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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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Atmosphere corrosion behavior of plasma sprayed and laser remelted coatings on copper

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Chinese Optics Letters 2006年第1期4卷 59-62页

作者：梁工英黄俊达安耿 J.M.K.MacAlpine Department of Materials Physics Science SchoolXi'an Jiaotong UniversityXi'an 710049 Hong Kong Polytechnic University Hong Kong

Nickel and chromium coatings were produced using plasma spraying and laser remelting on the copper sheet. The corrosion test was carried out in an acidic atmosphere, and the corrosive behaviors of both coatings and original copper samples were investigated by using an impedance comparison method. Experimental results show that nickel and chromium coatings display better corrosion resistance properties relative to the original pure copper sample. The corrosion rate of chromium coating is less than that of nickel coating, and corrosion resistances of laser remelted nickel and chromium samples are better than those of plasma sprayed samples. The corrosion deposit film of copper is loose compared with nickel and chromium.

关键词： Chromium copper corrosion Nickel Plasma spraying

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Computational Stimulation and Experimental Study on corrosion Inhibition Qualities of <i>Emilia sonchifolia</i>Leaf Extract for copper (CU131729) in Hydrochloric Acid

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Computational Chemistry 2021年第1期9卷 18-36页

作者： Raphael S. Oguike Omolara Oni Aisha U. Barambu Davoud Balarak Toma Buba Chioma U. Okeke Lawrence S. Momoh Shakede Onimisi Williams J. Nwada corrosion Protection and Materials Laboratory Department of Chemistry Abubakar Tafawa Balewa University Bauchi Nigeria Department of Environmental Health Health Promotion Research Center Zahedan University of Medical Sciences Zahedan Iran Department of Biological Sciences Abubakar Tafawa Balewa University Bauchi Nigeria

copper corrosion inhibition by Emilia sonchifolia (ES) leaf extract has been studied in 2 M hydrochloric acid solution using electrochemical measurement, energy dispersive X-ray emission spectroscopy and surface examination techniques. Computational simulations were adopted to describe probable reactiveness of individual ES leaf constituents and mechanism of interaction with copper crystal. Results obtained from potentiodynamic polarization revealed a shift in corrosion potentials of copper (CU131729) to more positive potentials in the presence of ES leaf extract with increased effect as inhibitor concentration increased and also a decrease in both current densities suggesting a mixed type inhibitor characteristics with pronounced anodic protection. Surface elemental characterization revealed presence of the inhibitor species in the corrosion products formed on corroded CU131729 surface confirming the formation of complex chelating ligands through interactions with the metal surface. Quantum chemical calculations and molecular dynamics simulations were employed to theoretically analyse the interactions of individual ES leaf constituent with copper surface at the molecular level and obtained results revealed strong and spontaneous adsorption with high binding energies which affirms observed quality inhibition action. Quantum chemical descriptors such as energy of HOMO and LUMO, energy gap, number of transferred electrons, global hardness and softness, electrophilicity, and interaction energy were computed and discussed.

关键词： copper corrosion Emilia sonchifolia Surface Analysis Quantum Chemical Calculation Binding Energy Passivation

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Preparation and characterization of a chitosan-based low-pH-sensitive intelligent corrosion inhibitor

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International Journal of Minerals,Metallurgy and Materials 2015年第9期22卷 998-1004页

作者： Yu-ning Wang Chao-fang Dong Da-wei Zhang Pan-pan Ren Li Li Xiao-gang Li corrosion and Protection Center Key Laboratory for Corrosion and Protection (MOE) University of Science and Technology Beijing Baic Motor Corporation Ltd.

A chitosan （CS）-based low-pH-sensitive intelligent corrosion inhibitor was prepared by loading a pH-sensitive hydrogel with benzotriazole （BTA）; the pH-sensitive hydrogel was synthetized by crosslinking CS with glutaraldehyde （GTA）. Analysis by Fou- tier-transform inflared （FT-IR） spectroscopy showed that Schiff reactions occurred between amino and aldehyde groups. The swelling abil- ity of the hydrogel was investigated using a mass method, and it was observed to swell more in an acidic environment than in an alkaline en- vironment. The hydrogel＇s loading capacity of BTA was approximately 0.377 g·g ^-1, and its release speed was faster in an acidic environment than in an alkaline environment because of its swelling behavior. The corrosion inhibition ability of the intelligent inhibitor was tested by immersion and electrochemical methods. The results showed that after 4 h of immersion, the polarization resistance （Rp） value of copper with the intelligent inhibitor was approximately twice of that of copper with BTA, indicating that the intelligent inhibitor could effectively prevent copper from corroding.

关键词： corrosion inhibitors chitosan hydrogels swelling corrosion inhibition copper corrosion

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Molybdenum Dithiocarbamates:A New Approach to "Old" Technology

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润滑油 2012年第4期27卷 20-26页

作者： Kevin J.Chase William T.Wallack Gaston A.Aguilar R.T.Vanderbilt Co. Inc.NorwalkCT USA

A new method for the preparation of dinuclear molybdenum dithiocarbamates(MoDDCs) is *** new method allows for the control of the amount of sulfurization of the Mo2SxO4-x core(x = 1 to 4) in the dinuclear *** control ... 详细信息

关键词： molybdenum dithiocarbamate molybdenum sulfurization antioxidant antifriction antiwear copper corrosion

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