PMID- 37704662
OWN - NLM
STAT- PubMed-not-MEDLINE
LR  - 20231119
IS  - 2045-2322 (Electronic)
IS  - 2045-2322 (Linking)
VI  - 13
IP  - 1
DP  - 2023 Sep 13
TI  - Electrochemical, surface morphological and computational evaluation on 
      carbohydrazide Schiff bases as corrosion inhibitor for mild steel in acidic 
      medium.
PG  - 15108
LID - 10.1038/s41598-023-41975-9 [doi]
LID - 15108
AB  - Anticorrosion and adsorption behaviour of synthesized carbohydrazide Schiff 
      bases, namely 
      (Z)-N'-(4-hydroxy-3-methoxybenzylidene)-6-methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carbohydrazide(MBTC) 
      and 
      (Z)-N'-(3,4-dichlorobenzylidene)-6-methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carbohydrazide 
      (CBTC) was examined for mild steel (MS) in 15% HCl medium. The corrosion 
      inhibition study was performed by using gravimetric, thermodynamic, 
      electrochemical and theoretical studies including density functional theory 
      (DFT), molecular dynamic simulation (MDS) and Monte Carlo simulations (MCS). The 
      outcomes in terms of corrosion inhibition efficiency using electrochemical 
      impedance spectroscopy (EIS) method at 303 K and 150 ppm concentration were 
      96.75% for MBTC and 95.14% for CBTC. Both inhibitors adsorbed on the MS surface 
      through physical as well as chemical adsorption and followed the Langmuir 
      isotherm. The mixed-type nature of both inhibitors was identified by polarization 
      results. Surface analysis was done using FESEM, EDX, AFM and XPS studies and 
      results showed that a protective layer of inhibitor molecules was developed over 
      the surface of MS. The results of DFT, MCS and MDS are in accordance with 
      experimental results obtained by weight loss and electrochemical methods.
CI  - (c) 2023. Springer Nature Limited.
FAU - Gupta, Sujata Kumari
AU  - Gupta SK
AD  - Department of Chemistry and Chemical Biology, Indian Institute of Technology 
      (ISM), Dhanbad, Jharkhand, 826004, India.
FAU - Mitra, R K
AU  - Mitra RK
AD  - Department of Chemistry and Chemical Biology, Indian Institute of Technology 
      (ISM), Dhanbad, Jharkhand, 826004, India.
FAU - Yadav, Mahendra
AU  - Yadav M
AD  - Department of Chemistry and Chemical Biology, Indian Institute of Technology 
      (ISM), Dhanbad, Jharkhand, 826004, India. mahendra@iitism.ac.in.
FAU - Dagdag, Omar
AU  - Dagdag O
AD  - Centre for Materials Science, College of Science, Engineering and Technology, 
      University of South Africa, Johannesburg, 1710, South Africa.
AD  - Institute of Nanotechnology and Water Sustainability, College of Science, 
      Engineering and Technology, University of South Africa, Johannesburg, 1710, South 
      Africa.
FAU - Berisha, Avni
AU  - Berisha A
AD  - Department of Chemistry, Faculty of Natural and Mathematics Science, University 
      of Prishtina, 10000, Prishtina, Kosovo.
FAU - Mamba, Bhekie B
AU  - Mamba BB
AD  - Institute of Nanotechnology and Water Sustainability, College of Science, 
      Engineering and Technology, University of South Africa, Johannesburg, 1710, South 
      Africa.
FAU - Nkambule, Thabo T I
AU  - Nkambule TTI
AD  - Institute of Nanotechnology and Water Sustainability, College of Science, 
      Engineering and Technology, University of South Africa, Johannesburg, 1710, South 
      Africa.
FAU - Ebenso, Eno E
AU  - Ebenso EE
AD  - Centre for Materials Science, College of Science, Engineering and Technology, 
      University of South Africa, Johannesburg, 1710, South Africa. 
      ebensee@unisa.ac.za.
AD  - Institute of Nanotechnology and Water Sustainability, College of Science, 
      Engineering and Technology, University of South Africa, Johannesburg, 1710, South 
      Africa. ebensee@unisa.ac.za.
FAU - Singh, Shailendra Kumar
AU  - Singh SK
AD  - Department of Chemistry, Hansraj College, University of Delhi, Delhi, 110007, 
      India.
LA  - eng
PT  - Journal Article
DEP - 20230913
PL  - England
TA  - Sci Rep
JT  - Scientific reports
JID - 101563288
SB  - IM
PMC - PMC10499881
COIS- The authors declare no competing interests.
EDAT- 2023/09/14 00:42
MHDA- 2023/09/14 00:43
PMCR- 2023/09/13
CRDT- 2023/09/13 23:21
PHST- 2023/05/24 00:00 [received]
PHST- 2023/09/04 00:00 [accepted]
PHST- 2023/09/14 00:43 [medline]
PHST- 2023/09/14 00:42 [pubmed]
PHST- 2023/09/13 23:21 [entrez]
PHST- 2023/09/13 00:00 [pmc-release]
AID - 10.1038/s41598-023-41975-9 [pii]
AID - 41975 [pii]
AID - 10.1038/s41598-023-41975-9 [doi]
PST - epublish
SO  - Sci Rep. 2023 Sep 13;13(1):15108. doi: 10.1038/s41598-023-41975-9.