Experimental and theoretical studies of four allyl imidazolium-based ionic liquids as green inhibitors for copper corrosion in sulfuric acid

Qiang, Yujie; Zhang, Shengtao; Guo, Lei; Zheng, Xiaofeng; Xiang, Bin; Chen, Shijin

doi:10.1016/j.corsci.2017.02.021

Cited by 492 publications

(137 citation statements)

References 38 publications

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“…Lower values of Δ [45] suggest better adsorption and then better inhibition efficiency. In our case (Δ = 5.140 eV) can be considered [46][47][48] as a low value when compared with other values in the literature.…”

Section: Quantum Chemical Approachmentioning

confidence: 74%

Inhibition of Aluminium Corrosion in 1.0 M HCl by Caffeine: Experimental and DFT Studies

Beda

Niamien

Bile

et al. 2017

Advances in Chemistry

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Aluminium corrosion inhibition in 1.0 M hydrochloric acid solution by caffeine has been studied using mass loss technique and quantum chemical calculations based on DFT. The inhibition efficiency was found to increase with increasing concentration of caffeine but decreases with a rise in temperature. The molecule shows the highest inhibition efficiency of 74% at 10 −2 M for = 303 K. The experimental data were used to fit isotherms including Langmuir, Temkin, Freundlich, and El-Awady. The best fits were obtained with the Langmuir model and the kinetic-thermodynamic adsorption model of El-Awady. However, it was found that the adsorption parameters suit well with the isotherm of El-Awady which was chosen as the appropriate isotherm. To distinguish between physisorption and chemisorption, the Dubinin-Radushkevich adsorption model was used. The thermodynamic parameters governing the adsorption of caffeine onto aluminium and that of the metal dissolution were calculated and discussed. DFT study gave further insight into the mechanism of the inhibiting action of caffeine.

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Section: Quantum Chemical Approachmentioning

confidence: 74%

Inhibition of Aluminium Corrosion in 1.0 M HCl by Caffeine: Experimental and DFT Studies

Beda

Niamien

Bile

et al. 2017

Advances in Chemistry

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“…23 from charge transfer, whereas the inductive loop may be attributed to mass transport relaxation in solid phase on alloy surface. [24][25][26] As shown in Fig.…”

Section: Resultsmentioning

confidence: 99%

Investigation of Sodium Phosphate and Sodium Dodecylbenzenesulfonate as Electrolyte Additives for AZ91 Magnesium-Air Battery

Wang

et al. 2018

J. Electrochem. Soc.

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This paper reports on the improvement of discharge performances of magnesium-air batteries by adding sodium phosphate and sodium dodecylbenzenesulfonate to sodium chloride aqueous solution. Four different electrolytes are tested. Results obtained show that the discharge potential and anode utilization of magnesium-air battery increase significantly with addition of the additives. With an electrolyte of 3.5 wt% sodium chloride+0.5 g · L −1 sodium phosphate, the discharge potential increases from 1.120 V to 1.150 V and the anode utilization increases from 44.1% to 49.1%. The self-corrosion rate of anode has a tendency to decrease with addition of the additives. In solution of 3.5 wt% sodium chloride+0.5 g · L −1 sodium dodecylbenzenesulfonate +0.5g · L −1 sodium phosphate, the self-corrosion is low and the inhibition efficiency can reach 95.2%. Magnesium-air (Mg-air) battery plays an increasingly significant role in power source energy and storage devices.1,2 There are lots of advantages of Mg-air battery, such as high theoretical potential (3.09 V), high specific energy density (6.8 kWh · kg −1 ), neutral electrolyte, environmental friendliness, and low cost. 3-5Although Mg-air battery has a promising future, there are still some problems remarkably limiting its development and delaying its application in daily life. One of the major problems is anodic polarization during battery discharge. [6][7][8] As the total reaction of Mgair battery (Eq. 1) shows:The discharge product is magnesium hydroxide which has a tendency to attach to the surface of anode. It can reduce the reactionsurface area leading to a decrease of discharge potential when battery discharges in a constant-current mode. As we all know, the potential of Mg is −2.37 V (vs · SHE) and it can react spontaneously with aqueous solution according to the following equation:This wasteful self-corrosion leads to low utilization efficiency during discharge process. 9,10 There are numerous efforts to reduce selfcorrosion of magnesium, focusing either on how to improve anode behaviors [11][12][13] or how to optimize electrolyte composition. 14,15 Compared to studies for anode improvement, there are few studies aimed at electrolyte optimization. Furthermore, adding additives to the electrolyte is known to be a convenient and effective method. For example, the self-discharge capacity is significantly increased by adding water soluble graphene to NaCl solution.14 Jing et al. 15 found that when NaF and Na 3 PO 4 were used as additives to electrolyte Mg-MnO 2 cell demonstrated an excellent discharge performance. And sodium dodecylbenzenesulfonate (SDBS) as a good organic inhibitor can work together with the Na 2 SiO 3 on the AZ31 magnesium alloy in 1% NaCl. 16Although electrolyte is one of the most crucial factors, additive research is few comparing the anode materials. Up to now, Mg-air batteries with Na 3 PO 4 and SDBS as additives have never been studied. It is known that sodium chloride aqueous solution (3.5% NaCl) is the most suitable electrolyte for Mg-air batt...

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“…The interaction between the NTA‐ n and the Fe (1 0 0) surface was assumed within a simulation box (56.3294 × 56.3294 × 32.8164 Å) using COMPASS force field with periodic boundary conditions . All three layers of Fe atoms were kept “frozen” at fixed Cartesian positions, and only one inhibitor molecule was allowed to adsorb freely on the Fe (1 0 0) surface. A simulation temperature of 298K and NVT canonical ensemble with a time step of 1.0 fs and a total simulation time of 500 ps were implemented in all MD simulations.…”

Section: Experimental Methodsmentioning

confidence: 99%

New surfactants N‐alkyl‐N,N‐dimethyl‐N‐(3‐thienylmethylene)ammonium bromides: Preparation and anticorrosion evaluation

Chen

Jiang

Cheng

et al. 2019

Materials & Corrosion

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A new series of N‐alkyl‐N,N‐dimethyl‐N‐(3‐thienylmethylene)ammonium bromides (designated as NTA‐n, n = 8, 10, 12, 14, and 16) were synthesized. The electrochemical impedance spectroscopy (EIS) and potentiodynamic polarization showed that NTA‐n could protect availably X70 steel from attack of HCl with an inhibition efficiency of about 95%. And the inhibition ability follows the following sequence: NTA‐8 < NTA‐10 < NTA‐12 < NTA‐14 < NTA‐16, suggesting that prolonging alkyl chain may enhance the inhibition capacity of the molecules. Theoretical investigation backs up well the experiment results. The correlation of theoretical calculation with the experiment results illustrated clearly double logarithmic relations between the corrosion current and the computed quantum chemical parameters such as the highest occupied molecular orbital energy ( E HOMO), energy gap (ΔE), molecular volume ( ν), electronegativity ( χ), the total energy of iron crystal with the adsorbed inhibitor molecule ( E total), the interaction energy of Fe (1 0 0) surface and inhibitor molecules ( E inhibitor), while an equation resembling Hammet relation was existed between the corrosion currents and the fraction of electrons transfer (ΔN). These linear correlations suggest the relation of the inhibitor structure with its inhibition activity: long alkyl chain and electron donating groups in NTA‐n will enhance the corrosion efficiency.

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Experimental and theoretical studies of four allyl imidazolium-based ionic liquids as green inhibitors for copper corrosion in sulfuric acid

Cited by 492 publications

References 38 publications

Inhibition of Aluminium Corrosion in 1.0 M HCl by Caffeine: Experimental and DFT Studies

Inhibition of Aluminium Corrosion in 1.0 M HCl by Caffeine: Experimental and DFT Studies

Investigation of Sodium Phosphate and Sodium Dodecylbenzenesulfonate as Electrolyte Additives for AZ91 Magnesium-Air Battery

New surfactants N‐alkyl‐N,N‐dimethyl‐N‐(3‐thienylmethylene)ammonium bromides: Preparation and anticorrosion evaluation

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