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Molecular modelling Quantum Chemical Studies and Corrosion Inhibitors

 

Marketed By :  LAP LAMBERT Academic Publishing   Sold By :  Kamal Books International  
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  • Product Description
 

The corrosion is an (unwanted) reaction of materials with substances present in their environment. In the case of iron this reaction becomes visible for instance when rust forms. The reasons for this corrosion are diverse and are covered very extensively in the literature. The study of corrosion processes and their inhibition by organic inhibitors is a very active field of research. The presence of actives centres in the molecular structure has a major effect on the inhibition efficiency and consequently on the phenomenon of adsorption on some metals surface. The inhibition effect mainly depends on some physicochemical and electronic properties of the inhibitor which relate to its functional groups, steric effects, electronic density of donor atoms, and orbital character of donating electrons. Corrosion inhibition of has been elucidated by means of theory DFT-derived reactivity indexes. The calculated quantum chemical parameters have already proven to be very useful in determining the molecular structure as well as elucidating the electronic structure and reactivity. Thus, it has become a common practice to carry out quantum chemical calculations in corrosion inhibition studies.

Product Specifications
SKU :COC87637
AuthorAhmed Chetouani and Belkheir Hammouti
LanguageEnglish
BindingPaperback
Number of Pages176
Publishing Year2013-05-31T00:00:00.000
ISBN9783659398056
Edition1 st
Book TypeChemistry
Country of ManufactureIndia
Product BrandLAP LAMBERT Academic Publishing
Product Packaging InfoBox
In The Box1 Piece
Product First Available On ClickOnCare.com2015-10-08 00:00:00