Exploring the potential role of pyrazoline derivatives in corrosion inhibition of mild steel in hydrochloric acid solution: Insights from experimental and computational studies

Hassane Lgaz, Sourav Kr Saha, Abdelkarim Chaouiki, K. Subrahmanya Bhat, Rachid Salghi, Shubhalaxmi, Priyabrata Banerjee, Ismat H. Ali, Mohammad I. Khan, Ill Min Chung

Research output: Contribution to journalArticle

Abstract

Iron and its alloys are commonly used materials in petroleum refining facilities. However, poor corrosion resistance is always a disturbing problem for these industries. Herein, we demonstrated the utility of two pyrazoline derivatives (PYRs), namely, 2-(4-(4,5-dihydro-3-(4-methoxyphenyl)-1H-pyrazol-5-yl)phenoxy)acetic acid (PYR-1) and 2-(4-(4,5-dihydro-3-p-tolyl-1H-pyrazol-5-yl)phenoxy)acetic acid (PYR-2) for enhancing mild steel (MS) resistance in 1.0 M HCl using chemical, electrochemical, scanning electron microscope (SEM), X-ray photoelectron spectroscopy (XPS), and computational techniques. Weight loss measurements revealed that the optimum concentration of inhibitors is 5 mM. The maximum inhibition efficiencies (based on electrochemical results) were obtained 94% and 88% for PYR-1 and PYR-2, respectively. Pyrazolines retard corrosion at room temperatures and show high inhibition efficiency at higher temperatures, (above 90% at 333 K). XPS results showed that these compounds could effectively inhibit acid attack through physical and chemical adsorption on the metal surface. PYRs adsorption onto the steel surface follows Langmuir adsorption model. Electrochemical results revealed that the new compounds could exhibit excellent corrosion inhibition performance and displayed mixed-type inhibition. The performances of inhibitor films and the potential mechanisms were also investigated theoretically using MD simulation, radial distribution function (RDF), mean square displacement (MSD) and free volume theory. The present results will be helpful to uncover the versatile importance of pyrazoline compounds in the corrosion inhibition process.

Original languageEnglish
Article number117320
JournalConstruction and Building Materials
Volume233
DOIs
Publication statusPublished - 10-02-2020

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Hydrochloric Acid
Hydrochloric acid
Carbon steel
Corrosion
Derivatives
Adsorption
Acetic acid
Acetic Acid
X ray photoelectron spectroscopy
Petroleum refining
Iron alloys
Steel
Free volume
Distribution functions
Corrosion resistance
Electron microscopes
Iron
Metals
Scanning
Temperature

All Science Journal Classification (ASJC) codes

  • Civil and Structural Engineering
  • Building and Construction
  • Materials Science(all)

Cite this

Lgaz, Hassane ; Saha, Sourav Kr ; Chaouiki, Abdelkarim ; Bhat, K. Subrahmanya ; Salghi, Rachid ; Shubhalaxmi ; Banerjee, Priyabrata ; Ali, Ismat H. ; Khan, Mohammad I. ; Chung, Ill Min. / Exploring the potential role of pyrazoline derivatives in corrosion inhibition of mild steel in hydrochloric acid solution : Insights from experimental and computational studies. In: Construction and Building Materials. 2020 ; Vol. 233.
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abstract = "Iron and its alloys are commonly used materials in petroleum refining facilities. However, poor corrosion resistance is always a disturbing problem for these industries. Herein, we demonstrated the utility of two pyrazoline derivatives (PYRs), namely, 2-(4-(4,5-dihydro-3-(4-methoxyphenyl)-1H-pyrazol-5-yl)phenoxy)acetic acid (PYR-1) and 2-(4-(4,5-dihydro-3-p-tolyl-1H-pyrazol-5-yl)phenoxy)acetic acid (PYR-2) for enhancing mild steel (MS) resistance in 1.0 M HCl using chemical, electrochemical, scanning electron microscope (SEM), X-ray photoelectron spectroscopy (XPS), and computational techniques. Weight loss measurements revealed that the optimum concentration of inhibitors is 5 mM. The maximum inhibition efficiencies (based on electrochemical results) were obtained 94{\%} and 88{\%} for PYR-1 and PYR-2, respectively. Pyrazolines retard corrosion at room temperatures and show high inhibition efficiency at higher temperatures, (above 90{\%} at 333 K). XPS results showed that these compounds could effectively inhibit acid attack through physical and chemical adsorption on the metal surface. PYRs adsorption onto the steel surface follows Langmuir adsorption model. Electrochemical results revealed that the new compounds could exhibit excellent corrosion inhibition performance and displayed mixed-type inhibition. The performances of inhibitor films and the potential mechanisms were also investigated theoretically using MD simulation, radial distribution function (RDF), mean square displacement (MSD) and free volume theory. The present results will be helpful to uncover the versatile importance of pyrazoline compounds in the corrosion inhibition process.",
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Exploring the potential role of pyrazoline derivatives in corrosion inhibition of mild steel in hydrochloric acid solution : Insights from experimental and computational studies. / Lgaz, Hassane; Saha, Sourav Kr; Chaouiki, Abdelkarim; Bhat, K. Subrahmanya; Salghi, Rachid; Shubhalaxmi; Banerjee, Priyabrata; Ali, Ismat H.; Khan, Mohammad I.; Chung, Ill Min.

In: Construction and Building Materials, Vol. 233, 117320, 10.02.2020.

Research output: Contribution to journalArticle

TY - JOUR

T1 - Exploring the potential role of pyrazoline derivatives in corrosion inhibition of mild steel in hydrochloric acid solution

T2 - Insights from experimental and computational studies

AU - Lgaz, Hassane

AU - Saha, Sourav Kr

AU - Chaouiki, Abdelkarim

AU - Bhat, K. Subrahmanya

AU - Salghi, Rachid

AU - Shubhalaxmi,

AU - Banerjee, Priyabrata

AU - Ali, Ismat H.

AU - Khan, Mohammad I.

AU - Chung, Ill Min

PY - 2020/2/10

Y1 - 2020/2/10

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AB - Iron and its alloys are commonly used materials in petroleum refining facilities. However, poor corrosion resistance is always a disturbing problem for these industries. Herein, we demonstrated the utility of two pyrazoline derivatives (PYRs), namely, 2-(4-(4,5-dihydro-3-(4-methoxyphenyl)-1H-pyrazol-5-yl)phenoxy)acetic acid (PYR-1) and 2-(4-(4,5-dihydro-3-p-tolyl-1H-pyrazol-5-yl)phenoxy)acetic acid (PYR-2) for enhancing mild steel (MS) resistance in 1.0 M HCl using chemical, electrochemical, scanning electron microscope (SEM), X-ray photoelectron spectroscopy (XPS), and computational techniques. Weight loss measurements revealed that the optimum concentration of inhibitors is 5 mM. The maximum inhibition efficiencies (based on electrochemical results) were obtained 94% and 88% for PYR-1 and PYR-2, respectively. Pyrazolines retard corrosion at room temperatures and show high inhibition efficiency at higher temperatures, (above 90% at 333 K). XPS results showed that these compounds could effectively inhibit acid attack through physical and chemical adsorption on the metal surface. PYRs adsorption onto the steel surface follows Langmuir adsorption model. Electrochemical results revealed that the new compounds could exhibit excellent corrosion inhibition performance and displayed mixed-type inhibition. The performances of inhibitor films and the potential mechanisms were also investigated theoretically using MD simulation, radial distribution function (RDF), mean square displacement (MSD) and free volume theory. The present results will be helpful to uncover the versatile importance of pyrazoline compounds in the corrosion inhibition process.

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