Aloe polysaccharide as an eco-friendly corrosion inhibitor for mild steel in simulated acidic oilfield water: Experimental and theoretical approaches

Zhang, Weiwei; Ma, Yao; Chen, Liwei; Wang, Limin; Wu, Yan‐Chao; Li, Hui‐Jing

doi:10.1016/j.molliq.2020.112950

Cited by 58 publications

(22 citation statements)

References 38 publications

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“…The adsorption model of S-zwitterion is illustrated in Figure 5c. Aside from that, it was also found that there was no significant difference in adsorption behaviour for Fe (110) and α-Fe 2 O 3 (110) surface. [51].…”

Section: Application Of Molecular Dynamics Simulation For Corrosion I...mentioning

confidence: 87%

“…In normal temperature and pressure, iron exists as bodycentred cubic (bcc) structure with ( 110), ( 100), ( 211), ( 311), ( 111), ( 321) and (210) as the most densely packed surfaces as depicted in Figure 3. Typically, a Fe (110) surface is used as the adsorption site for simulation of corrosion inhibitor adsorption because it contributes the largest area of the Fe crystal and is the most thermodynamically stable facet among the others [53][54][55][56][57][58]. Contrarily, Zhu et al [59] demonstrated the use of Fe(100) surface as the adsorption site for 2-aminobenzimidazole derivative inhibitor.…”

Section: Construction Of a Corrosion Systemmentioning

confidence: 99%

“…Contrarily, Zhu et al [59] demonstrated the use of Fe(100) surface as the adsorption site for 2-aminobenzimidazole derivative inhibitor. The order of surface energy of the iron surface is Fe(110) < Fe(100) < Fe (111), which makes Fe (110) to be the most stable, followed by Fe(100) and Fe (111) facets [60]. Regardless of the type of ferrous metal (carbon steel, alloy steel or stainless steel) studied experimentally, pure iron atoms instead of a mixture of iron with alloying elements are usually used for theoretical studies [11,38,[61][62][63].…”

Section: Construction Of a Corrosion Systemmentioning

confidence: 99%

“…Haque et al carried out an experimental and an MD simulation to elucidate the inhibition of mild steel corrosion in 1 M hydrochloric acid (HCl) by two synthesized amino acid derivatives; hydroxyl-containing zwitterion (H-zwitterion) and sulfur-containing zwitterion (S-zwitterion) [54]. Two types of adsorption sites that represent the metal surface was used in the simulation for comparison purposes; neutral Fe (110) and α-Fe 2 O 3 (110). The MD simulation results revealed that both inhibitors were adsorbed in a planar position with both surfaces (Figure 5a,b).…”

Section: Application Of Molecular Dynamics Simulation For Corrosion I...mentioning

confidence: 99%

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An Overview of Molecular Dynamic Simulation for Corrosion Inhibition of Ferrous Metals

Haris

Sobri

Yusof

et al. 2020

Metals

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Molecular dynamics (MD) simulation is a powerful tool to study the molecular level working mechanism of corrosion inhibitors in mitigating corrosion. In the past decades, MD simulation has emerged as an instrument to investigate the interactions at the interface between the inhibitor molecule and the metal surface. Combined with experimental measurement, theoretical examination from MD simulation delivers useful information on the adsorption ability and orientation of the molecule on the surface. It relates the microscopic characteristics to the macroscopic properties which enables researchers to develop high performance inhibitors. Although there has been vast growth in the number of studies that use molecular dynamic evaluation, there is still lack of comprehensive review specifically for corrosion inhibition of organic inhibitors on ferrous metal in acidic solution. Much uncertainty still exists on the approaches and steps in performing MD simulation for corrosion system. This paper reviews the basic principle of MD simulation along with methods, selection of parameters, expected result such as adsorption energy, binding energy and inhibitor orientation, and recent publications in corrosion inhibition studies.

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Section: Application Of Molecular Dynamics Simulation For Corrosion I...mentioning

confidence: 87%

Section: Construction Of a Corrosion Systemmentioning

confidence: 99%

Section: Construction Of a Corrosion Systemmentioning

confidence: 99%

Section: Application Of Molecular Dynamics Simulation For Corrosion I...mentioning

confidence: 99%

See 2 more Smart Citations

An Overview of Molecular Dynamic Simulation for Corrosion Inhibition of Ferrous Metals

Haris

Sobri

Yusof

et al. 2020

Metals

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“…The dE ads /dN i is the adsorption energy if one of the adsorbates was eliminated (Zhang et al, 2020). The dE ads /dN i values for hydronium ions, water molecules, and Cl − ions are smaller than the values of the CSM and CSD molecules, suggesting that the strong adsorption of the CSM and CSD is higher than that of water molecules, hydronium ions, and Cl − ions.…”

Section: Simulationsmentioning

confidence: 99%

Novel Natural Surfactant-Based Fatty Acids and Their Corrosion-Inhibitive Characteristics for Carbon Steel-Induced Sweet Corrosion: Detailed Practical and Computational Explorations

et al. 2022

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Steel alloys are significant industrial substances, but they generally suffer severe corrosion under harsh conditions. Using inhibitors is an efficacious method to impede corrosion. So, in this study, two novel natural surfactants based on soybean oil have been synthesized by a facile route, namely, 1-(bis(2-hydroxyethyl)amino)-1-oxooctadecan-9-yl sulfate 2-hydroxyethan-1-aminium (CSM) and–N-(C2H4-OH)2; 1-(bis(2-hydroxyethyl)amino)-1-oxooctadecan-9-yl sulfate bis(2-hydroxyethyl)aminium (CSD), and their chemical structures were elucidated by physical–chemical approaches, Fourier transform infrared (FT-IR) spectroscopy, and surface activity measurements. The inhibitive effect of natural surfactants (CSM and CSD) on the C-steel corrosion in CO2-saturated 3.5% NaCl has been estimated in this investigation by electrochemical and surface analyses including electrochemical impedance spectroscopy (EIS), potentiodynamic polarization (PDP), linear polarization resistance (LPR) corrosion rate, X-ray photoelectron spectroscopy (XPS), and field-emission scanning electron microscope/energy-dispersive X-ray spectroscopy (FESEM/EDX) approaches. The EIS study reveals the value of Rp augmented to an increase of 913.5 Ω cm2 with a protection capacity of 96.1% at 150 ppm (CSD). The outcomes of PDP suggested that CSM and CSD are mixed-type inhibitors. XPS and FESEM/EDX analyses determined the protective film formation on a metal interface having undamaged surface morphology and more homogeneities in the occurrence of the surfactant. Moreover, the adsorption of natural surfactants on the metal substrate takes place based on the model of Langmuir isotherm. Density functional theory (DFT) calculations and Monte Carlo (MC) simulations were selected for attaining basic atomic/electronic-scale details about the prepared surfactants, which support the practical findings. This study is intended to investigate the protection of C-steel using sweet service conditions with green extract surfactants.

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Biopolymers as Corrosion Inhibitors

Nascimento

Furtado

Guimarães

2023

Grafted Biopolymers as Corrosion Inhibitors

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Aloe polysaccharide as an eco-friendly corrosion inhibitor for mild steel in simulated acidic oilfield water: Experimental and theoretical approaches

Cited by 58 publications

References 38 publications

An Overview of Molecular Dynamic Simulation for Corrosion Inhibition of Ferrous Metals

An Overview of Molecular Dynamic Simulation for Corrosion Inhibition of Ferrous Metals

Novel Natural Surfactant-Based Fatty Acids and Their Corrosion-Inhibitive Characteristics for Carbon Steel-Induced Sweet Corrosion: Detailed Practical and Computational Explorations

Biopolymers as Corrosion Inhibitors

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