Polarization Techniques Research Articles

Electrochemical Analysis on Corrosion of Stainless Steels in Molten Nitrate Salt

Electrochemical analysis of corrosion in molten nitrate salt of stainless steel grade SS 430, SS 2205, SS 2507 and SS 304 is directly performed to evaluate corrosion resistance. Stainless steels are exposed to molten nitrate salt at 600 °C for two hours. This is done in a furnace equipped with a working electrode terminal, reference and counter electrodes. According to this, electrochemical impedance spectroscopy and potentiodynamic polarization techniques are applied in situ to measure corrosion rates and corrosion resistance. Microstructures of stainless steel reveal the ferrite phase for SS 430, the austenite phase for SS 304 and the duplex phase for SS 2205 and SS 2507. In this study, the existence of an austenite phase promotes corrosion resistance in molten nitrate salt.

Electrochemical behaviour of tungsten nitride thin film in phosphate buffer saline solution for application in bioelectronics

ABSTRACT Micro-supercapacitor with tungsten nitride electrode has the potential to be used in bioelectronics for fast power supply. This study examines the electrochemical behaviour of magnetron-sputtered tungsten nitride (W2N) thin film in phosphate buffer saline (PBS) solution to evaluate their corrosion rate as electrodes in micro-supercapacitors used in bioelectronics. The electrochemical behaviour of W2N was analysed using potentiodynamic polarization (PDP) and electrochemical impedance spectroscopy (EIS) techniques. The corrosion rate of W2N was compared with commercially pure titanium (CP-Ti) and magnetron-sputtered pure iron (Fe) film. Our results show that the corrosion current density of W2N was ∼6 times higher than CP-Ti and ∼2.5 times lower than Fe. Additionally, the charge transfer resistance of W2N was 18 times lower than that of CP-Ti and 1.3 times higher than Fe. Overall, the corrosion rate of W2N was significantly higher than CP-Ti and slightly lower than Fe. In summary, the findings suggest that W2N could be a potential candidate for micro-supercapacitor electrodes in bioelectronics. However, further studies are required to fully evaluate the biodegradation behaviour of W2N in vivo.

Development of engineering coating based on alumina nanoparticles incorporated into a Ni-Co alloy matrix: Effect of current density and alumina bath loading on microstructure and electrochemical corrosion behavior

The construction of electrodeposited coatings (EDCs) with enhanced microstructural characteristics and superior electrochemical corrosion behavior is of enduring concern for the industrial applications. In this study, alumina (Al2O3) nanoparticles were incorporated into a Ni-Co alloy matrix to improve its morphological and electrochemical behaviors. The primary objective was to assess the impact of varying electrodeposition current densities (20, 40, and 60 mA/m2) and different contents of alumina (3, 5, and 7 g/L) on the properties of a ternary Ni-Co-Al2O3 composite coating. EDX analysis was employed to investigate the effects of deposition current density and alumina bath loading on cobalt/nickel (Co/Ni) ratio and alumina content in the coatings. The results revealed that both the Co/Ni ratio and alumina content in the coatings increased with increasing current density and bath loading, but only up to certain thresholds (40 mA/m2 and 5 g/L). XRD analysis was conducted to assess the phase composition, crystal structure, crystallite size values, and preferred orientation of the fabricated EDCs. The mechanical properties of the deposited coatings were also evaluated using Vickers microhardness testing. The electrochemical corrosion behavior of the as-prepared EDCs was assessed using potentiodynamic polarization (Tafel) and electrochemical impedance spectroscopy (EIS) techniques. The 40 mA/cm2 and 5 g/L samples exhibited lower corrosion current density (jcorr), higher charge transfer resistance (Rct), and lower double layer capacitance (CPEdl) values, suggesting that the increased cobalt and alumina particles in the coatings improved the corrosion resistance. Consequently, the optimal current density and alumina bath content for achieving the most favorable properties were found to be 40 mA/m2 and 5 g/L, respectively.

Corrosion and Microhardness Behavior Improvement of 316L Stainless Steel via Fiber Laser Surface Treatment

This study investigated how fibre laser surface treatment affects stainless steel 316L’s microhardness and corrosion resistance. The laser parameters utilized in this investigation were four different readings of laser power applied at a constant frequency and scanning speed to stainless steel 316L specimens. A digital micro-Vickers hardness tester was used to measure the microhardness of the samples before and after laser treatment. The TAFEL cyclic potentiodynamic polarization technique was employed to study corrosion behaviour. The microstructure of the base metal and the effect of laser power were investigated using optical microscopy. The phases before and after laser treatment were identified through X-ray diffraction, and the cross section of the heat-affected zones and the molten pool’s depth were examined using a scanning electron microscope. Results revealed that laser treatment affected microstructural transitional phase alterations. Compared with the average microhardness of the base metal, the microhardness of the laser-treated specimens improved to 78.23% as the laser power increased. The increase in microhardness considerably enhanced corrosion resistance to 36.13% relative to that of the base metal.

Ultra-wide band and high efficient Polarization converting metasurface employing Bell-shaped unit cell for RCS reduction

Polarization is a dominant parameter regarding communication systems in recent times. The standard polarization techniques can be used only to a certain extent because of their huge size and limited bandwidth constraints. A design of bell-shaped polarization converting metasurface (PCMS) is presented in this paper which is highly efficient for Radar cross section (RCS reduction) and also operates in ultra-wideband. The designed PCMS attains a polarization conversion ratio of more than 90% by demonstrating the transformation of the linear polarization wave to its orthogonal counterpart. The PCMS is arranged in a triangular chessboard configuration to reduce the RCS. RCS reduction is obtained by achieving destructive interference, accomplished by two unit cells. The two unit cells, PCMS and its mirror will have a phase difference of 180 ± 37°. The phase cancellation is obtained by rotating and arranging the proposed PCMS at 90°, 180° and 270°. RCS reduction is obtained in a frequency range from 4 GHz to 24.8 GHz with 144% FBW. This PCMS is verified experimentally. A good agreement is found between the simulation and the experimental results.

Dynamic study on the anodic dissolution of 304 stainless steel with elastic stress in sodium chloride solution

Effects of elastic stresses on the anodic dissolution of 304 stainless steel (SS) in 0.5 mol·dm−3 NaCl solution have been investigated by potentiodynamic polarization technique, scanning electron microscopy (SEM) and digital holography (DH). From the polarization curves, the SEM morphologies and the phase reconstruction maps, the effects of tensile and compressive stresses on the anodic dissolution of 304 SS have been analyzed. The tensile stresses and the large compressive stresses promote the anodic dissolution and increase the pitting susceptibility of 304 SS. However, the small compressive stress inhibits the anodic dissolution and decreases the pitting susceptibility of 304 SS. In this study, DH was used to observe the surface reactivity distribution of both the tensile and compressive stressed regions of the same sample. The conclusions obtained from the in-situ observations with DH are consistent with those drawn from the electrochemical measurements and the surface morphologies.

The effects of current density on the properties of HAp-Nb2O5 films electrodeposited by pulsed current

ABSTRACT The performance of electrodeposited coatings is usually very dependent on the operating conditions. Current density can have a major effect on the appearance of electrodeposits, their physical/mechanical properties and corrosion resistance. In the present study, HAp-Nb2O5 composite layers were electrodeposited on NiTi from stirred, aqueous electrolytes, containing 1 g dm−3 of suspended Nb2O5 particles at a current density of 10, 15 or 20 mA cm−2. The morphology, topography, and elemental composition of the surface were determined using FESEM, AFM, and EDS, respectively. A higher current density enhanced the content of co-deposited Nb2O5 particles but risked the formation of particle aggregation. Microhardness and corrosion, carried out by the Vickers microhardness and potentiodynamic polarization techniques, illustrated that the films electroplated at 15 mA cm−2 showed the highest corrosion resistance performance and the least Ni2+ ion leaching. The results may aid the development of high-performance coatings on NiTi in orthopaedic applications..

2-Amino-6-methylbenzothiazole as corrosion inhibitor for low carbon steel in acidic solution: Experimental and theoretical studies

The corrosion susceptibility of S235 steel samples in 1 M HCl solution, with and without addition of 2-amino-6-methylbenzothiazole (AMBT) was evaluated using weight loss (WL), chronopotentiometry, electrochemical impedance spectroscopy (EIS), and potentiodynamic polarization (PD) techniques. The corrosion inhibition efficiency of AMBT was investigated at 298 to 318 K, with and without addition of 0.5 wt% KI. The highest corrosion inhibition efficiency (i.e. 83.30 %) was achieved upon addition of 5 mM AMBT. PD curve measurements after 24 h immersion revealed that AMBT behaves as a mixed-type inhibitor, predominantly affecting the cathodic corrosion reaction. Thermodynamic calculations showed that AMBT adheres to the Langmuir adsorption isotherm. Attenuated total reflectance Fourier transform infrared (ATR-FTIR) was used to confirm the adsorption of AMBT, while its influence on the morphology of the S235 steel samples was also investigated by scanning electron microscopy (SEM). Density Functional Theory (DFT) calculations, along with Monte Carlo (MC) and Molecular Dynamics (MD) simulations, were employed to investigate AMBT’s corrosion inhibition behaviour at the molecular level. The simulations confirmed that AMBT strongly adsorbs on the Fe(110) surface through a combination of physisorption and chemisorption mechanisms. This study offers detailed insights into AMBT’s effectiveness as a corrosion inhibitor

Carob fruit extract as naturally products corrosion inhibitor for copper-nickel alloys in brine solutions

Copper-nickel alloys are the preferred material for desalination facilities and condensers and heat exchangers that use saltwater as a coolant. The eco-friendly compounds especially Carob fruit extract (CFE) has emerged as excessive green corrosion inhibitor for alloys. Cu-Ni alloys are widely used in various industries due to their excellent corrosion resistance. However, their performance can be compromised in aggressive environments like seawater (which is approximately 3.5% NaCl). To evaluate the corrosion behavior of these alloys and the effectiveness of corrosion inhibitors, researchers often employ weight loss, potentiodynamic polarization, and impedance spectroscopy techniques. The results showed that CFE exhibited a good ability to decrease the CR of alloys in 3.5% NaCl solution. The inhibition efficacy (IE) was reached to 92.6% and ̴ 83.2% at 300 ppm dose of CFE for Cu-10Ni alloy and Cu-30Ni alloy, respectively. The CR increases with temperature rising, but the addition of CFE reduces the CR, and the reduction depends on the dose of the extract. Adsorption of the extract gives a good fit to Langmuir, Temkin, and Freundlich isotherms model. The free adsorption energies of CFE on Cu-10Ni and Cu-30Ni alloys were 17.61 and 15.86 kJ mol−1, respectively, suggesting that CFE was weakly held to both alloys. The presence of a protective film on the alloys surface is confirmed by using scanning electron microscopy (SEM), energy dispersive X-ray (EDX) spectroscopy and atomic force microscope (AFM). The study suggests that utilizing affordable, natural substances as green corrosion inhibitors presents a new strategy for promoting both resource efficiency and environmental sustainability.

Polarization: A Universal Driving Force for Energy, Environment, and Electronics

AbstractThe sustainable future relies on the synergistic development of energy, environmental, and electronic systems, founded on the development of functional materials by exploring their quantum mechanisms. Effective control over the distribution and behavior of charges within these materials, a basic quantum attribute, is crucial in dictating their physical, chemical, and electronic properties. At the core of charge manipulation lies “polarization”—a ubiquitous phenomenon marked by separating positive and negative charges. This review thoroughly examines polarization techniques, spotlighting their transformative role in catalysis, energy storage, solar cells, and electronics. Starting with the foundational mechanisms underlying various forms of polarization, including piezoelectric, ferroelectric, and pyroelectric effects, the perspective is expanded to cover any asymmetric phenomena that generate internal fields, such as heterostructures and doping. Afterward, the critical role of polarization across various applications, including charge separation, surface chemistry modification, and energy band alignment, is highlighted. Special emphasis is placed on the synergy between polarization and material properties, demonstrating how this interplay is pivotal in overcoming existing technological limitations and unlocking new functionalities. Through a comprehensive analysis, a holistic roadmap is offered for harnessing polarization across the broad spectrum of applications, thus finding sustainable solutions for future energy, environment, and electronics.

Effect of match location on the playing style of teams coached by 'Pep' Guardiola.

Analysis in football seeks to find the performance factors that bring teams closer to success. This study aims to analyze the playing styles of two teams managed by Pep Guardiola (F.C. Barcelona and Manchester City) based on match location (home or away). Two methods of analysis were used: descriptive statistics through chi-square tests to evaluate game characteristics and the polar coordinates technique to analyze the relationships between the different lines of each team (goalkeeper, defenders, midfielders, and forwards). The results showed that F.C. Barcelona maintained a consistent playing style regardless of location, exhibiting significant differences only in actions that involved shots or header (p = 0.035), with better performance at home. In contrast, Manchester City displayed significantly different performance in action success (p < 0.001), level of play elaboration (p = 0.004), density (p = 0.033), duration (p = 0.036), and actions that included a shot (p = 0.001) depending on the location. Additionally, qualitative analyses revealed differences in the relationships among the team lines according to match location, with Manchester City displaying more variability in these interactions than F.C. Barcelona. The study concludes that although Guardiola applies a consistent set of strategies, match location has a greater influence on Manchester City's performance, suggesting that this team adjusts its playing style on the basis of contextual conditions. These findings highlight the importance of considering factors such as location when preparing tactics to increase the probability of success in elite football.

Evaluation of cactus mucilage as a green corrosion inhibitor for copper in sulfuric acid environment

This study investigates the corrosion inhibition performance of cactus mucilage for copper in 0.5 M H2SO4 solution. The cactus mucilage was extracted using a pure water extraction method and characterized using FTIR and GC-MS analyses. The inhibition efficiency was evaluated using potentiodynamic polarization and EIS techniques, while surface morphology was analyzed using SEM and AFM. The potentiodynamic polarization results revealed that cactus mucilage acts as a mixed-type inhibitor, with inhibition efficiency increasing from 78.6% at 100 mg L-1 to 94.5% at 600 mg L-1. The EIS measurements showed a significant increase in charge transfer resistance from 0.56 k? cm-2 in the uninhibited solution to 8.26 k? cm-2 with 600 mg L-1 cactus mucilage. The adsorption of cactus mucilage on the copper surface followed the Langmuir isotherm model, with a strong adsorption equilibrium constant of 23.6 × 103 M. Compared to other green inhibitors, cactus mucilage exhibited superior inhibition efficiency and sustainability advantages, making it a promising eco-friendly alternative for copper corrosion protection.

Ruta graveolens Plant Extract as a Green Corrosion Inhibitor for 304 SS in 1 M HCl: Experimental and Theoretical Studies

This study evaluated the corrosion inhibitory effects of Ruta graveolens leaf extract for 304 stainless steel in 1 M HCl. The analysis of the leaf extract using HPLC indicated that the primary compounds present in the leaf extract were rutin, caffeic acid, p-coumaric acid, and apigenin. The inhibition efficiency (IE%) of the extract was studied using weight loss, potentiodynamic polarization, electrochemical impedance spectroscopy (EIS), and computational simulation (density functional theory, DFT). The effects of the inhibitor concentration and solution temperature were investigated. The results indicated that the IE% increased for increasing concentrations of the extract, while the reverse was true with increasing temperatures. At 25 °C and a 600 ppm extract concentration, the results indicated a maximum inhibition efficiency of 95%, 98%, and 96% by weight loss, potentiodynamic polarization, and EIS techniques, respectively. SEM observations showed a significant change in the surface morphology of the 304 SS with and without the addition of the inhibitor compound. At all temperatures, the adsorption of the inhibitor components onto the 304 SS surface was found to follow the Langmuir isotherm model, and the inhibition process was governed by physical adsorption. Furthermore, chemical interactions between the inhibitor and the 304 SS steel surface were elucidated via density functional theory (DFT) calculations.

Tracking microbial movement in saturated media with spectral induced polarization

Pathogenic microorganisms in the subsurface can contaminate soil and water supplies, potentially posing great danger to human health. Early contamination detection routines rely on sparse direct sampling which is spatiotemporally limited. Thus, the path of microorganisms in the subsurface remains ambiguous and this can cause delays in detection of biohazardous threats. The geophysical spectral induced polarization (SIP) technique, sensitive to microbes' presence and activity in porous media, is a promising method to monitor microbial transport pathways. Here we evaluated the efficiency of SIP in monitoring the chemotactic movement of Sporosarcina pasteurii in saturated porous media. A cylindrical sample holder was packed with Ottawa sand and saturated with sterile KCl solution. The sample holder was oriented vertically and S. pasteurii was introduced at the bottom, forcing the movement of the microbes against gravity, towards a carbon source available at the top of the column. Temporal SIP measurements were collected at 3 regions of the sample holder: bottom (microbial injection point), middle and top (carbon source). Both the real (σ′) and imaginary (σ″) conductivity parts of the SIP signal increased over time with the σ″ showing a peak signal magnitude following the upward movement of the microbes. We repeated the experiment excluding the carbon source in experiment 2 and omitting microbial injection in experiment 3. However, we did not observe any significant SIP signal changes in these two experiments. This is the first study to indicate the strong SIP signal correlation with microbial chemotaxis.

Investigation of Corrosion Inhibition of Carbon Steel by Using Natural Iraqi Plum Tree Gum in a Saline Medium

In response to the growing interest in green chemistry and the adoption of environmentally friendly and cost-effective compounds in industrial and agricultural applications, this study focuses on exploring the potential of natural compounds. Specifically, the research investigates the corrosion inhibitory properties of Iraqi plum tree gum. The natural gum is characterized using Fourier transform infrared spectroscopy to identify its functional groups and atomic force microscopy (AFM) for further analysis. The electrochemical polarization technique was used to study corrosion measurements for carbon steel (C.S) in saline solution and in the presence of the inhibitor (Plum Tree Gum) in different concentration solutions. The findings revealed a positive correlation between the concentration of plum tree gum and the efficiency of the inhibitor, indicating that higher concentrations of the gum result in increased inhibitory effectiveness.

Yeast Solutions and Hyperpolarization Enable Real-Time Observation of Metabolized Substrates Even at Natural Abundance.

Metabolic changes in an organism often occur much earlier than macroscopic manifestations of disease, such as invasive tumors. Therefore, noninvasive tools to monitor metabolism are fundamental as they provide insights into in vivo biochemistry. NMR represents one of the gold standards for such insights by observing metabolites. Using nuclear spin hyperpolarization greatly increases the NMR sensitivity, enabling μmol/L sensitivity with a time resolution of about one second. However, a metabolic phantom with reproducible, rapid, and human-like metabolism is needed to progress research in this area. Using baker's yeast as a convenient metabolic factory, we demonstrated in a single study that yeast cells provide a robust and rapidly metabolizing phantom for pyruvate and fumarate, including substrates with a natural abundance of 13C: we observed the production of ethanol, carbon dioxide, bicarbonate, lactate, alanine from pyruvate, malate, and oxaloacetate from fumarate. For observation, we hyperpolarized pyruvate and fumarate via the dissolution dynamic nuclear polarization (dDNP) technique to about 30% 13C polarization that is equivalent to 360,000 signal enhancement at 1 T and 310 K. Major metabolic pathways were observed using tracers at a natural abundance of 13C, demonstrating that isotope labeling is not always essential in vitro. Enriched [1-13C]pyruvate revealed minor lactate production, presumably via the D-lactate dehydrogenase (DLD) enzyme pathway, demonstrating the sensitivity gain using a dense yeast solution. We foresee that yeast as a metabolic factory can find application as an abundant MRI phantom standard to calibrate and optimize molecular MRI protocols. Our study highlights the potential of using hyperpolarization to probe the metabolism of yeast and other microorganisms even with naturally abundant substrates, offering valuable insights into their response to various stimuli such as drugs, treatment, nourishment, and genetic modification, thereby advancing drug development and our understanding of biochemical processes.

Live magnetic observation of parahydrogen hyperpolarization dynamics

Hyperpolarized nuclear spins in molecules exhibit high magnetization that is unachievable by classical polarization techniques, making them widely used as sensors in physics, chemistry, and medicine. The state of a hyperpolarized material, however, is typically only studied indirectly and with partial destruction of magnetization, due to the nature of conventional detection by resonant-pickup NMR spectroscopy or imaging. Here, we establish atomic magnetometers with sub-pT sensitivity as an alternative modality to detect in real time the complex dynamics of hyperpolarized materials without disturbing or interrupting the magnetogenesis process. As an example of dynamics that are impossible to detect in real time by conventional means, we examine parahydrogen-induced 1H and 13C magnetization during adiabatic eigenbasis transformations at [Formula: see text]T-field avoided crossings. Continuous but nondestructive magnetometry reveals previously unseen spin dynamics, fidelity limits, and magnetization backaction effects. As a second example, we apply magnetometry to observe the chemical-exchange-driven 13C hyperpolarization of [1-13C]-pyruvate-the most important spin tracer for clinical metabolic imaging. The approach can be readily combined with other high-sensitivity magnetometers and is applicable to a broader range of general observation scenarios involving production, transport, and systems interaction of hyperpolarized compounds.

The Influence of Citric Acid on the Corrosion Process of Different Metallic Materials

Abstract The paper presents the results from a study of the corrosion behaviour of different metallic materials, such as copper, aluminium and OL 52 steel in the presences of various concentrations of citric acid added in neutral solution (Na2SO4 0.25 M). Citric acid (2-hydroxy-1, 2, 3-propanetricarboxylic acid) is among the most commonly utilized compounds in the food and beverage sectors. This non-toxic chemical can be derived from natural, renewable sources such as citrus fruits, pineapples, kiwis, raspberries, strawberries, and both black and red currants. Corrosion studies carried out previously demonstrated a mixed effect of citric acid, it can be a good inhibitor for aluminum alloys in a strongly acidic or strongly basic media as well as in neutral NaCl media, for low carbon-steel and copper in an acidic environment, but also, a good, accelerated corrosion agent in an alkaline solution for metals such as iron, copper, zinc and tin. Potentiodynamic polarization and chronoamperometry techniques were used in the experimental part of this paper to evaluate the inhibition efficiency of the citric acid in test solutions. Also, Tafel method for the kinetic parameters determination for studied corrosion process.

Chitosan and Its Derivatives as a Barrier Anti-Corrosive Coating of 304 Stainless Steel against Corrosion in 3.5% Sodium Chloride Solution

This study investigates the corrosion resistance of chitosan and its crosslinked form coatings applied on stainless steel as substrate using various analytical techniques. Fourier transform infrared spectroscopy (FTIR-ATR), scanning electron microscopy (SEM), and energy-dispersive X-ray spectroscopy (EDS) were employed for surface characterization. Electrochemical impedance spectroscopy (EIS) and potentiodynamic polarization (PDP) techniques were used to analyze the electrochemical behavior. Four coatings were evaluated along with naked stainless steel (ss): chitosan (Chi), chitosan crosslinked with ammonium paratungstate (Chi/PTA), chitosan crosslinked with polyethylene glycol (Chi/PEG), and chitosan crosslinked with polyvinylpyrrolidone (Chi/PVP). Electrochemical measurement parameters analysis assessed the coating corrosion resistance, such as impedance modulus (|Z|) and corrosion potential (Ecorr). Results indicate varying degrees of corrosion resistance among the coatings. Chi/PTA exhibited notable characteristics in the electrochemical tests, showing promising polarization resistance (Rp) and impedance behavior trends. Conversely, Chi/PEG showed differing electrochemical responses, suggesting higher susceptibility to corrosion under the study conditions. These findings contribute to understanding the electrochemical performance of chitosan-based coatings on stainless steel, highlighting their potential in corrosion protection applications.

Exploring the Effectiveness of 3-Chloro-4-morpholin-4-yl-1,2,5-thiadiazole as a Eco-Friendly Corrosion Inhibitor for Mild Steel in HCl Solution: Experimental and DFT Analysis

Corrosion is a significant issue in many industries, particularly where metals are exposed to harsh chemical environments. This study investigates the efficacy of 3-Chloro-4-morpholin-4-yl-1,2,5-thiadiazole (CMTD) as a corrosion inhibitor for mild steel in 1 M HCl solution across a temperature range of 303–333 K. Using weight loss measurements, electrochemical impedance spectroscopy (EIS), and potentiodynamic polarization techniques, the inhibition efficiency of CMTD was evaluated at different concentrations and temperatures. The results show that CMTD achieves a maximum inhibition efficiency of 96.8% at a highest inhibitor concentration, even at elevated temperatures. The adsorption of CMTD on the mild steel surface follows the Langmuir adsorption isotherm, with a calculated free energy of adsorption (ΔGads) of -39.5 kJ/mol, confirming a spontaneous chemisorption process. Quantum chemical Density Functional Theory (DFT) studies further elucidated the relationship between CMTD's molecular structure and its inhibition efficiency. Key parameters, including the energy gap (Egap = 3.551 eV), highest occupied molecular orbital (EHOMO = -6.317 eV), and lowest unoccupied molecular orbital (ELUMO = -2.766eV), were calculated to understand CMTD's reactivity. Additionally, global reactivity descriptors such as chemical hardness (η), electronegativity (χ), and the electron fraction transferred (ΔN) from CMTD to the iron surface were analyzed. These findings suggest that CMTD is highly effective in preventing corrosion and can be applied in industries where mild steel is exposed to acidic environments, such as in petrochemical and industrial cleaning processes.