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Öğe Computational and experimental studies on the corrosion inhibition performance of an aerial extract of Cnicus Benedictus weed on the acidic corrosion of mild steel(Elsevier, 2022) Thakur, Abhinay; Kaya, Savas; Abousalem, A. S.; Sharma, Shveta; Ganjoo, Richika; Assad, Humira; Kumar, AshishThe corrosion inhibition investigation of aerial extract of Cnicus Benedictus, a weed referring to the Asteraceae family has been evaluated on the mild steel corrosion in 0.5 M HCl with the employment of the weight-loss method, potentiodynamic polarization measurements (PDP) and electrochemical impedance spectroscopy (EIS) techniques. This investigation demonstrated Cnicus Benedictus extract (CBE) as a green and sustainable mild steel corrosion inhibitor in 0.5 M HCl media exhibiting an inhibition efficacy of 92.45% at 1000 ppm. With the increased concentration of CBE, the value of i(corr )and corrosion rate (C-R) decreased significantly from 7.4114 to 0.97438, revealing the protective effect of CBE on mild steel. The deposition of a highly defensive coating on the mild steel surface was demonstrated by the contact angle measurements. Additionally, the increase in the K(ads )values indicated a stronger interaction between the inhibitor molecules and metal surface. Furthermore, density functional theory (DFT) and Monte Carlo simulations have been utilized to validate the significant inhibition characteristic attained by the experimental study and to suggest an adsorption mechanism.(C) 2022 Institution of Chemical Engineers. Published by Elsevier Ltd. All rights reserved.Öğe Coordination Polymers as Corrosion Inhibitors(American Chemical Society, 2022) Thakur, Abhinay; Assad, Humira; Sharma, Shveta; Ganjoo, Richika; Kaya, Savas; Kumar, AshishCorrosion is a destructive phenomenon that has catastrophic outcomes on technical and commercial applications, specifically in oil and gas-related enterprises. Thus, mitigating metallic corrosion is a crucial need of technological, economic, environmental and elegant need that could save huge money on equipment, machinery and construction. Polymers have become a preferred candidate for the corrosion inhibition of numerous metals/alloys in various corrosive media due to their ability to form complexes with metal ions that occupy a large area by their functional groups, thereby preventing the metal surface from aggressive ions existing in the corrosive medium. For instance, it is remarkable to attain the inhibition efficacy of 93% at an optimum concentration of 800 ppm at 50 °C. Taking into account such extreme corrosion inhibiting efficacy of coordination polymers; herein, in this chapter, we discuss the effects of novel coordination polymers such as polyacrylamide (PACM), cerium(III)-melamine coordination polymer (CMCP), copper(I) coordination polymer:1H-benzotriazole: poly[l3-benzotria- zolato-j3N1:N2:N3-copper(I)], etc., on the control or reduction of corrosion. Additionally, the impact of temperature on the corrosion rate will be discussed along with the relative inhibition mechanisms. © 2022 American Chemical SocietyÖğe Electrochemical and computational investigations of the Thysanolaena latifolia leaves extract: An eco-benign solution for the corrosion mitigation of mild steel(Elsevier, 2023) Thakur, Abhinay; Kumar, Ashish; Kaya, Savas; Benhiba, Fouad; Sharma, Shveta; Ganjoo, Richika; Assad, HumiraThe development of eco-benign corrosion inhibitors is gaining increased attention due to the non -biodegradability and toxic effects of conventional inhibitors. In this study, the anti-corrosive efficacy of Thysa-nolaena latifolia leaves extract (TLLE) has been evaluated on mild steel in an acidic solution (0.5 M HCl) by employing various approaches including gravimetric assessment, electrochemical measurements, scanning electron microscopy and energy dispersive X-ray spectroscopy. The outcomes demonstrated that with the increased concentration of TLLE from 50 ppm to 1000 ppm, the inhibition efficiency (IE%) elevated up to 93.90 % and the corrosion rate decreased significantly from 2.513 mm/yr to 0.203 mm/yr at 298 K. Moreover, it was revealed that at a higher concentration (1000 ppm), the Rp values increased from 30.784 ohm to 157.83 ohm with an Rct in value of 159.627 ohm cm2 suggesting the defensive film formation by TLLE molecules over the metallic surface. The quantum chemical analytics further underpinned the empirical findings, showing a high Delta E(eV) value of 0.239 and interaction and binding energies of-995.45 and 995.45 for TLLE molecules upon Fe (110) substrate. The findings indicate that TLLE has a promising prospect as an eco-benign and efficient inhibitor for preventing the corrosion of mild steel in corrosive environments.Öğe Experimental, DFT and MC simulation analysis of Vicia Sativa weed aerial extract as sustainable and eco-benign corrosion inhibitor for mild steel in acidic environment(Elsevier, 2022) Thakur, Abhinay; Kaya, Savas; Abousalem, Ashraf S.; Kumar, AshishIn the current investigation, the corrosion inhibition efficacy of a weed, Vicia Sativa has been investigated on the mild steel corrosion in 0.5 M HCl using weight-loss (WL) method, electro-chemical impedance spectroscopy (EIS), potentiodynamic polarization measurements (PDP) and scanning electron microscope (SEM) techniques, in addition to surface examination analysis. This investigation revealed Vicia Sativa extract (VSE) as a green and eco-benign corrosion inhibitor for mild steel in 0.5 M HCl corrosive solution demonstrated an inhibition efficiency (IE%) of 91.24% at 298K in presence of 1000 ppm of VSE. The results attained from EIS investigations indicated an enhancement in polarization resistance (R-p) from 55.78 Cd at 50ppm to 191.05 Cd at 1000ppm, affirming the inhibitive potential of the investigated inhibitor. Additionally, on increasing the concentration of VSE from 50ppm to 1000ppm, the values of i(corr) and corrosion rate (C-R) decreased from 554.05 mu A to 122 mu A and 6.438mmy(-1) to 1.4176mmy(-1), demonstrating the excellent inhibition potential of VSE on the mild steel corrosion. Additionally, the cathode Tafel slope (Oc) (from-142.76 to -153.24mV/dec) and anode Tafel slope (Oa) (from 127.79 to 134.71mV/dec) values rarely altered when the inhibitor was introduced with increasing con-centration from 50ppm to 1000ppm, showing that the process of hydrogen evolution stayed intact, revealing the inhibitor molecule adhesion on the metallic substrate which lessened the degree of active spots available for the reaction while sustaining the charge transfer process of hydrogen generation. Furthermore, integrated computational investigations, such as density functional theory (DFT) and Monte Carlo (MC) simulations confirms the potent inhibitory efficacy of VSE.Öğe Insight into the Corrosion Inhibition Behavior of Ionic Liquids for Metals and Their Alloys in Corrosive Media: A Comprehensive Review(American Institute of Physics Inc., 2023) Thakur, Abhinay; Bharmal, Ayan; Sharma, Shveta; Ganjoo, Richika; Assad, Humira; Kaya, Savas; Kumar, AshishOwing to the hazardous effects of frequently utilized corrosion inhibitors, as well as the critical health and safety laws governing their usage and storage, there is huge enthusiasm in finding efficient non-hazardous substitutes. Ionic liquids (ILs) have gotten a lot of attention in the last decade, owing to their intriguing qualities like non-inflammability, low volatility, less hazardous, superior thermal resilience, and capability for getting easily adsorb on the surface of the metal. This review article includes a compendium of recent scientific articles and reviews on ILs as corrosion inhibitors (mostly from 2015 to 2021). This article provides an overview of the utilization of ILs as corrosion inhibitors. Additionally, corrosion inhibitors are reviewed in detail, as well as their latest trends and advancements. © 2023 American Institute of Physics Inc.. All rights reserved.Öğe Plant extracts as bio-based anticorrosive materials(Elsevier, 2023) Thakur, Abhinay; Assad, Humira; Kaya, Savas; Kumar, AshishOver the past decade, green chemistry has emphasized the need for preserving human health and the environment in a cost-effective manner with the goal of minimizing the use of commercially available toxic and dangerous corrosion inhibitors. Numerous researchers have subsequently concentrated on plant extracts as these are emerging as renewable, low-cost, widely available, and eco-friendly alternatives to existing toxic chemical corrosion inhibitors and thereby avoid revenue losses due to metallic corrosion of industrial equipment, appliances, or substrates. The availability of various functional groups of phytochemicals such as alkaloids, lipids, phenolic acids, saponins, quercetin, terpenoids, and other compounds allow their active participation in the adsorption process on the metallic surface in the presence of a corrosive environment to function as progressive corrosion inhibitors. This chapter briefly discusses the recent advances made in the use of eco-friendly plant extracts as green corrosion inhibitors for metals and their alloys in aggressive media. The effects of immersion time and temperature on the corrosion behavior of metals in the corrosive environment with the addition of extracts were also studied. Furthermore, the most important metrics for extract preparation, as well as ways to evaluate their inhibitory efficiency using a precise mechanism, have been highlighted. Finally, a critical analysis is presented together with an outlook on future directions. © 2023 Elsevier Inc. All rights reserved.Öğe Plant extracts as environmentally sustainable corrosion inhibitors II(Elsevier, 2022) Thakur, Abhinay; Assad, Humira; Kaya, Savaş; Kumar, AshishCorrosion control of metals is an important activity of technical, economic, environmental, and aesthetical growth. Plant extracts have traditionally emerged as eco-friendly, readily available, renewable and cost-effective substitutes for pre-existing toxic chemical corrosion inhibitors. Availability of various functional groups of phytochemicals such as alkaloids, lipids, phenolic acids, saponin, quercetin, terpenoids, and other compounds actively participate in the adsorption process on the metallic surface in the presence of a corrosive environment to function as corrosion inhibitors. This chapter aims is to delineate the potential of plant extracts, gums, essential oils to inhibit the corrosion on different metal surface. The effects of temperature, concentration on the corrosion behavior of metals in corrosive environment with the addition of extracts, were also studied. Additionally, the inhibition potential of these green corrosion inhibitors, including the techniques used to evaluate them and the relative inhibition mechanisms, are discussed. Finally, a critical analysis is addressed together with the outlook as regards future progressions. © 2022 Elsevier Inc. All rights reserved.Öğe Recent advancements in biosensing and biosensors(Elsevier, 2023) Thakur, Abhinay; Assad, Humira; Kaya, Savas; Kumar, AshishBiosensors research is a rapidly expanding discipline with vast numbers of articles published over the years and is a market worth billions of dollars. The use of biosensors has become critical in the fields of drug development, agriculture, biomedicine, food safety standards, and environmental monitoring. These biosensors have a range of vital features, including operational simplicity, high sensitivity, low-cost instrumentation, automation possibilities, and inherent miniaturization, such as biomarkers. Biosensors are important in the identification of biomarkers because they are simple to use and portable and allow real-time analysis. A powerful biomarker-based cancer diagnosis could improve early detection and intervention tremendously. Combining nanotechnology with biosensor systems could also improve diagnostic capability. This chapter discusses several biosensors and biosensing-based applications that are intended to promote science for the benefit of humans in various sectors. © 2023 Elsevier Inc. All rights reserved.Öğe Recent Advancements in Surface Modification, Characterization and Functionalization for Enhancing the Biocompatibility and Corrosion Resistance of Biomedical Implants(Mdpi, 2022) Thakur, Abhinay; Kumar, Ashish; Kaya, Savas; Marzouki, Riadh; Zhang, Fan; Guo, LeiMetallic materials are among the most crucial engineering materials widely utilized as biomaterials owing to their significant thermal conductivity, mechanical characteristics, and biocompatibility. Although these metallic biomedical implants, such as stainless steel, gold, silver, dental amalgams, Co-Cr, and Ti alloys, are generally used for bone tissue regeneration and repairing bodily tissue, the need for innovative technologies is required owing to the sensitivity of medical applications and to avoid any potential harmful reactions, thereby improving the implant to bone integration and prohibiting infection lea by corrosion and excessive stress. Taking this into consideration, several research and developments in biomaterial surface modification are geared toward resolving these issues in bone-related medical therapies/implants offering a substantial influence on cell adherence, increasing the longevity of the implant and rejuvenation along with the expansion in cell and molecular biology expertise. The primary objective of this review is to reaffirm the significance of surface modification of biomedical implants by enlightening numerous significant physical surface modifications, including ultrasonic nanocrystal surface modification, thermal spraying, ion implantation, glow discharge plasma, electrophoretic deposition, and physical vapor deposition. Furthermore, we also focused on the characteristics of some commonly used biomedical alloys, such as stainless steel, Co-Cr, and Ti alloys.Öğe Recent Innovations in Nano Container-Based Self-Healing Coatings in the Construction Industry(Bentham Science Publ Ltd, 2022) Thakur, Abhinay; Kaya, Savas; Kumar, AshishGlobally, the maintenance and repair of infrastructure cost billions of dollars and impact the day-to-day life of people. Corrosion of infrastructure and metals used in the manufacture of goods and supplies is a major cause of deterioration in the construction industry. Nanocontainer-based self-healing coatings attract enormous scientific attention as they offer a wide range of applications in conjunction with long-lasting inhibition performance. These coatings prevent the rate of crack progression by releasing active agents from micro/nanocontainers in a controllable manner and heal crack, thereby mitigating corrosion. The potential of such coatings to heal local damage induced by climatic causes or by mechanical damage is a significant contributing factor to their desirability. This review is a comprehensive analysis of nanocontainers used to manufacture self-healing anticorrosive coatings as well as explains their self-healing mechanism. The technique used to develop nanocontainers such as layer-by-layer assembly of layered double hydroxide has been clarified. An attempt has also been made to cover the latest developments in the manufacture of nanocontainer-mediated self-healing corrosion coatings used in several construction industries.Öğe Recent Progress in the Application of Electrochemically Rechargeable Metal-air Batteries: A Focus Review(American Institute of Physics Inc., 2023) Nidhi; Thakur, Abhinay; Fatma, Ishrat; Assad, Humira; Sharma, Shveta; Ganjoo, Richika; Kaya, SavasThe metal-air battery has become the primary power source since its invention in 1840 by Smee. Maiche demonstrated functional primary Zn–air batteries utilizing a porous platinized carbon cathode in 1878, which was the outcome of several outstanding scientist's and engineers' studies and endeavors. Owing to its high density, very low self-discharge, extremely lengthy lifetime, long cycling performances, and easy maintenance, metal-air batteries are effective energy storage systems for multifunctional electronic devices, electrical power grids, and electrified transportation such as EVs. Considering the fact that this topic is quickly growing and recruiting a significant number of researchers, the construction of next-generation metal-air batteries still face significant obstacles. A number of novel chemistries have been developed, resulting in improved energy density, long-term storage capacity, stability, and sustainability. The goal of this review is to initiate the basics and current advances in the field of metal-air batteries, as well as the fundamentals behind their functionality along with its components. © 2023 American Institute of Physics Inc.. All rights reserved.Öğe Recent Trends in the Characterization and Application Progress of Nano-Modified Coatings in Corrosion Mitigation of Metals and Alloys(Mdpi, 2023) Thakur, Abhinay; Kaya, Savas; Kumar, AshishNanotechnology is a discipline of science and engineering that emphasizes developing, modifying, characterizing, and using nanoscale components in a variety of applications. Owing to their multiple advantages, including adhesion strength, surface hardness, long-term and extra-high-temperature corrosion resistance, improvement of interfacial behavior, etc., nanocoatings are efficiently utilized to minimize the influence of a corrosive environment. Additionally, nanocoatings are often applied in thinner and finer concentrations, allowing for greater versatility in instrumentation and reduced operating and maintenance costs. The exemplary physical coverage of the coated substrate is facilitated by the fine dimensions of nanomaterials and the significant density of their grounded boundaries. For instance, fabricated self-healing eco-sustainable corrosion inhibitors including PAC/CuONPs, PAC/Fe(3)O(4)NPs, and PAC/NiONPs, with uniform distributions and particulate sizes of 23, 10, and 43 nm, correspondingly, were effective in producing PAC/MONPs nanocomposites which exhibited IE% of 93.2, 88.1, 96.1, and 98.6% for carbon steel corrosion in 1M HCl at the optimum concentration of 250 ppm. Therefore, in this review, further steps are taken into the exploration of the significant corrosion-mitigation potential and applications of nanomaterial-based corrosion inhibitors and nano-modified coatings, including self-healing nanocoatings, natural source-based nanocoatings, metal/metallic ion-based nanocoatings, and carbon allotrope-based nanocoatings, to generate defensive film and protection against corrosion for several metals and alloys. These have been illuminated through the in-depth discussion on characterization techniques such as scanning electron microscopy (SEM), electrochemical impedance spectroscopy (EIS), potentiodynamic polarization (PDP), atomic force microscopy (AFM), energy dispersive spectroscopy (EDS), etc. After providing a general summary of the various types of nanomaterials and their protective mechanisms in wide corrosive media, we subsequently present a viewpoint on challenges and future directions.Öğe Study of Inhibitive Property of Pipotiazine Drug for Mild Steel in Acidic Medium(American Institute of Physics Inc., 2023) Sharma, Shveta; Ganjoo, Richika; Thakur, Abhinay; Assad, Humira; Kaya, Savas; Kumar, AshishThe corrosion inhibitory activity of the Pipotiazine drug molecule was studied on mild steel in 1M HCl with variety of research approaches as weight loss and electrochemical analysis including potentiodynamic polarization and electrochemical impedance spectroscopy techniques. Drug molecule successfully inhibit the corrosion of metallic sample. Results revealed the increased inhibition efficiency with increased concentration of Pipotiazine and at a concentration of 1000 ppm, the maximum inhibition efficiency was reached at 73% and inhibitor showed a mixed type of behavior. Protection of metallic sample was further validated with the scanning electron microscopy. Surface study also confirmed the reduction in roughness, on the addition of Pipotiazine drug molecule. © 2023 American Institute of Physics Inc.. All rights reserved.Öğe Suppressing inhibitory compounds by nanomaterials for highly efficient biofuel production: A review(Elsevier Sci Ltd, 2022) Thakur, Abhinay; Kumar, Ashish; Kaya, Savas; Vo, Dai-Viet N.; Sharma, AjitWith the rapid increase in the global population, domestic and industrial energy consumption is rising at its peak, resulting in the incessant depletion of fossil fuels such as coal, oil and gas; thus, entailing the development of sustainable technologies based on renewable raw materials. Biofuels appear to be an ideal sustainable solution that could help meet future energy supply demands while also contributing to a reduction in greenhouse gas emissions. However, the most significant hurdle in the effective production and utilization of biofuels is the formation of inhibitory compounds such as aliphatic acids, phenolic substances, ketones, alcohols and furan derivatives during the pretreatment and conversion procedure, which results in lower cell density, prolonged microbial lag time and hinders the effective production of biofuels. To address these challenges, nanomaterials are primarily utilized in biofuels production, which enhances the performance of bioprocesses used during the biomass conversion to biofuel by efficiently suppressing the inhibitory compounds formed during the conversion procedure, thus resulting in enhanced biofuel yield. This review is intended to give a brief about the several recent advances made in the utilization of various kind of nanomaterials for suppressing the inhibitory compounds of biofuel production such as bioethanol, biohydrogen and biodiesel under specific conditions. Furthermore, the role of nano-immobilized biocatalysts in suppressing inhibitory compounds has been addressed, with an emphasis on the safety issues and limitations associated with the utilization of nanomaterials in the current approach.Öğe The role of in Silico/DFT investigations in analyzing dye molecules for enhanced solar cell efficiency and reduced toxicity(Elsevier Science Inc, 2023) Kaya, Savas; Thakur, Abhinay; Kumar, AshishToxicity has been a significant concern for many materials used in the production of solar cells and generally conflicts with its efficacy. Therefore, it is crucial to develop alternative, non-toxic materials to improve the sustainability and safety of solar cell technology. In recent years, computational methods such as Conceptual density functional theory (CDFT) have been increasingly used to study the electronic structure and optical properties of toxic molecules such as dyes, with the goal of designing and modifying these molecules to enhance solar cell efficiency and reduce toxicity. By applying CDFT-based chemical reactivity parameters and electronic structure rules, researchers can gain valuable insights into the performance of solar cells and optimize their design accordingly. In silico studies have been used to screen and design non-toxic dye molecules, which can improve the sustainability and safety of solar cell technology. This review article discusses the applications of CDFT in the analysis of toxic dye molecules for use in solar cells. This review also highlights the importance of using alternative, non-toxic materials in the production of solar cells. The review also discusses the limitations of CDFT and in silico studies and their potential for future research. Finally, the article concludes by emphasizing the potential of in silico/DFT investigations for accelerating the discovery of new and efficient dye molecules for enhancing solar cells' efficiency.
