavy ions removal or metal decontamination, and dye removal. The present review article features the collection of some major biological and industrial applications of metal/metal oxide carbohydrate polymer nanocomposites. The binding affinity of carbohydrate polymers with metal atoms and ions in metal/metal oxide carbohydrate polymer nanocomposites has also been described.


Subject(s)
Nanocomposites , Polymers , Polymers/chemistry , Oxides , Metals , Nanocomposites/chemistry , Ions
5.
Adv Colloid Interface Sci ; 314: 102868, 2023 Apr.
Article in English | MEDLINE | ID: mdl-37002958

ABSTRACT

The progress and use of effective and economic anticorrosive resources are in high mandate due to huge safety and economic concerns about corrosion. Significant advancements have already been achieved that help in minimizing corrosion costs up to US $375 to US $875 billion annually. The use of zeolites in anticorrosive and self-healing coatings is well-studied and documented in many reports. The self-healing property of zeolite-based coatings is attributed to their ability to provide anticorrosive protection in the defected areas through forming protective oxide films i.e. passivation. The synthesis of zeolites from the traditional hydrothermal method is associated with several drawbacks including their high cost and discharge of harmful gases such as oxides of nitrogen (NOx) and greenhouse gases (CO2 and CO). In view of this, some green approaches such as solvent-free, organotemplate-free, use of safer organic templates, green solvents (e.g. ILs) and energy efficient (MW and US) heating, one-step reactions (OSRs) etc. are adopted in the green synthesis of zeolites. Recently, the self-healing properties of greenly synthesized zeolites are documented along with their mechanism of corrosion inhibition.

6.
Int J Biol Macromol ; 235: 123571, 2023 Apr 30.
Article in English | MEDLINE | ID: mdl-36750168

ABSTRACT

Carbohydrate polymers (polysaccharides) and their derivatives are widely utilized in sustainable corrosion inhibition (SCI) because of their various fascinating properties including multiple adsorption sites, high solubility and high efficiency. Contrary to traditional synthetic polymer-based corrosion inhibitors, polysaccharides are related to the 4E dimension, which stands for Energy, Economy, Ecology, and Effectivity. Furthermore, they are relatively more environmentally benign, biodegradable, and non-bioaccumulative. The current review describes the SCI features of various heteropolysaccharides, including gum Arabic (GA), glycosaminoglycans (chondroitin-4-sulfate (CS), hyaluronic acid (HA), heparin, etc.), pectin, alginates, and agar for the first time. They demonstrate impressive anticorrosive activity for different metals and alloys in a variety of corrosive electrolytes. Through their adsorption at the metal/electrolyte interface, heteropolysaccharides function by producing a corrosion-protective film. In general, their adsorption follows the Langmuir isotherm model. In their molecular structures, heteropolysaccharides contain several polar functional groups like -OH, -NH2, -COCH3, -CH2OH, cyclic and bridging O, -CH2SO3H, -SO3OH, -COOH, -NHCOCH3, -OHOR, etc. that serve as adsorption centers when they bind to metallic surfaces.


Subject(s)
Alloys , Metals , Corrosion , Alloys/chemistry , Metals/chemistry , Polysaccharides , Polymers/chemistry , Pectins
7.
Molecules ; 28(4)2023 Feb 07.
Article in English | MEDLINE | ID: mdl-36838570

ABSTRACT

Recent studies indicate that surfactants are a relatively new and effective class of corrosion inhibitors that almost entirely meet the criteria for a chemical to be used as an aqueous phase corrosion inhibitor. They possess the ideal hydrophilicity to hydrophobicity ratio, which is crucial for effective interfacial interactions. In this study, a coconut-based non-ionic surfactant, namely, coco monoethanolamide (CMEA), was investigated for corrosion inhibition behaviour against mild steel (MS) in 1 M HCl employing the experimental and computational techniques. The surface morphology was studied employing the scanning electron microscope (SEM), atomic force microscope (AFM), and contact measurements. The critical micelle concentration (CMC) was evaluated to be 0.556 mM and the surface tension corresponding to the CMC was 65.28 mN/m. CMEA manifests the best inhibition efficiency (η%) of 99.01% at 0.6163 mM (at 60 °C). CMEA performs as a mixed-type inhibitor and its adsorption at the MS/1 M HCl interface followed the Langmuir isotherm. The theoretical findings from density functional theory (DFT), Monte Carlo (MC), and molecular dynamics (MD) simulations accorded with the experimental findings. The MC simulation's assessment of CMEA's high adsorption energy (-185 Kcal/mol) proved that the CMEA efficiently and spontaneously adsorbs at the interface.


Subject(s)
Pulmonary Surfactants , Surface-Active Agents , Cocos , Steel/chemistry , Corrosion
9.
Adv Colloid Interface Sci ; 311: 102832, 2023 Jan.
Article in English | MEDLINE | ID: mdl-36603299

ABSTRACT

The most effective corrosion inhibitors are organic compounds, especially heterocyclic ones with a certain balance of hydrophilicity, hydrophobicity, and conjugation. Most dyes develop the critical characteristics of a substance that can be utilized as an effective corrosion inhibitor. These include the presence of polar functional groups, nonbonding electrons and multiple bonds of the aromatic ring(s) and side chains. In aqueous electrolytes, dyes efficiently bind to metal surfaces through their electron-rich spots, known as adsorption centers. Literature studies show that many dye series have excellent anticorrosive properties for many metal/electrolyte combinations. They contain many electron-donating sites and behave as polydentate and chelating ligands. The polar functional for instance -OH, -CONH2, -NH2, -OR, -SO3H, -COOH, -NMe2, -N=N-, -CHO, -N=C < etc. also help in solubilizing relatively complex dye molecules in aqueous electrolytes. This review work seeks to explain the interfacial adsorption of dye molecules and how that negatively affects metallic corrosion. Through their adsorption, dye molecules block the active sites. They mainly achieved this by employing the Langmuir isotherm model. Additionally, the mechanism of corrosion inhibition is investigated, with a special emphasis on dyes.

10.
Adv Colloid Interface Sci ; 311: 102822, 2023 Jan.
Article in English | MEDLINE | ID: mdl-36442322

ABSTRACT

Surfactants enjoy an augmented share of hydrophilicity and hydrophobicity and are well-known for their anticorrosive potential. The use of non-toxic surfactants is gaining growing interest because of the scaling demands of green chemistry. Green surfactants have successfully replaced traditional toxic surfactant-based corrosion inhibitors. Recently, many reports described the corrosion inhibition potential of green surfactants. The present article aims to describe the recent advancements in using green surfactants in corrosion mitigation. They create a charge transfer barrier through their adsorption at the interface of the metal and the environment. Their adsorption is well explained by the Langmuir adsorption isotherm. In the adsorbed layer, their hydrophilic polar heads orient toward the metal side and their hydrophobic tails orient toward the solution side. They block the active sites and retard the anodic and cathodic and act as mixed-type inhibitors. Their adsorption and bonding nature are fruitfully supported by surface analyses. They can form mono- or multilayers depending upon the nature of the metal, electrolyte and experimental conditions. The challenges and opportunities of using green surfactants as corrosion inhibitors have also been described.


Subject(s)
Pulmonary Surfactants , Surface-Active Agents , Surface-Active Agents/chemistry , Corrosion , Hydrophobic and Hydrophilic Interactions , Adsorption
11.
Adv Colloid Interface Sci ; 306: 102723, 2022 Aug.
Article in English | MEDLINE | ID: mdl-35816779

ABSTRACT

Organic compounds have been recognized as one of the utmost operative corrosion protective measures. However, their usage and synthesis are allied with the consumption and release of malignant materials. More so, out of various manufactured and settled compounds, only a few are effective. Therefore, the high mandate is to design and formulate effective compounds based on literature outcomes. Literature outcomes suggest that surfactant molecules having alkyl substituent of neither too small nor too large act as effective aqueous phase corrosion inhibitors. The present review describes the effect of alkyl/hydrocarbon chain length on the corrosion inhibition potential of some series of surfactant molecules. Generally, an increase in the alkyl chain length favors inhibition performance due to enhancing the packing of surfactant molecules at the interface of metal and electrolyte, but a very high level of hydrophobicity disfavors the inhibition performance. Hydrophilicity and hydrophobicity can be suitably tailored by varying the number and size of the hydrocarbon chain. Organic compounds containing the hydrocarbon chain length of C12-C16 exhibit the best inhibition efficiency (%IE). The molecules become effective by adsorbing on the metal surface. They behave as mixed- and interface-type corrosion inhibitors.


Subject(s)
Pulmonary Surfactants , Surface-Active Agents , Corrosion , Hydrocarbons , Hydrophobic and Hydrophilic Interactions
12.
Phys Chem Chem Phys ; 23(36): 19987-20027, 2021 Sep 22.
Article in English | MEDLINE | ID: mdl-34254097

ABSTRACT

Molecular modelling of organic compounds using computational software has emerged as a powerful approach for theoretical determination of the corrosion inhibition potential of organic compounds. Some of the common techniques involved in the theoretical studies of corrosion inhibition potential and mechanisms include density functional theory (DFT), molecular dynamics (MD) and Monte Carlo (MC) simulations, and artificial neural network (ANN) and quantitative structure-activity relationship (QSAR) modeling. Using computational modelling, the chemical reactivity and corrosion inhibition activities of organic compounds can be explained. The modelling can be regarded as a time-saving and eco-friendly approach for screening organic compounds for corrosion inhibition potential before their wet laboratory synthesis would be carried out. Another advantage of computational modelling is that molecular sites responsible for interactions with metallic surfaces (active sites or adsorption sites) and the orientation of organic compounds can be easily predicted. Using different theoretical descriptors/parameters, the inhibition effectiveness and nature of the metal-inhibitor interactions can also be predicted. The present review article is a collection of major advancements in the field of computational modelling for the design and testing of the corrosion inhibition effectiveness of organic corrosion inhibitors.

13.
Int J Biol Macromol ; 184: 118-134, 2021 Aug 01.
Article in English | MEDLINE | ID: mdl-34119540

ABSTRACT

Gum Arabic (GA) is a plant exudate, consisting of glycoproteins (proteins with carbohydrate co-factor or prosthetic group) and polysaccharides mainly consisting of galactose and arabinose. Because of its polymeric nature and tendency to dissolve in water, GA is widely used as anticorrosive materials, especially in the aqueous electrolytes. GA contains various electron rich polar sites through which they easily get adsorbed on metallic surface and behaves as effective anticorrosive materials. Because of its natural and biological origin, GA is regarded as one of the environmental sustainable and edible alternatives to traditional toxic corrosion inhibitors. Present review piece of writing aims to illustrate the assortment of literatures on gum Arabic as a corrosion inhibitor. Limitation of traditional organic corrosion inhibitors and advantages of using GA as an environmental sustainable alternative have also been described along with the mechanism of corrosion inhibition.


Subject(s)
Gum Arabic/pharmacology , Metals/chemistry , Corrosion , Gum Arabic/chemistry , Molecular Structure , Surface Properties
14.
Int J Biol Macromol ; 184: 135-143, 2021 Aug 01.
Article in English | MEDLINE | ID: mdl-34119548

ABSTRACT

Chemically, chitosan is a linear polysaccharide constituted of arbitrarily distributed D-glucosamine and N-acetyl-D-glucosamine constituents combined together via ß-1,4-glycosidic linkage. Because of increasing ecological awareness and strict environmental regulations, species of natural and biological origin such as chitosan can be identified as ideal environmental sustainable alternative to replace traditional heterocyclic (toxic) corrosion inhibitors. Although, chitosan contains numerous electron rich sites however chitosan itself is not highly effective aqueous phase corrosion inhibitors. Aqueous phase application of chitosan is limited because of its limited solubility. However, chemically modified chitosan derivatives, such as chitosan based Schiff bases (CSBs) exhibit remarkable solubility in such electrolytes. Therefore, recently various reports dealing with the anticorrosion potential of CSBs have been reported. Present review article describes the collections on CSBs as aqueous phase corrosion inhibitors. Nature of CSBs adsorption through chelation (coordination) has also been discussed based on literature outcomes.


Subject(s)
Chitosan/chemistry , Schiff Bases/pharmacology , Corrosion , Drug Design , Schiff Bases/chemistry , Solubility , Surface Properties
15.
RSC Adv ; 11(4): 2462-2475, 2021 Jan 06.
Article in English | MEDLINE | ID: mdl-35424174

ABSTRACT

Three novel N-hydrospiro-chromeno-carbonitriles namely, 2-amino-7,7-dimethyl-1',3',5-trioxo-1',3',5,6,7,8-hexahydrospiro[chromene-4,2'-indene]-3-carbonitrile (INH-1), 3-amino-7,7-dimethyl-2',5-dioxo-5,6,7,8-tetrahydrospiro[chromene-4,3'-indoline]-2-carbonitrile (INH-2) and 3'-amino-7',7'-dimethyl-2,5'-dioxo-5',6',7',8'-tetrahydro-2H-spiro[acenaphthylene-1,4'-chromene]-2'-carbonitrile (INH-3) were synthesized using the principles of green chemistry and applied as corrosion inhibitors for mild steel in acidic medium using computational simulations and experimental methods. Experimental and computational studies revealed that inhibition effectiveness of the INHs followed the sequence: INH-3 (95.32%) > INH-2 (93.02%) > INH-1 (89.16%). The investigated compounds exhibit mixed-type corrosion inhibition characteristics by blocking the active sites on the surface of mild steel. EIS study revealed that the INHs behave as interface-type corrosion inhibitors. EDX analyses supported the adsorption mechanism of corrosion inhibition. A DFT study carried out for gaseous and aqueous forms of inhibitor molecules indicated that interactions of INHs with the mild steel surface involve charge transfer phenomenon or donor-acceptor interactions. A Monte Carlo (MC) simulation study revealed that only a fractional segment of the molecule lies parallel to the steel surface, since the INH molecules are not completely planar. The results of computational studies and experimental analyses were in good agreement.

16.
J Colloid Interface Sci ; 576: 330-344, 2020 Sep 15.
Article in English | MEDLINE | ID: mdl-32460098

ABSTRACT

Two new 7-N,N'-dialkylaminomethyl-8-Hydroxyquinolines, namely 7-N,N'-dipropylaminomethyl-8-Hydroxyquinoline (DPQ) and 7-N,N'-dimethylaminomethyl-8-Hydroxyquinoline (DMQ), were synthesized and characterized using 1H/13C NMR and Elemental analysis methods. Corrosion inhibition effect of DMP and DPQ for C40E steel in 1 M HCl was evaluated at different concentrations (10-3 to 10-6M) and temperatures (298 to 328 K) using several experimental and computational approaches. Weight loss and electrochemical studies showed that protection efficiencies (ηmax) of DPQ and DMQ increase with increase in concentrations. The DPQ and DMQ showed maximum efficiencies of 96.1% and 94.4%, respectivelyat 10-3 M. Polarization measurements showed that DMQ and DPQ act as mixed type corrosion inhibitors. Adsorption of DPQ and DMQ on C40E steel in 1 M HCl obeyed the Langmuir adsorption isotherm. Variation in surface morphology of corroded metallic surface with and without DMQ and DPQ was demonstrated using scanning electron microscopy. Molecular dynamics (MD) simulations studies showed that DPQ and DMQ acquire the flat or horizontal orientation over the C40E steel. DFT analyses revealed that both DPQ and DMQ interact with the C40E steelusing electron-sharing(donor-acceptor)mechanism. Computational analyses conducted using DFT and MD simulations well corroborate the experimental results.

17.
Int J Biol Macromol ; 155: 645-655, 2020 Jul 15.
Article in English | MEDLINE | ID: mdl-32224172

ABSTRACT

The present study reports the synthesis, characterization and corrosion inhibition effects of chitosan (CH) and its 5-chloromethyl-8-hydroxyquinoline derivative (CH-HQ) for mild steel in acidic medium. The synthesized CH-HQ was characterized using 1H NMR and FT-IR spectroscopic methods. Corrosion inhibition efficiencies of CH and CH-HQ were measured using electrochemical and chemical techniques. The surface protection ability of the inhibitor molecules was also ascertained by surface analysis, while computational study was used to further justify the adsorption tendencies of the molecules on mild steel surface. CH-HQwasobserved to exhibit better protection efficiency than CH, as the highest inhibition efficiencies were recorded to be 78% and 93% for CH and CH-HQ, respectively. Potentiodynamic polarization studies revealed that CH and CH-HQ are mixed-type corrosion inhibitors over the studied temperature range (298 K ± 1 to 328 K ± 1). SEM-EDS studies were performed to demonstrate the adsorption of CH and CH-HQ on the mild steel surface. Adsorption behavior of the CH and CH-HQ was also supported by UV-visible (UV-vis) spectrophotometric analyses. Monte Carlo simulations (MC) and density functional theory (DFT) calculations were carried out to corroborate the experimental results.


Subject(s)
Carbohydrates/chemistry , Chitosan/chemistry , Monte Carlo Method , Oxyquinoline/chemistry , Polymers/chemistry , Quantum Theory , Steel/chemistry , Corrosion , Dielectric Spectroscopy , Surface Properties
18.
ACS Omega ; 5(7): 3151-3164, 2020 Feb 25.
Article in English | MEDLINE | ID: mdl-32118131

ABSTRACT

Herein, two bifunctional macromolecular aromatic epoxy resins (ERs), namely, 4,4'-isopropylidenediphenol oxirane (ERH) and 4,4'-isopropylidene tetrabromodiphenol oxirane (ERBr), are synthesized, characterized, and evaluated as anticorrosive materials for carbon steel corrosion in acidic medium. ERs were characterized using proton nuclear magnetic resonance (1H NMR) and Fourier transform infrared spectroscopy techniques. Investigated ERs acted as effective corrosion inhibitors, and their inhibition effectiveness followed the order ERBr (96.5%) > ERH (95.6%). Potentiodynamic polarization results showed that ERH and ERBr behave as predominantly anodic type and the cathodic type of corrosion inhibitors, respectively. Adsorption of both the studied ERH and ERBr molecules obeyed the Langmuir adsorption isotherm model. Density functional theory and molecular dynamics studies showed that protonated forms of ERH and ERBr contribute more to metal (carbon steel)-inhibitor (ERH/ERBr) interactions than their neutral forms.

19.
Sci Rep ; 9(1): 11715, 2019 Aug 12.
Article in English | MEDLINE | ID: mdl-31406200

ABSTRACT

Present study is designed for the synthesis, characterization and corrosion inhibition behavior of two diamine aromatic epoxy pre-polymers (DAEPs) namely, N1,N1,N2,N2-tetrakis (oxiran-2-ylmethyl) benzene-1,2-diamine (DAEP1) and 4-methyl-N1,N1,N2,N2-tetrakis (oxiran-2-ylmethyl) benzene-1,2-diamine (DAEP2) for carbon steel corrosion in acidic medium. Synthesized DAEPs were characterized using spectral (Nuclear magnetic resonance (1H NMR) and Fourier transform infrared-attenuated total reflection (FTIR-ATR)) techniques. Viscosity studies carried out at four different temperatures (20-80 °C) increase in temperature causes significant reduction in their viscosities. The anticorrosive properties of DAEPs differing in the nature of substituents, for carbon steel corrosion in 1 M HCl solution was evaluated using several experimental and computational techniques. Both experimental and computational studies showed that inhibitor (DAEP2) that contains electron releasing methyl (-CH3) showed higher protectiveness as compared to the inhibitor (DAEP1) without substituent (-H). Electrochemical results demonstrate that DAEPs act as reasonably good inhibitors for carbon steel in 1 M HCl medium and their effectiveness followed the sequence: DAEP2 (92.9%) > DAEP1 (91.7%). The PDP results show that the diamine aromatic epoxy pre-polymers molecules (DAEPs) act as mixed type inhibitors. Electrochemical study was also supported using scanning electron microscopy (SEM) method were significant improvement in the surface morphology of inhibited (by DAEPs) metallic specimens was obtained. Results derived from computational density functional theory (DFT) and molecular dynamics (MD) simulationsand studies were consistent with the experimental results derived from SEM, EIS and PDP electrochemical studies. Adsorption of the DAEPs obeyed the Langmuir adsorption isotherm model.

20.
Heliyon ; 5(3): e01340, 2019 Mar.
Article in English | MEDLINE | ID: mdl-30923769

ABSTRACT

The corrosion inhibition performance of Hexa (3-methoxy propan-1,2 diol) cyclotriphosphazene (HMC) on carbon steel in 3% NaCl solution was investigated by weight loss (WL), potentiodynamic polarization (PDP), electrochemical impedance spectroscopy (EIS) measurements, Density functional theory (DFT) and Monte Carlo (MC) simulation. The corrosion inhibition efficiency at optimum concentration (10-3M) is 99% of HMC at 298 K. The corrosion inhibition efficiency at 10-3 M decreases with increase in temperature. The adsorption of HMC on the surface of carbon steel obeyed Langmuir isotherm. Potentiodynamic polarization study confirmed that inhibitor anodic-type. DFT and Monte Carlo (MC) simulations based computational approaches were under taken to support the experimental findings. DFT studies revealed that HMC interact with metallic surface through donor-acceptor interactions in which the anionic parts act as electron donor (HOMO) and cationic parts behaved as electron acceptor (LUMO). The MC simulations study showed that studied HMC adsorb spontaneously on Fe (110) surface.

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