Der Pharma Chemica
Journal for Medicinal Chemistry, Pharmaceutical Chemistry and Computational Chemistry

Abstract

Copper corrosion inhibition by 2-Thiobenzylbenzothiazole in 2M nitric acid

Author(s): D. Ehouman, J. S. Akpa, P. M. Niamien, D. Sissouma and A. Trokourey

2-Thiobenzylbenzothiazole (2TBBT) has been used as corrosion inhibitor for copper corrosion in 2.0 M nitric acid. The studies were conducted, using mass loss and a quantum chemical method based on Density Functional Theory (DFT). The corrosion rate was found to be concentration and temperature dependent. Information on adsorption of the molecule on the copper surface was assessed through isotherms, including Langmuir, Freundlich and Flory Huggins. The best fit was obtained with the modified Langmuir adsorption isotherm. Thermodynamic adsorption functions and activation ones were determined and analysed. They show a spontaneous adsorption and a chemisorption process. Quantum chemical calculations at B3LYP level with 6-31G (d) basis set lead to molecular descriptors such as EHOMO (energy of the highest occupied molecular orbital), ELUMO (energy of the lowest unoccupied molecular orbital), Δ (energy gap) and  (dipole moment). The global reactivity descriptors such as  (electronegativity),  (hardness), (softness) and  (electrophilicity index) were derived using Koopman’s theorem and analysed. The local reactivity parameters, including Fukui functions  and local softness were determined and discussed. Furthermore, the relative electrophilicity  /   and relative nucleophylicity  /   were also determined and analysed. Experimental and theoretical data are in good agreement.


FIND ARTICLES
SCImago Journal & Country Rank
 
kız uzun zamandır masaj salonunda çalışıyor çok sulanan erkek oluyor ama porno izle bir türlü hiç birine vermiyor Ama sonunda genç paraya sıkışıyor ve bir porno resimleri sikiş için çok para teklif eden genç adama sonunda kabul ediyor ve evlerine giren amatör pornolar maskeli hırsız genç kadının odasındaki çekmecelerde para ararken kadının seksi iç sikiş çamaşırlarına denk geliyor Onları koklayarak yarağı taş gibi oluyor daha sonra genç porno fotoğrafları kadın odaya bir den bire girince hırsızı görüyor ve bağırmaya başlıyor Hırsız hızlıca porno hikayeleri kızın ağzını elleri ile kapatarak tam kızın kalçalarını kucağına alarak sevişiyor
ankara escort
mobile bitcoin casino
Casumo no deposit bonus bitcoin nedir?