alexa DFT studies of pyridine corrosion inhibitors in electrical double layer: solvent, substrate, and electricfieldeffects.
Engineering

Engineering

Journal of Steel Structures & Construction

Author(s): Lashkari M Arshadi MR

Abstract Share this page

The molecular behavior of some pyridine derivatives as corrosion inhibitors of iron and aluminum in acid media, were studied quantum electrochemically. The calculations were made for three conditions; isolated inhibitor molecule, metal cluster, and finally polarized continuum media. It is concluded that for aluminum the vertical adsorption through nitrogen atom is prevailing, while for iron both vertical and planar adsorptions (through π electrons of aromatic ring) are possible, but the vertical is predominant. The inhibitor chemical potential (μ) and the extent of charge transfer (ΔN) to the metal were determined. A linear correlation between each of these and the inhibition efficiencies are demonstrated. Finally, from the calculated de-solvation free energy values as a function of dielectric constant, it is observed that there is an abrupt decrease in the free energies as the inhibitor molecule enters EDL. Also the calculated de-solvation free energies show a linear correlation with experimental inhibition efficiencies.

This article was published in Chemicalphysics and referenced in Journal of Steel Structures & Construction

Relevant Expert PPTs

Relevant Speaker PPTs

Recommended Conferences

Peer Reviewed Journals
 
Make the best use of Scientific Research and information from our 700 + peer reviewed, Open Access Journals
International Conferences 2017-18
 
Meet Inspiring Speakers and Experts at our 3000+ Global Annual Meetings

Contact Us

Agri, Food, Aqua and Veterinary Science Journals

Dr. Krish

[email protected]

1-702-714-7001 Extn: 9040

Clinical and Biochemistry Journals

Datta A

[email protected]

1-702-714-7001Extn: 9037

Business & Management Journals

Ronald

[email protected]

1-702-714-7001Extn: 9042

Chemical Engineering and Chemistry Journals

Gabriel Shaw

[email protected]

1-702-714-7001 Extn: 9040

Earth & Environmental Sciences

Katie Wilson

[email protected]

1-702-714-7001Extn: 9042

Engineering Journals

James Franklin

[email protected]

1-702-714-7001Extn: 9042

General Science and Health care Journals

Andrea Jason

[email protected]

1-702-714-7001Extn: 9043

Genetics and Molecular Biology Journals

Anna Melissa

[email protected]

1-702-714-7001 Extn: 9006

Immunology & Microbiology Journals

David Gorantl

[email protected]

1-702-714-7001Extn: 9014

Informatics Journals

Stephanie Skinner

[email protected]

1-702-714-7001Extn: 9039

Material Sciences Journals

Rachle Green

[email protected]

1-702-714-7001Extn: 9039

Mathematics and Physics Journals

Jim Willison

[email protected]

1-702-714-7001 Extn: 9042

Medical Journals

Nimmi Anna

[email protected]

1-702-714-7001 Extn: 9038

Neuroscience & Psychology Journals

Nathan T

[email protected]

1-702-714-7001Extn: 9041

Pharmaceutical Sciences Journals

John Behannon

[email protected]

1-702-714-7001Extn: 9007

Social & Political Science Journals

Steve Harry

[email protected]

1-702-714-7001 Extn: 9042

 
© 2008-2017 OMICS International - Open Access Publisher. Best viewed in Mozilla Firefox | Google Chrome | Above IE 7.0 version
adwords