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Quantum chemical calculations and corrosion inhibition efficiency of biopolymer chitosan on copper surface in 3%NaCl
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نویسنده
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oukhrib r. ,el ibrahimi b. ,bourzi h. ,el mouaden k. ,jmiai a. ,el issami s. ,bammou l. ,bazzi l.
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منبع
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journal of materials and environmental science - 2017 - دوره : 8 - شماره : 1 - صفحه:195 -208
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چکیده
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The ability of chitosan biopolymer to inhibit the corrosion of copper in 3% nacl solution was investigated experimentally and theoretically. in the first stage,the obtained results from electrochemical (polarization and impedance techniques) and weight loss measurements combined to morphology analysis reveal that this biopolymer act as a cathodic inhibitor and its inhibition efficiency (ie) increases with increasing of concentration to reach 86% at 1000 ppm. a slight decrease of ie was noted with increasing in temperature and the adsorption of chitosan on copper surface was found to obey langmuir isotherm. in the second stage,the quantum chemical computations and molecular dynamics simulations showed that the studied compound was adsorbed differentially on the metal surface all depend to the nature of copper surface (cu or cu2o) and the molecular structure of tested polymer. © 2017.
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کلیدواژه
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Adsorption isotherm; Copper ,chitosan; Corrosion inhibition; Molecular dynamic; NaCl 3 ,; Quantum chemical
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آدرس
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apply chemistry-physic team,materials and environment laboratory,ibn zohr sciences faculty,b.p.8106,dakhla city,agadir, Morocco, apply chemistry-physic team,materials and environment laboratory,ibn zohr sciences faculty,b.p.8106,dakhla city,agadir, Morocco, apply chemistry-physic team,materials and environment laboratory,ibn zohr sciences faculty,b.p.8106,dakhla city,agadir, Morocco, apply chemistry-physic team,materials and environment laboratory,ibn zohr sciences faculty,b.p.8106,dakhla city,agadir, Morocco, apply chemistry-physic team,materials and environment laboratory,ibn zohr sciences faculty,b.p.8106,dakhla city,agadir, Morocco, apply chemistry-physic team,materials and environment laboratory,ibn zohr sciences faculty,b.p.8106,dakhla city,agadir, Morocco, apply chemistry-physic team,materials and environment laboratory,ibn zohr sciences faculty,b.p.8106,dakhla city,agadir, Morocco, apply chemistry-physic team,materials and environment laboratory,ibn zohr sciences faculty,b.p.8106,dakhla city,agadir, Morocco
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Authors
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