Article ID Journal Published Year Pages File Type
5354787 Applied Surface Science 2012 9 Pages PDF
Abstract
► One synthesized organic compound was experimentally and theoretically investigated. ► The investigated compound showed chemisorption on the surface. ► The adsorption of the inhibitor on steel surface obeys Langmuir adsorption isotherm. ► Employing Gaussian DFT method for quantum chemical study of inhibitor. ► The adsorption behaviour of the studied inhibitor on iron surface has been studied using molecular dynamics method.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Authors
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