Molecular modelling of compounds used for corrosion inhibition studies: a review

EE Ebenso, C Verma, LO Olasunkanmi… - Physical Chemistry …, 2021 - pubs.rsc.org
Molecular modelling of organic compounds using computational software has emerged as a
powerful approach for theoretical determination of the corrosion inhibition potential of …

Molecular structural aspects of organic corrosion inhibitors: Experimental and computational insights

DS Chauhan, C Verma, MA Quraishi - Journal of Molecular Structure, 2021 - Elsevier
The design and development of efficient corrosion inhibitors require inputs from a wide
variety of synthetic protocols, which is usually a time consuming and tedious process. The …

Experimental and detailed DFT/MD simulation of α-aminophosphonates as promising corrosion inhibitor for XC48 carbon steel in HCl environment

O Moumeni, M Mehri, R Kerkour, A Boublia… - Journal of the Taiwan …, 2023 - Elsevier
Background Corrosion is a pervasive issue in several industries, causing safety hazards and
substantial economic losses. α-aminophosphonate substances have recently garnered …

Benzothiazolylhydrazine azomethine derivatives for efficient corrosion inhibition of mild steel in acidic environment: Integrated experimental and density functional …

SK Saha, M Murmu, NC Murmu, P Banerjee - Journal of Molecular Liquids, 2022 - Elsevier
Synthesis of challenging corrosion inhibitors is of prime importance to inhibit hydrogen-
induced and localised metallic corrosion occur in the corrosive acidic solution. In this regard …

Insights into the uses of two azine decorated d10-MOFs for corrosion inhibition application on mild steel surface in saline medium: Experimental as well as theoretical …

S Mandal, S Bej, P Banerjee - Journal of Molecular Liquids, 2023 - Elsevier
Recently, the use of metal–organic frameworks (MOFs) as an efficient corrosion inhibitor has
been focused on due to their unique excellent properties such as being rich in π-electron …

Novel cost-effective and high-performance green inhibitor based on aqueous Peganum harmala seed extract for mild steel corrosion in HCl solution: detailed …

G Bahlakeh, B Ramezanzadeh, A Dehghani… - Journal of Molecular …, 2019 - Elsevier
Traditional corrosion inhibitors have been frequently used for metal protection against strong
acids. However, most of them are hazardous/toxic compounds with high cost. Therefore, due …

Cerium-based metal organic framework (Ce-MOF) as corrosion inhibitor for API 5L X65 steel in CO2-saturated brine solution: XPS, DFT/MD-simulation, and machine …

VC Anadebe, VI Chukwuike, S Ramanathan… - Process Safety and …, 2022 - Elsevier
In this study, we report the synergistic effect of a metal ion/cluster (cerium nitrate
hexahydrate) with an organic linker (2 methyl imidazole) as a nano-hybrid corrosion inhibitor …

Understanding the adsorption and anticorrosive mechanism of DNA inhibitor for copper in sulfuric acid

Y Qiang, S Zhang, L Wang - Applied Surface Science, 2019 - Elsevier
Deoxyribonucleic acid (DNA) was investigated for suppressing copper corrosion in 0.5 MH 2
SO 4 through electrochemical measurement, microscopic surface observation, X-ray …

Polar group substituted imidazolium zwitterions as eco-friendly corrosion inhibitors for mild steel in acid solution

J Haque, V Srivastava, MA Quraishi, DS Chauhan… - Corrosion …, 2020 - Elsevier
Two polar group substituted imidazolium zwitterions have been synthesized and
investigated as corrosion inhibitors for the first time on mild steel in HCl solution using …

Mercaptopropionic acid-modified oleic imidazoline as a highly efficient corrosion inhibitor for carbon steel in CO2-saturated formation water

Z Zheng, J Hu, N Eliaz, L Zhou, X Yuan, X Zhong - Corrosion Science, 2022 - Elsevier
Two imidazoline derivatives (OI and MOI) were synthesized as highly efficient inhibitors, and
their inhibition performances and mechanisms in CO 2-containing solution were studied …