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Organic inhibitors
of corrosion of metals: quantum chemical study: Also:
inhibitors of hydrogen absorption by
steel |
PRODUCT
DETAILS: Author: Georgiy
Beloglazov Language: English Publisher: LAP LAMBERT Academic
Publishing Publication Date: 11 Jun 2013 Dimensions: 0.5 x 15 x 22.5 cm Format: Paperback Pages: 76 Condition: NEW Product_ID: C659C96567
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Results of quantum chemical computations of
molecules of organic inhibitors (OIn) of corrosion and
hydrogen absorption by metals of 9 different series, for
some of groups - also adsorbed on clusters modeling Al
and Cd surface in various oxidation states (the model
substrates contained up to 25 atoms of metal and O, H -
in case of hydroxides) were compared to experimental
data on efficiencies of protective action (EPA) against
corrosion of metals. Energies of boundary orbitals
(HOMO, LUMO) and dipole moments of isolated molecules of
OIn as well as changes of atomic charges on OIn atoms
when OIn molecule adsorbed have been computed using
semi-empiric MNDO quantum chemistry method. Found
correlations between EPA and changes of electric charge
on heteroatoms (as N, O...), also change in value of
dipole moment and in total molecular charge due to
adsorption of OIn on the metal surface were most
significant. Data on efficiencies against hydrogen
absorption by steel were compared to data obtained from
quantum chemistry for individual molecules. The material
put together in this book is due to my father (the
Academic at Russian Academy of Sci.) S.M. Beloglazov's
inspiration and leadership.
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Książki
wysyłamy w ciągu 5-7 dni roboczych.
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