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Combining Experimental and Quantum Chemical Study of 2-(5-Nitro-1,3-Dihydro Benzimidazol-2-Ylidene)-3-Oxo-3-(2-Oxo-2H-Chromen-3-yl) Propanenitrile as Copper Corrosion Inhibitor in Nitric Acid Solution

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Open Journal of Physical Chemistry 2022年第4期12卷 47-70页

作者： mougo andré tigori Aboudramane Koné Bamba Souleymane Doumadé Zon Drissa Sissouma Paulin Marius Niamien Laboratoire des Sciences et Technologies de l’Environnement UFR Environnement Université Jean Lorougnon Guédé Daloa C&#244 te d’Ivoire UFR des Sciences Biologiques Université Péléforo Gon Coulibaly Korhogo C&#244 te d’Ivoire Laboratoire de Constitution et de Réaction de la Matière UFR SSMT Université Félix Houphou&#235 t-Boigny Abidjan C&#244 te d’Ivoire

Due to acidic solutions aggressiveness, corrosion inhibitors use is considered to be one the most practical methods to delay metals dissolution in the said solutions. In this study benzimidazolyl derivative namely 2-cyanochalcones 2-(5-nitro-1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-3-(2-oxo-2H-chromen-3-yl) propanenitrile which was synthesized was then applied as a corrosion inhibitor for copper in 1 M HNO3 solution. The inhibition action of this molecule was evaluated by gravimetric and density functional theory (DFT) methods. It was found experimentally that this compound has a better inhibition performance and its adsorption on copper surface follows Langmuir adsorption isotherm. This adsorption evolves with temperature and inhibitor concentration, it is endothermic and occurs spontaneously with an increase in disorder. Corrosion kinetic parameters analysis supported by Adejo-Ekwenchi model revealed the existence of both physisorption and chemisorption. DFT calculations related that compound adsorption on copper surface is due to its electron donating and accepting capacity. The reactive regions specifying the electrophilic and nucleophilic attack sites were analyzed using Fukui and dual descriptor functions. Experimental results obtained were compared with the theoretical findings.

关键词： 2-Cyanochalcones2-(5-Nitro-1 3-Dihydrobenzimidazol-2-Ylidene)-3-Oxo-3-(2-Oxo-2H-Chromen-3-Yl) Propanenitrile Copper HNO3 Solution Gravimetric Density Functional Theory

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Production and Characterization of Green Biosorbent Based on Modified Corn Cob Decorated Magnetite Nanoparticles

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Journal of Materials Science and Chemical Engineering 2023年第2期11卷 1-12页

作者： N’guadi Blaise Allou N’goran Sévérin Eroi mougo andré tigori Patrick Atheba Albert Trokourey Laboratoire de Constitution et Réaction de la Matière UFR SSMT Université Félix Houphouët Boigny Abidjan Côte d’Ivoire Laboratoire de Thermodynamique et de Physico-Chimie du Milieu UFR SFA Université Nangui Abrogoua Abidjan Cote d’Ivoire Laboratoire des Sciences et Technologies de l’Environnement UFR Environnement Université Jean Lorougnon Guédé Daloa Côte d’Ivoire Institut National de la Recherche Scientifique (INRS-ETE) Université du Québec Quebec City Canada

In most developing countries, particularly in the countries of sub-Saharan Africa, corn cobs are considered as waste polluting the environment during the harvest period of this cereal. In order to valorize this agricultural waste, high-performance, inexpensive and low-energy consumption magnetic bioadsorbents were prepared from corn cobs. The chemically activated raw corn cob was magnetized by coating the surface with magnetite nanoparticles. The prepared biosorbents were characterized by FT-IR, XRD, FE-SEM associated with EDX, HR-TEM, TG analysis, BET surface area analysis and XPS. The maximum specific surface area of 35.22 m2/g was reached. An attempt to use of these magnetic biosorbents for the removal of heavy metal like Cr(VI) from aqueous solution was envisaged.

关键词： Green Biosorbent Corn Cob Magnetite Nanoparticles Surface Chemistry NaOH Activation

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Inhibition Performance of Some Sulfonylurea on Copper Corrosion in Nitric Acid Solution Evaluated Theoretically by DFT Calculations

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Open Journal of Physical Chemistry 2020年第3期10卷 139-157页

作者： mougo andré tigori Amadou Kouyaté Victorien Kouakou Paulin Marius Niamien Albert Trokourey UFR Environnement Université Jean Lorougnon Guédé Daloa C&#244 te d’Ivoire Laboratoire de Chimie Physique Université Félix Houphou&#235 t Boigny Abidjan C&#244 te d’Ivoire

The theoretical study of chlorpropamide, tolazamide and glipizide was carried out by the Density Functional Theory (DFT) at B3LYP/6-31G(d) level. This study made it possible to determine the global reactivity parameters in order to better understand the interactions between the molecules studied and the copper surface. Then, the determination of local reactivity indices (Fukui functions and dual descriptor) on these molecules resulted in the precision on the most probable centers of nucleophilic and electrophilic attacks within each molecule. The results obtained, show that chloropropamide, tolazamide and glipizide can be good inhibitors against copper corrosion. Thus, the mechanism of copper corrosion inhibition of these compounds in nitric acid solution has been explained by means of theoretical calculations.

关键词： Chlorpropamide Tolazamide Glipizide Density Functional Theory Copper Corrosion

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