Synthesis, DFT, molecular dynamics, and Monte Carlo simulation of a novel thiourea derivative with extraordinary inhibitive properties for mild steel in 0.5 M sulphuric acid-Reference-Cited by-同舟云学术

Synthesis, DFT, molecular dynamics, and Monte Carlo simulation of a novel thiourea derivative with extraordinary inhibitive properties for mild steel in 0.5 M sulphuric acid

Published:2023 Issue:13 Volume:25 Page:9532-9547
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Hegazy Ahmed M.¹^ORCID,Haiba Nesreen S.²,Awad Mohamed K.³^ORCID,Mahgoub Fatma M.¹

Affiliation:

1. Department of Materials Science, Institute of Graduate Studies and Research, Alexandria University, Egypt

2. Department of Chemistry and Physics, Faculty of Education, Alexandria University, Egypt

3. Theoretical Applied Chemistry Unit (TACU), Chemistry Department, Faculty of Science, Tanta University, Egypt

Abstract

A novel thiourea derivative has been successfully synthesizedviagreen routes and fully characterized by FT-IR,1H,13C-NMR, and elemental analysis.

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2023/CP/D3CP00139C

Reference83 articles.

1. Poly(vinyl alcohol–proline) as corrosion inhibitor for mild steel in 1M hydrochloric acid

2. R. W.Revie , Corrosion and corrosion control: an introduction to corrosion science and engineering , John Wiley & Sons , 2008

3. V.Cicek and B.Al-Numan , Corrosion chemistry , John Wiley & Sons , 2011

4. Inhibition of carbon steel corrosion in acidic solution using some newly polyester derivatives

5. N-heterocycles as corrosion inhibitors for mild steel in acid medium

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