Mild Steel In Acidic Environment Research Articles

Enhanced Corrosion Resistance of Mild Steel in Acidic Media Using PVA‐Chitosan‐Dopamine Composite Coatings

AbstractIn this study, corrosion control of mild steel in acidic media was conducted in the presence of polyvinyl alcohol (PVA)‐chitosan and PVA‐chitosan‐dopamine composite coatings. Weight loss, polarization, and electrochemical impedance spectroscopy (EIS) studies were conducted to study the protective mechanisms and performance of PVA‐chitosan coatings. The results showed a substantial reduction in weight loss, corrosion rates, and corrosion current densities for coated specimens indicating the effectiveness of the composite coatings. PVA‐chitosan and PVA‐chitosan‐dopamine coatings showed high inhibition efficiencies (IE) up to 90.65 % and 96.01 % respectively. The electrochemical findings were supported using surface characterization techniques such as SEM to obtain a complete understanding of the coatings’ morphology and composition. The topographical analysis confirmed that dopamine significantly influenced the surface morphology and behavior of the nanocomposite. The FTIR spectrum of composite B, which combined PVA and chitosan, exhibited notable changes, including a decrease in both the intensity and frequency of the OH band. The potential of PVA‐chitosan‐dopamine coatings as effective corrosion inhibitors for mild steel in acidic environments offered practical solutions for diverse industrial applications.

Assessment of the Inhibitory Efficacy of a Thiazole Derivative as an Efficient Corrosion Inhibitor for Augmenting the Resistance of MS in Acidic Environments.

Numerous thiazole compounds have been developed as cutting-edge inhibitors because of a rising fascination with using corrosion inhibitors (CIs) and preventative measures to prevent mild steel (MS) from deteriorating. In this study, the ability of a novel thiazole derivative, 2-hydrazono-3-methyl-2,3-dihydrobenzo[d]thiazole hydrochloride (HMDBT), to prevent corrosion of MS (MS) in HCl has been reconnoitered using various approaches, Viz. gravimetric analysis, electrochemical (EC) analysis, and different surface characterizations. With an inhibition efficiency (IE %) of 95.35%, the outcomes elucidate that HMDBT functions as a potent MS CI that is environmentally friendly and sustainable. The computed activation and thermodynamic factors were also employed to better explain the process underpinning the inhibiting tendency of HMDBT. According to the computed values, the HMDBT molecules physically and chemically adhered to the MS surface following the Langmuir model, generating a dense protective layer that may be associated with the presence of a benzene ring and heteroatoms (S & N) in the HMDBT architecture. Based on the findings of the EIS studies, an intensification in the CI's concentration from (50 →800) ppm is ushered by increases in polarization resistance (Rp) from (80.72, 354.31) Ω cm2, and attenuation in double-layer capacitance (Cdl) from (198.78 → 44.13) μF cm-2, respectively, confirming the inhibitory proficiency of HMDBT. The IE of the inhibitor was reported around 95.35% by weight loss measurement and 89.94% through EC measurement. Theoretical analysis including density functional theory (DFT) and molecular dynamics (MD) simulations were carried out to investigate the additional effects of HMDBT on the anticorrosion effectiveness and mechanism of inhibition. The theoretical parameters that were calculated provided important assistance in comprehending the inhibitory mechanism that the CI's moieties disclosed and are in strong concord with experimental methods. To create a "green" inhibitor system, the work presented here provided a potent technique to reduce corrosion by adding a potent new inhibitor.

Investigating the efficacy of phenolic Schiff bases as corrosion inhibitors for mild steel in acidic environments: Integrating experimental and theoretical approaches (Part B)

Our research employs a holistic methodology to assess the efficacy of a series of phenolic Schiff bases as corrosion inhibitors for mild steel in a 1 M HCl solution. Through complementary studies, we aim to unravel the corrosion inhibition mechanism by investigating neutral, protonated, and complex forms of inhibitors using advanced computational and statistical methods. This initial investigation specifically involves evaluating the effectiveness of two phenolic Schiff bases through weight loss tests (WL) and electrochemical techniques. The study focuses on the corrosion inhibitory properties of two phenolic Schiff bases, namely 4,4′-((1E,1′E)-(ethane-1,2-diylbis(azaneylylidene))bis(methaneylylidene))diphenol (PSB7) and (1E,1′E)-N,N'-(ethane-1,2-diyl)bis(1-(4-nitrophenyl)methanimine) (PSB8), on mild steel (MS). Results from weight loss and electrochemical methods indicate that inhibition efficiency improves with decreasing temperature and increasing inhibitor concentration, reaching 94 % (for PSB7) and 93 % (for PSB8) at 303 K and 1 × 10−3 M, respectively. Consequently, both PSB7 and PSB8 function effectively as inhibitors in a mixed form. The adherence of both inhibitors to the surface follows the Langmuir adsorption isotherm model. Additionally, SEM and EDS experiments provide evidence of adsorption on the surface. The findings from Density Functional Theory (DFT) and Molecular Dynamic Simulations (MDS) consistently match the actual data, maintaining the order of inhibition efficiency (PSB7 > PSB8).

Facile synthesis, corrosion inhibition, adsorption and DFT studies of 2-(4-(methylsulfanyl) phenyl) −4, 5-diphenyl-1H-imidazole for mild steel in acidic environment

A green, solvent-free, cost effective one-pot synthesis method is employed to produce the innovative corrosion-inhibiting compound 2-(4-(methylsulfanyl)phenyl)-4,5-diphenyl-1H-imidazole (MDPI). The molecular structure of MDPI can be identified using CHN analyses, FT-IR, 1H and 13C NMR spectra. Various electrochemical and gravimetric techniques are utilized to evaluate the anti-corrosion properties of MDPI. The results indicate that MDPI effectively inhibits the corrosion of mild steel under all tested conditions. At 306 K, MDPI achieved a maximum corrosion inhibition efficiency of 98.01 % at a concentration of 10 mM. MDPI exhibited strong adsorption and excellent anti-corrosion properties, forming a protective layer on the mild steel surface. The Langmuir adsorption isotherm, with a ΔGoads value of −39.55 kJ/M was found to be more suitable for this study, indicating that the process occurred by physisorption. Tafel curves indicated that MDPI functions as a mixed-type corrosion inhibitor. Surface characteristics were analyzed using scanning electron microscopy (SEM), energy dispersive X-ray spectroscopy (EDS), and atomic force microscopy (AFM). Quantum chemistry studies revealed a HOMO-LUMO energy gap of 3.926 eV, corroborating the anti-corrosion effectiveness of MDPI in hydrochloric acid solution. MDPI exhibited promising anti-corrosion activity due to its heterocyclic ring containing nitrogen heteroatoms as well as a methylsulfanyl functional group.

Investigation of Garcinia kola Exudates as Corrosion Inhibitor for Mild Steel in Acidic Environment

This study investigated the performance of Garcinia kola exudates in preventing mild steel exposed to acid concentrated water and soil. The study was performed in order to find an alternative coating substance that can reduce the corrosion of mild steel pipes exposed to corrosive water and soil media. Various mild steel specimens were cut into portions and coated with the exudates at 25 - 50µm thickness. To accelerate the rate of corrosion, 0.5M hydrochloric acid (HCl) was added to tap water in a container. Also, the same concentration of HCl was equally added to soil samples. Uncoated mild steel specimens were immersed in the acid concentrated water and soil, servicing as control sample. The rate of corrosion was monitored for 30 days (720 hours). The inhibition efficiency of the exudates for both corrosive media was compared. Results showed that the weight loss and corrosion rate of mild steel decreased with increase in coating thickness. Comparatively, weight loss and corrosion rate in the uncoated specimens were higher than the coated specimens. For uncoated specimens, the corrosion rate was 0.2793mm/yr and 0.4150mm/yr for specimen immersed in water and soil respectively, but at 25µm coating thickness, it decreased to 0.01369mm/yr and 0.2870mm/yr for specimens in water and soil. Also, at 50µm coating thickness, corrosion rate decreased to 0.0052mm/yr and 0.0318mm/yr for specimens in water and soil, respectively. The inhibition efficiency increased with coating thickness, ranging from 51.00 – 98.15% for specimens immersed in water and 30.84 – 92.33% for specimens buried in soil at 25µm – 50µm coating thickness. The results demonstrated that Garcinia kola exudates can be used as corrosion inhibitor for mild steel exposed to corrosive media.

Corrosion inhibitive performance of Kopsia teoi extracts towards mild steel in 0.5 M HCl solution

This study investigates the capacity of Kopsia teoi (K. teoi) to inhibit corrosion, employing its stem extracts to prevent mild steel (MS) corrosion in 0.5 M HCl. In this study, three distinct extracts: dichloromethane alkaloid (KTDAE), dichloromethane non-alkaloid (KTDNAE), and methanol (KTME) were employed to investigate their corrosion mitigation performance, involving electrochemical impedance spectroscopy (EIS) and potentiodynamic polarization (PD) techniques. EIS results demonstrated a significant increase in inhibition efficiency with concentration for each extract, reaching 87.04, 90.62, and 93.51 % for KTDAE, KTDNAE, and KTME, respectively. According to PD analysis, Kopsia teoi extracts (KTEs) functioned as mixed-type inhibitors. Surface analysis through scanning electron microscopy-energy dispersive X-ray spectroscopy exhibited notable improvements in the morphology of treated MS plates, revealing the establishment of a protective surface film. Langmuir isotherm confirmed that KTEs formed a monolayer on MS surface, and the calculated free energies of adsorption were −25.924, −26.809, and −27.687 kJ mol−1 for KTDAE, KTDNAE, and KTME, respectively. This suggests effective adsorption through both physisorption and chemisorption mechanisms. Consequently, the results of this study highlight the encouraging effectiveness of KTEs as corrosion inhibitors for MS in acidic environments.

Synthesis and characterization of a new eco-friendly dopamine derivative schiff base as an effective corrosion inhibitor for mild steel in acidic environment

The natural corrosion inhibitor behaviour of a newly synthesized dopamine derivative Schiff base (4-DBAB) has been inspected on mild steel in aggressive 1 M HCl using linear polarization, electrochemical impedance spectroscopy and potentiodynamic polarization techniques. The Schiff base was synthesized by eco-friendly pathway. Characterization of the synthesized new non-toxic inhibitor was performed using FT-IR and 1H-NMR spectroscopy techniques. The anti-corrosive efficiencies at optimum concentration of 4-DBAB inhibitor was 87.4% after 1 h and 98.4% after 120 h by impedance technique in acidic solution. The potential of zero charge of mild steel was also determined to elucidate the inhibition mechanism in the presence of the highest 4-DBAB solution. The atomic force microscopy and field emission scanning electron microscopy researches performed on surface morphology to provide additional support on the interaction between the mild steel surface and 4-DBAB molecules. Adsorption behaviour of the inhibitor was also studied at different durations by experimental inhibition results and showed the Langmuir isotherm involving chemisorption. Highlights A new dopamine-derived Schiff base (4-DBAB) with natural and environmentally friendly corrosion inhibition properties was synthesized. (Synthesis of eco-friendly compound). 4-DBAB demonstrated a high anti-corrosive efficiency after 120 hours in aggressive 1M HCl, as determined by impedance technique. (Exceptional corrosion inhibition). The determination of the potential of zero charge of mild steel provided insights into the inhibition mechanism in the presence of the highest 4-DBAB solution. (Mechanism elucidation). AFM and FE-SEM studies on surface morphology supported the interaction between the mild steel and 4-DBAB molecules, affirming its corrosion inhibition properties. (Surface interaction analysis).

Synthesis and evaluation of a novel pyridinyl thiazolidine derivative as an antioxidant and corrosion inhibitor for mild steel in acidic environments

A new synthesized (Z)-2-((3,5-dichloropyridin-2-yl)imino)thiazolidin-4-one (DICPT) was evaluated as an antioxidant and a corrosion inhibitor for mild steel (M.STL) in a 0.5 M HCl solution. The antioxidant activity of newly synthesized DICPT was screened using a DPPH assay, and the results showed that DICPT has good antioxidant activity. Electrochemical assessments were conducted utilizing potentiodynamic polarization (PDP) and electrochemical impedance spectroscopy (EIS). A new compound, DICPT, was synthesized, and its chemical structure was established and validated through various spectroscopic techniques, including including infrared (FTIR), nuclear magnetic resonance (NMR), and mass spectroscopy. PDP measurements revealed DICPT to be a mixed-type inhibitor. Charge transfer resistance (Rct) increased when inhibitor concentrations increased, according to EIS tests. The inhibition efficiency (%I) showed a corresponding rise with increasing inhibitor concentration, peaking at approximately 94.2 % at 3 × 10−5 M. Langmuir’s adsorption isotherm was found to govern the preferred adsorption mode of DICPT molecules onto the metal surface. UV–visible spectra confirmed the chemical interaction between DICPT molecules and the M.STL surface. AFM investigation indicated the formation of a protective layer on the metal surface, shielding it from corrosive environmental factors. Quantum chemical calculations were compared to experimental results to learn more about how corrosion is stopped and how well it works. Our study demonstrates the innovation of DICPT as a dual-function compound, offering both antioxidant and corrosion protection properties. This research contributes to the development of effective corrosion inhibitors for industrial applications.

The inhibitory properties of the fagopyrum esculentum groats boiling extracts on corrosion of the mild steel in acidic environments

The inhibitory properties of the fagopyrum esculentum groats boiling extracts on corrosion of the mild steel in acidic environments

Corrosion inhibition of carbon steel by eucalyptus leaves in acidic media: An overview

This paper concerns the overview of previous studies on the corrosion and inhibition of carbon steel that is allowed to degrade in a corrosive medium by the extract of the eucalyptus plant, with an emphasis on the extract's adsorption behaviour. Many researchers have largely employed eucalyptus plant bark, oil, and leaf extracts to prevent the corrosion of mild steel in acidic environments under various temperature settings. According to the results, when the bark extract of the eucalyptus plant was added to HCl (5%) at a concentration of 900 ppm, the inhibitor's maximum efficiency was 98.2 %. The leaf extract, on the other hand, had the maximum inhibitory efficacy of 93.09 % at 600 mg/L extract concentration in the H2SO4 (0.5 M) medium. The extracts' potency was shown to diminish with increasing temperature. The mechanism for eucalyptus extract's protection of carbon steel from corrosion in diverse corrosive situations was largely associated with the adsorption of the extract's inhibitive components on the steel's surface to reduce the interaction between the metal and the corrosive surroundings. The majority of the reported inhibitive behaviour of the eucalyptus extract was consistent with the Langmuir adsorption isotherm model.

Unveiling the potent corrosion-inhibiting power of Ammophila arenaria aqueous extract for mild steel in acidic environments: An integrated experimental and computational study

Plant extracts have emerged as potent inhibiting compounds for metallic corrosion, offering numerous advantages including simple accessibility, low toxicity, eco-friendliness, biocompatibility, effectiveness, and renewability. In this study, the potential of Ammophila arenaria extract as a green corrosion inhibitor for mild steel in 1.0 M HCl over the concentration range of 25–700 ppm was evaluated, using various electrochemical analyses such as Open circuit potential (OCP), potentiodynamic polarization (PDP) and electrochemical impedance spectroscopy (EIS). Results revealed a notable reduction in the corrosion rate of steel, particularly at 700 ppm, where Ammophila arenaria extract demonstrated its highest inhibition efficiency, reaching 83.67% for polarization and 84.32% for EIS. The cathodic and anodic polarization curves indicated that the aqueous extract of Ammophila arenaria functions as a mixed-type inhibitor. The thermodynamic analysis revealed a negative Gibbs free energy value (∆Gads°), suggesting spontaneous physisorption as the predominant adsorption mechanism. To delve into the inhibition mechanism at the molecular level, the surface morphology of mild steel exposed to 1.0 M HCl solutions, both in the absence and presence of Ammophila arenaria aqueous extract, was scrutinized through Scanning Electron Microscopy (SEM) and Atomic Force Microscopy (AFM). Theoretical techniques, including Quantum Calculation Theory, Non-Covalent Interaction (NCI), and Atom In Molecule (QTAIM), were concurrently employed, providing valuable insights into molecular-level interactions. Remarkably, the computational studies complemented and corroborated the experimental data. These comprehensive results significantly contribute to the understanding of Ammophila arenaria extract's corrosion inhibiting properties, endorsing its potential as a sustainable and environmentally friendly corrosion inhibitor suitable for diverse industrial applications. The synergistic integration of experimental and computational approaches establishes a robust foundation for future endeavors in the field of green corrosion inhibitors.

Corrosion inhibition of mild steel in acidic environments: Mechanistic insights and protective effects of azo-cum inhibitor

An examination was conducted on a newly developed compound named N1-(coumarin-7-yl) amidrazone (Azo-Cum) to assess its impact on the corrosion of mild steel (MS) in a 1 M hydrochloric acid (HCl) solution. Various analytical techniques, including weight loss, potentiodynamic polarization (PDP), impedance spectroscopy (EIS), cyclic voltammetry (CV), UV–visible spectroscopy, scanning electron microscopy (SEM), and AFM, were employed to evaluate the inhibitory efficiency of the compound. The findings indicated that inhibition efficiency rose with higher concentrations but decreased with elevated temperatures. According to weight loss analysis, the optimal concentration of the new eco-friendly inhibitor (5 ×10−4 M) exhibited a maximum efficiency of 89.26%. Polarization studies disclosed that Azo-Cum acted as a mixed-type inhibitor with a cathodic predominance. The adsorption of the inhibitor on the MS surface followed the Langmuir adsorption isotherm. Additionally, the study explored the synergistic effect of Azo-Cum in combination with KI on MS corrosion in a 1 M HCl (Blank) solution using potentiodynamic polarization measurements. The results identified concentration ranges that demonstrated antagonistic inhibition. Density functional theory (DFT) and molecular dynamic simulation (MD) calculations were performed to investigate the correlation between molecular and chemical reactivity.

Study of N-(3-chloro-2-phenyl)-4-oxozetiden-1-yl)-isonicotinamide as a corrosion inhibitor of mild steel in acidic environment

Study of N-(3-chloro-2-phenyl)-4-oxozetiden-1-yl)-isonicotinamide as a corrosion inhibitor of mild steel in acidic environment

Controlling corrosion protection of mild steel in acidic environment via environmentally benign organic inhibitor

The current research employed electrochemical techniques to evaluate a green corrosion inhibitor Subphthalocyanine chloride (SubPc) to control the corrosion mitigation of mild steel in acidic environments. The corrosion rates and hydrogen evolution rates were measured by weight loss. The inhibitor was found to be highly effective with a corrosion-inhibiting efficiency up to 97.6% at a concentration of 150 ppm in 1 M HCl solution loaded with synthesized (SubPc) through variable concentrations. According to the obtained information from the polarization technique, the corrosion current density, icorr, decreases with increasing the concentration levels of (SubPcs) inhibitors in 1 M HCl medium. The inhibition mechanism of mild steel has been suggested as well as its excess surface charge was determined employing electrochemical impedance spectroscopy (EIS). The results suggest that the inhibitory functions by forming a protective barrier on the steel surface, hindering the corrosion process. The present study provides a new insight into developing eco-friendly and cost-effective corrosion inhibitor to protect mild steel from acidic corrosion.

1-Benzyl-4-Phenyl-1H-1,2,3-Triazole as a Green Corrosion Inhibitor for Carbon Steel Reinforcing Bars in Concrete Elements

Reinforced concrete (RC) plays a crucial role in the construction of structures around the world. But these structures are frequently subjected to corrosive conditions, which can degrade their structural performance, shorten their service life, resulting in failure with catastrophic consequences. The concrete high pH stabilizes the formation of an oxide passive layer on the rebar. Nevertheless, this protective film can be compromised if the chloride ion concentration threshold is reached at the steel rebar surface, which can occur as the structure ages while exposed to chloride containing environments. Considering growing environmental concerns about the effectiveness of existing corrosion control methods, this study investigates the potential of 1-Benzyl-4-Phenyl-1H-1,2,3-Triazole (BPT), an organic compound, as a green corrosion inhibitor for rebar corrosion. BPT was found to inhibit corrosion of mild steel in acidic environments and has been synthesized in an eco-friendly and sustainable method.The objective of this work is to evaluate the corrosion inhibition of BPT to protect steel reinforcement in simulated marine environments. BPT was evaluated in synthetic pore solution (SPS, 8.33 g/L NaOH + 23.3 g/L KOH + 2.0 g/L Ca(OH)2, pH: 13.6) in the presence of chlorides to determine its optimal concentration. Exposure took place following a modified version of ASTM G180. In addition different electrochemical techniques were used including linear polarization resistance, electrochemical impedance spectroscopy (EIS) and cyclic potentiodynamic polarization. Then, mortar specimens containing BPT were tested under accelerated exposure by simulated seawater spray (modified ISO 11474) and the electrochemical response characterized using electrochemical techniques. Also, the physical-mechanical properties were evaluated. The BPT was found to provide different mechanisms to inhibit rebar corrosion including, adsorption on the material (EIS results) and reduced mortar permeability (resistivity and capillary absorption tests). Furthermore, BPT (at the optimal concentration) did not affect the mechanical properties of the mortar.This work highlights the efficacy of an eco-friendly corrosion control technology to extend the service life of critical reinforced concrete structures for a sustainable future.

Anticorrosion studies of 5-acetyl-4-(3-methoxyphenyl)-6-methyl-1-phenyl-3,4-dihydropyrimidin-2(1H)-one: approach from experimental, DFT studies, and MD simulation

Abstract The effectiveness of 5-acetyl-4-(3-methoxyphenyl)-6-methyl-1-phenyl-3,4-dihydropyrimidin-2(1H)-one as a corrosion inhibitor for mild steel in acidic conditions was investigated herein through the experimental and theoretical approach. Experimental results demonstrated that this compound acts as a reliable corrosion inhibitor (η %) for mild steel in acidic environments, with its inhibition efficiency increasing as the inhibitor concentration rises. Adsorption behavior on the mild steel surface followed Langmuir and Temkin adsorption isotherms. Electrochemical polarization tests indicated that the compound exhibited a mixed corrosion type, and impedance spectroscopy revealed an increase in charge transfer resistance with higher inhibitor concentrations. Examination of the mild steel surface using SEM and Atomic Force Microscopy (AFM) confirmed the formation of a protective film. Wettability characteristics were assessed using the contact angle method. Frontier molecular orbital analysis revealed the HOMO and LUMO values for both the neutral and protonated forms of the compound. At 289 °C, the interaction energy for adsorption was found to be approximately −146.3006 kJ/mol for the neutral system and −135.8122 kJ/mol for the protonated system, while at 318 °C, the corresponding values were −140.6106 kJ/mol and −147.6022 kJ/mol. These findings collectively suggest the potential industrial utility of the investigated inhibitor as an effective corrosion inhibitor.

Green-synthetized β-amino-α-carbethoxy ethyl acrylates as corrosion inhibitors for mild steel in acid media: Experimental performance evaluation and atomic/molecular-level modeling

Two β-amino acrylate derivatives were synthesized through a solvent- and heating-free mechanochemical procedure. Those substances were tested as corrosion inhibitors for mild steel in acidic environment (1 mol/L HCl). Weight Loss Study demonstrated that both molecules mitigate corrosion with 85 and 90 % efficiencies. Electrochemical experiments proved that the corrosion mechanism is charge transfer and that the presence of EOAB and DBMM at any tested concentration in the electrolyte significantly increases the polarization resistance and lowers the corrosion density current. This phenomenon is due to the adsorption of the molecules on the mild steel surface, leading to the formation of a protection film that prevents the corrosion reaction, as suggested by Atomic Force Microscopy topographic images. The self-consistent-charge density-functional tight-binding method (SCC-DFTB) revealed that their adsorption strength on the iron surface followed well the corrosion inhibition performance. Both inhibitor molecules formed covalent bonds with iron atoms as evidenced from stable adsorption geometries and projected density of states. Quantum chemical parameters seem to fail in predicting the experimental performance. Outcomes from the present study confirmed the fact that an additional functional group would lead to an increased inhibition performance is not a granted correlation.

Exploring chromone derivatives as environmentally friendly corrosion inhibitors for mild steel in acidic environments: A comprehensive experimental and DFT study

Exploring chromone derivatives as environmentally friendly corrosion inhibitors for mild steel in acidic environments: A comprehensive experimental and DFT study

KINETIC AND THERMODYNAMIC ASSESSMENT OF THE POTENCY OF IRVINGIA GABONENSIS PLANT EXTRACT AS AN ECO-FRIENDLY INHIBITOR FOR MILD STEEL IN AN ACIDIC ENVIRONMENT

The kinetic and thermodynamic efficacy of Irvinga Gabonensis plant extract as an effective eco-friendly inhibitor for mild steel in acidic environment were studied using gravimetric measurement (GM) at varied temperature of 298,308, and 318 K, as well as

Combined electrochemical, DFT/MD-simulation and hybrid machine learning based on ANN-ANFIS models for prediction of doxorubicin drug as corrosion inhibitor for mild steel in 0.5 M H2SO4 solution

In this work, Doxorubicin drug was used as mild steel corrosion inhibitor in 0.5 M H2SO4 solution. Herein, standard techniques like gravimetric, electrochemical measurement, density functional theory via DFT/ molecular dynamic simulation (MDS), Scanning electron microscopic (SEM), were used for proper evaluation of Doxorubicin drug as anticorrosive agent. According to the experimental findings, Doxorubicin drug significantly inhibits mild steel corrosion, and its effectiveness increases with an increase in the drug concentration. Maximum inhibition efficiency at 100 ppm was 93.3 %, 91.3 % and 96.8 % for electrochemical impedance (EIS), polarization test (PDP) and gravimetric techniques respectively. The electrochemical study indicates that Doxorubicin is a mixed-type inhibitor. Close scrutiny of the corroded and inhibited metals evidenced that Doxorubicin drug produced a better and more uniform coating on the surface of mild steel. The molecular structure of the drug and its contribution to the inhibition mechanism was further understood using simulations based on density functional theory (DFT) and molecular dynamics simulation (MDS). In addition, artificial neural networks (ANN) and adaptive neuro-fuzzy inference system (ANFIS) were used to predict and model the interactive effects affecting the response. Also, statistical parameters like coefficient of determination (R2), root mean square error (RMSE), mean absolute percentage error (MAPE), and mean absolute deviation (MAD) were used to assess the models' performance. The results demonstrate that the FCM-clustered ANFIS model with 15 clusters perform better than ANN model with RMSE, MAD, MAPE, and R2values of 0.978, 0.642, 4.823, and 0.9925 at the testing phase, and 0.6435, 0.4248, 2.8151, and 0.9998 at the training phase respectively. The best prediction was made using complete FCM-ANFIS model, which had accuracy of 98.4 %. Hence, a robust system prediction can be achieved via ANN and ANFIS algorithms to predict corrosion inhibition of mild steel in acidic environment using drug based corrosion inhibitors.