Academic Journals Database
Disseminating quality controlled scientific knowledge

Theoretical study on the structural effect of some organic compounds as corrosion nhibitors on mild steel in acid media

ADD TO MY LIST
 
Author(s): Iran Sheikhshoaie | Hossein Nezamabadipour

Journal: Bulletin of the Chemical Society of Ethiopia
ISSN 1011-3924

Volume: 23;
Issue: 2;
Start page: 309;
Date: 2009;
Original page

Keywords: Corrosion inhibition | Schiff base | Mild steel | QSPR | AM1

ABSTRACT
A quantitative structure property relationship (QSPR) analysis of some organic compounds (imines or Schiff bases) is studied. The corrosion inhibition efficiencies of these imines have been studied by using AM1 (Austin model 1) Hamiltonian SCF-MO method and QSPR analysis. One of the most promising semi-empirical methods for predicating geometries and electronic properties is AM1. The geometry of all compounds 1-11 was optimized and all data obtained for building the multiple regression model. The proposed equations were applied to predict the corrosion inhibition efficiency of some related structures to select molecules of possible activity from a presumable library of compounds was obtained from the regression coefficients for the model.
Why do you need a reservation system?      Save time & money - Smart Internet Solutions