Electrochemical and molecular modelling studies of CO2 corrosion inhibition characteristics of alkanolamine molecules for the protection of 1Cr steel

Shivangi Gupta; Kapil Kumar Gupta; Martin Andersson; Rouhollah Yazdi; Rajan Ambat

doi:10.1016/j.corsci.2021.109999

Electrochemical and molecular modelling studies of CO₂ corrosion inhibition characteristics of alkanolamine molecules for the protection of 1Cr steel

Shivangi Gupta^*
, Kapil Kumar Gupta
, Martin Andersson
, Rouhollah Yazdi
, Rajan Ambat

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

24 Scopus citations

Abstract

Effects of alkanolamine molecules on the corrosion inhibition of L80–1Cr steel were studied in a CO₂-saturated 1 wt% NaCl solution at well downhole temperatures of 20 and 80 °C. The electrochemical results showed lower corrosion rates at 20 °C, for which corrosion rates were more influenced by the alkanolamine injection. The experimental results and molecular modelling calculations using DFT revealed that alkanolamine adsorption/desorption played a determining role in the kinetics and characteristics of FeCO₃ formation. Additionally, the dependency of inhibitor efficiency on both chemical structures and adsorption energy on Fe(110), FeCO₃(104) and Fe₃C(001) was demonstrated, resulting in the highest efficiency provided by ethanolamine.

Original language	English
Article number	109999
Journal	Corrosion Science
Volume	195
DOIs	https://doi.org/10.1016/j.corsci.2021.109999
State	Published - Feb 2022
Externally published	Yes

Bibliographical note

Publisher Copyright:
© 2021 Elsevier Ltd

Keywords

A. Steel
B. EIS
B. Polarization
B. XPS
B. modelling studies

ASJC Scopus subject areas

General Chemistry
General Chemical Engineering
General Materials Science

Access to Document

10.1016/j.corsci.2021.109999

Cite this

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title = "Electrochemical and molecular modelling studies of CO2 corrosion inhibition characteristics of alkanolamine molecules for the protection of 1Cr steel",

abstract = "Effects of alkanolamine molecules on the corrosion inhibition of L80–1Cr steel were studied in a CO2-saturated 1 wt\% NaCl solution at well downhole temperatures of 20 and 80 °C. The electrochemical results showed lower corrosion rates at 20 °C, for which corrosion rates were more influenced by the alkanolamine injection. The experimental results and molecular modelling calculations using DFT revealed that alkanolamine adsorption/desorption played a determining role in the kinetics and characteristics of FeCO3 formation. Additionally, the dependency of inhibitor efficiency on both chemical structures and adsorption energy on Fe(110), FeCO3(104) and Fe3C(001) was demonstrated, resulting in the highest efficiency provided by ethanolamine.",

keywords = "A. Steel, B. EIS, B. Polarization, B. XPS, B. modelling studies",

author = "Shivangi Gupta and Gupta, \{Kapil Kumar\} and Martin Andersson and Rouhollah Yazdi and Rajan Ambat",

note = "Publisher Copyright: {\textcopyright} 2021 Elsevier Ltd",

year = "2022",

month = feb,

doi = "10.1016/j.corsci.2021.109999",

language = "English",

volume = "195",

journal = "Corrosion Science",

issn = "0010-938X",

publisher = "Elsevier Ltd.",

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TY - JOUR

T1 - Electrochemical and molecular modelling studies of CO2 corrosion inhibition characteristics of alkanolamine molecules for the protection of 1Cr steel

AU - Gupta, Shivangi

AU - Gupta, Kapil Kumar

AU - Andersson, Martin

AU - Yazdi, Rouhollah

AU - Ambat, Rajan

PY - 2022/2

Y1 - 2022/2

N2 - Effects of alkanolamine molecules on the corrosion inhibition of L80–1Cr steel were studied in a CO2-saturated 1 wt% NaCl solution at well downhole temperatures of 20 and 80 °C. The electrochemical results showed lower corrosion rates at 20 °C, for which corrosion rates were more influenced by the alkanolamine injection. The experimental results and molecular modelling calculations using DFT revealed that alkanolamine adsorption/desorption played a determining role in the kinetics and characteristics of FeCO3 formation. Additionally, the dependency of inhibitor efficiency on both chemical structures and adsorption energy on Fe(110), FeCO3(104) and Fe3C(001) was demonstrated, resulting in the highest efficiency provided by ethanolamine.

AB - Effects of alkanolamine molecules on the corrosion inhibition of L80–1Cr steel were studied in a CO2-saturated 1 wt% NaCl solution at well downhole temperatures of 20 and 80 °C. The electrochemical results showed lower corrosion rates at 20 °C, for which corrosion rates were more influenced by the alkanolamine injection. The experimental results and molecular modelling calculations using DFT revealed that alkanolamine adsorption/desorption played a determining role in the kinetics and characteristics of FeCO3 formation. Additionally, the dependency of inhibitor efficiency on both chemical structures and adsorption energy on Fe(110), FeCO3(104) and Fe3C(001) was demonstrated, resulting in the highest efficiency provided by ethanolamine.

KW - A. Steel

KW - B. EIS

KW - B. Polarization

KW - B. XPS

KW - B. modelling studies

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DO - 10.1016/j.corsci.2021.109999

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