Please use this identifier to cite or link to this item:
http://148.72.244.84:8080/xmlui/handle/xmlui/13031
Title: | Mathematical and Quantum Chemical Studies for The Corrosion Inhibition of Steel in HCL Acid |
Authors: | Anees A. Khadom |
Keywords: | Quantum Chemical, Corrosion Inhibition, Hydrochloric Acid, Carbon Steel |
Issue Date: | 1-Jun-2010 |
Publisher: | University of Diyala – College of Engineering |
Citation: | https://djes.info/index.php/djes/article/view/682 |
Abstract: | The application of empirical and quantum chemical models on the corrosion inhibition of steel in hydrochloric acid in presence of phenylthiourea (PTU) as corrosion inhibitor have been modeled. Two mathematical models were used, third order polynomial model and Arrhenius type equation model. Levenberg-Marquardt method was used to evaluate the coefficients of two Models. Two models were suitable to represent the corrosion rate data at different conditions. The correlation coefficient of third order model was 0.973, while for the Arrhenius type model was 0.919. The structure of inhibitor was optimized by ArgusLab 4.0.1 package. The quantum chemical parameters (EHOMO, ELUMO, ΔE, and dipole moment µ) were estimated by PM3-SCF method. |
URI: | http://148.72.244.84:8080/xmlui/handle/xmlui/13031 |
ISSN: | 1999-8716 |
Appears in Collections: | مجلة ديالى للعلوم الهندسية / Diyala Journal of Engineering Sciences (DJES) |
Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.