DFT Calculation and MD Simulation Studies on Gemini Surfactant Corrosion Inhibitor in Acetic Acid Media

Gemini surfactant corrosion inhibitor (CI) is one type of CI mainly used in mitigating corrosion in the complex system of oil/gas production industries. Computer modeling methods such as density functional theory (DFT) calculation and molecular dynamic (MD) simulation are required to develop new CI...

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Detalles Bibliográficos
Autores principales: Numin, Mohd Sofi, Jumbri, Khairulazhar, Kee, Kok Eng, Hassan, Almila, Borhan, Noorazlenawati, Matmin, Juan
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2023
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10180773/
https://www.ncbi.nlm.nih.gov/pubmed/37177301
http://dx.doi.org/10.3390/polym15092155

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10180773/
https://www.ncbi.nlm.nih.gov/pubmed/37177301
http://dx.doi.org/10.3390/polym15092155

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