Plant extracts as bio-based anticorrosive materials

Thakur, Abhinay; Assad, Humira; Kumar, Ashish

doi:10.1016/b978-0-323-91684-4.00010-4

Cited by 4 publications

(1 citation statement)

References 81 publications

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“…Corrosion can lead to safety risks, especially in critical infrastructures such as bridges, pipelines, and aircraft [4]. Furthermore, traditional corrosion inhibitors have been associated with environmental toxicity and limited efficiency across varying corrosive environments, necessitating a quest for alternative, more versatile, and ecofriendly solutions [5,6].…”

Section: Introductionmentioning

confidence: 99%

Computational Exploration of Phenolic Compounds in Corrosion Inhibition: A Case Study of Hydroxytyrosol and Tyrosol

Lgaz,

Lee

2023

Materials

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The corrosion of materials remains a critical challenge with significant economic and infrastructural impacts. A comprehensive understanding of adsorption characteristics of phytochemicals can facilitate the effective design of high-performing environmentally friendly inhibitors. This study conducted a computational exploration of hydroxytyrosol (HTR) and tyrosol (TRS) (potent phenolic compounds found in olive leaf extracts), focusing on their adsorption and reactivity on iron surfaces. Utilizing self-consistent-charge density-functional tight-binding (SCC-DFTB) simulations, molecular dynamics (MD) simulations, and quantum chemical calculations (QCCs), we investigated the molecules’ structural and electronic attributes and interactions with iron surfaces. The SCC-DFTB results highlighted that HTR and TRS coordinated with iron atoms when adsorbed individually, but only HTR maintained bonding when adsorbed alongside TRS. At their individual adsorption, HTR and TRS had interaction energies of −1.874 and −1.598 eV, which became more negative when put together (−1.976 eV). The MD simulations revealed parallel adsorption under aqueous and vacuum conditions, with HTR demonstrating higher adsorption energy. The analysis of quantum chemical parameters, including global and local reactivity descriptors, offered crucial insights into molecular reactivity, stability, and interaction-prone atomic sites. QCCs revealed that the fraction of transferred electron ∆N aligned with SCC-DFTB results, while other parameters of purely isolated molecules failed to predict the same. These findings pave the way for potential advancements in anticorrosion strategies leveraging phenolic compounds.

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Section: Introductionmentioning

confidence: 99%

Computational Exploration of Phenolic Compounds in Corrosion Inhibition: A Case Study of Hydroxytyrosol and Tyrosol

Lgaz,

Lee

2023

Materials

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An overview of contemporary developments and the application of graphene-based materials in anticorrosive coatings

Assad,

Lone,

Sihmar

et al. 2023

Environ Sci Pollut Res

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Revitalizing agriculture with the potential of cashew nutshell liquid: a comprehensive exploration and synergy with AI

Nayak,

Hegde,

Rao

et al. 2024

Discov Appl Sci

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The cashew industry produces extremely toxic effluent that seriously endangers life. Furthermore, cashew nut shell liquid (CNSL) a by-product, from the cashew industry is underutilized resulting in its presence in effluent. This liquid is extremely toxic and poses a threat to the environment if discharged without removal. Therefore, this comprehensive review delves into the intricacies of cashew nut processing, with a particular focus on the production of CNSL, its chemical profiling, and the imperative need for thorough characterization to ascertain its chemical composition. The manuscript underscores the potential of CNSL as a promising solution in the agricultural sector due to its skyrocketing potential as an insecticidal, fungicidal, antioxidant, anticorrosive, and termite resistant, and its ability to be blended with biodiesel as it improves lubrication properties in comparison with traditional diesel and helps extend the lifespan of engines, further necessitating minimal maintenance. It explores the necessity for chemical modifications in CNSL, presenting recent insights and advancements, particularly in the realm of phyto-nano-emulsions of CNSL with increased bioavailability. Additionally, it highlights the burgeoning role of artificial intelligence and machine learning models in predicting CNSL emissions, yield, crop health, and cashew kernel quality checks, offering a holistic decision support system for supply chain optimization. By succinctly mapping out the roadmap for CNSL production, chemical enhancements, and its application as an antifungal agent, the manuscript advocates for the integration of AI and ML to enhance agricultural outcomes and boost farmers' profits.

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Plant extracts as bio-based anticorrosive materials

Cited by 4 publications

References 81 publications

Computational Exploration of Phenolic Compounds in Corrosion Inhibition: A Case Study of Hydroxytyrosol and Tyrosol

Computational Exploration of Phenolic Compounds in Corrosion Inhibition: A Case Study of Hydroxytyrosol and Tyrosol

An overview of contemporary developments and the application of graphene-based materials in anticorrosive coatings

Revitalizing agriculture with the potential of cashew nutshell liquid: a comprehensive exploration and synergy with AI

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