Experimental and computational studies of imidazolium based ionic liquid 1-methyl- 3-propylimidazolium iodide on mild steel corrosion in acidic solution

Self Cite

Ionic liquids are compounds that consist entirely of ions. Since the last decade, ionic liquids have evolved as effective corrosion inhibitors. Ionic liquids are extensively used as potent corrosion inhibitors against metals and alloys because of their high solubility, low toxicity, low melting point, high polarity, and very high stability to thermal and chemical processes. This review would focus on the excellent inhibition properties of imidazolium-based ionic liquids, as well as the different factors that affect the inhibition efficacy of these compounds, such as the effect of chain length, molecular surface area, and position of substituents attached to the imidazolium ring, and so on. This article discusses the recently analyzed imidazolium-based ionic liquids and their inhibition mechanisms as studied by employing several techniques such as Potentiodynamic polarization, Weight loss, electrochemical impedance spectroscopy, Atomic force microscopy (AFM), Scanning electron microscopy (SEM), Density functional theory (DFT) studies, Molecular dynamics simulations and so on.

Section: Ionic Liquids As Corrosion Inhibitors For Mild Steel In 𝐻 2 ...mentioning

confidence: 82%

Section: Ionic Liquids As Corrosion Inhibitors For Mild Steel In 𝐻 2 ...mentioning

confidence: 99%

Imidazolium based ionic liquids as green corrosion inhibitors against corrosion of mild steel in acidic media

Ganjoo

Bharmal

Sharma

et al. 2022

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“…Increasing the values of the EHOMO facilitates adsorption, which facilitates adsorption inhibition [12]. Smaller the value of ΔE (difference between energies of ELUMO and EHOMO), the larger degree of bonding is present between inhibitor molecule and metallic sample [27,32,33]. Calculation of ∆E is the main criterion to depict the capacity of any molecule to behave as corrosion inhibitor but along with this value of EHOMO and global hardness and soft ness are also used in this study to analyze and compare the thiazole and its derivatives.…”

Section: Resultsmentioning

confidence: 99%

A theoretical insight to understand the structures and dynamics of thiazole derivatives

Assad

Ganjoo

Sharma

2022

Quantum chemical analysis of some Thiazole derivatives, namely (2-Chlorobenzothiazole; 5-acetyl-2,4dimethylthiazole; 2-Chlorobenzothiazole; Phthalylsulfathaizole; 2,4,5 Trimethyl thiazole) was performed by using Gaussian 9 software with semi-empirical calculation method such as density functional theory (DFT) and the basis sets used were the DFT/B3LYP methods using 6-311G (d, p). Various quantum chemical parameters such as electronic density, highest occupied molecular orbital (HOMO), lowest unoccupied molecular orbital (LUMO) energy levels, and the energy difference between highest and lowest unoccupied molecular orbitals (ELUMO-EHOMO), etc. were calculated. High EHOMO values suggests that the molecule can contribute the electrons towards bond formation; however, the lower values of ELUMO indicate that the molecule can easily accept the electrons. Besides that, the low value of the energy bandgap (ΔE) confirms the excellent inhibition efficiencies of the derivatives. Furthermore, by using these frontier orbital energies, different parameters like ionization energy, electron affinity, global hardness, electronegativity were also calculated. In this article, a theoretical study was performed only to determine the correlation between various parameters related to the electronic structure of Thiazole derivatives and their competence to mitigate the corrosion process.

“…Because of their high conductivity, low viscosity and high stability, IL's are considered as an efficient alternate for energy systems [24].…”

Section: Different Ionicmentioning

confidence: 99%

Advancement in field of Energy storage applications by using Ionic Liquids

Nidhi

Kaur

2022

Now-a-days the storage and power demands are increasing at a very rapid speed and system has evolved in the form of batteries and other storage devices which lacks some safety measures as well as electrochemical stability factors. As a class of novel media, Ionic liquids pursuing a specific set of properties had made them suitable for a number of energy related applications and modifications in their properties. So to overcome the challenges faced by the storage device, substitution of electrolytes of these devices by Ionic liquid mainly known as green solvents, has proven out to be a promising field by enhancing their properties. This article throws a light on the advancement and development of energy storage applications by the material used i.e., Ionic liquids providing a stable and friendly electrolyte system along with the modified storage system with increased thermochemical and other stability factors.