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Experimental and computational studies on the corrosion inhibition potential of a novel synthesized thiophene and pyridine-based 1,3,4-oxadiazole hybrid against mild steel corrosion in 1 N HCl.
Sharma, Deepak; Thakur, Abhinay; Sharma, Manish Kumar; Bhardwaj, Anand; Sihmar, Ashish; Dahiya, Hariom; Sharma, Ashok Kumar; Kumar, Ashish; Berisha, Avni; Om, Hari.
Afiliación
  • Sharma D; Department of Chemistry, Deenbandhu Chhotu Ram University of Science & Technology, Murthal, 131039, India.
  • Thakur A; Department of Chemistry, School of Chemical Engineering and Physical Sciences, Lovely Professional University, Phagwara, 144411, India.
  • Sharma MK; Department of Chemistry, Deenbandhu Chhotu Ram University of Science & Technology, Murthal, 131039, India.
  • Bhardwaj A; P.D. Patel Institute of Applied Sciences, Charotar University of Science & Technology, Changa, 388421, India.
  • Sihmar A; Department of Material Science and Engineering, KTH Royal Institute of Technology, 11428, Stockholm, Sweden.
  • Dahiya H; Department of Chemistry, M. D. University, Rohtak, 124001, India.
  • Sharma AK; Department of Chemistry, M. D. University, Rohtak, 124001, India.
  • Kumar A; Department of Chemistry, Deenbandhu Chhotu Ram University of Science & Technology, Murthal, 131039, India.
  • Berisha A; Nalanda College of Engineering, Bihar Engineering University, Department of Science, Technology and Technical Education, Government of Bihar, Nalanda, 803108, India.
  • Om H; Department of Chemistry, Faculty of Natural and Mathematics Science, University of Prishtina, 10000, Prishtina, Kosovo.
Environ Sci Pollut Res Int ; 2024 Mar 06.
Article en En | MEDLINE | ID: mdl-38446299
ABSTRACT
A convenient synthesis of a novel 1,3,4-oxadiazole derivative, specifically known as, 2-(5-methylthiophen-2-yl)-5-(pyridin-3-yl)-1,3,4-oxadiazole (MTPO), is reported along with a comprehensive evaluation of its ability to inhibit the corrosion of mild steel (MS) in a 1 N HCl environment using weight loss, EIS, PDP, SEM, EDX, and UV-Vis spectroscopy. The investigated inhibitor expressed excellent inhibition efficiency (99.05% at 500 ppm, 298 K) with a mixed-type inhibitory mechanism as demonstrated by the PDP technique. Furthermore, MTPO followed Langmuir adsorption isotherm, which provides insights into the adsorption phenomena, demonstrating that it exhibits superior adsorption behavior on the MS surface compared. In silico investigations, using DFT computation and MD simulation complements the experimental outcomes revealing strong adsorbing attributes of the MTPO hybrid with the ω - and ω + values of 8.8882 eV and 4.4787 eV, respectively. In addition, the radial distribution function also addressed the chemisorption behavior of MTPO. This article also takes into consideration the various ways in which the inhibitor interacts with the mild steel, offering potential insights for developing strategies to mitigate metal dissolution in acidic environments.
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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: Environ Sci Pollut Res Int Asunto de la revista: SAUDE AMBIENTAL / TOXICOLOGIA Año: 2024 Tipo del documento: Article País de afiliación: India Pais de publicación: Alemania
Texto completo
Añadir a Mi BVS
Imprimir
XML
PubMed Links
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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: Environ Sci Pollut Res Int Asunto de la revista: SAUDE AMBIENTAL / TOXICOLOGIA Año: 2024 Tipo del documento: Article País de afiliación: India Pais de publicación: Alemania