Inhibition investigation and determination of some quantum chemical parameters of 1-(4-(dimethylamino)benzylidene)thiosemicarbazide on steel alloys in sulfuric acid medium

2011 ◽  
Vol 63 (7) ◽  
pp. 627-635 ◽  
Author(s):  
S. M. A. Hosseini ◽  
M. J. Bahrami ◽  
A. Dorehgiraee
Keyword(s):  
Sulfuric Acid ◽  
Acid Medium ◽  
Quantum Chemical ◽  
Chemical Parameters ◽  
Steel Alloys ◽  
Sulfuric Acid Medium ◽  
Quantum Chemical Parameters

scholarly journals Investigation of Inhibition Effect and Determination of Some Quantum Chemical Parameters of an Organic Compound on the Carbon Steel in Sulfuric Acid Medium

2015 ◽  
Vol 11 (8) ◽  
pp. 3804-3818
Author(s):  
Mohamad Javad Bahrami ◽  
M. Yazdizadeh ◽  
M. Shahidi ◽  
S.M.A. Hosseini
Keyword(s):  
Sulfuric Acid ◽  
Carbon Steel ◽  
Potentiodynamic Polarization ◽  
Quantum Chemical ◽  
Acid Ethyl Ester ◽  
Mulliken Charge ◽  
Chemical Parameters ◽  
Charge Densities ◽  
Sulfuric Acid Medium ◽  
Quantum Chemical Parameters

The inhibition ability of [3-(4-methyl-pyridin-2-y1)-4-oxo-2-phenylimino-thiazolidin-5-ylidene]-acetic acid ethyl ester (MOTAE) on the corrosion behavior of carbon steel in 0.5 M sulfuric acid solution was investigated using weight loss and potentiodynamic polarization techniques. The inhibition efficiencies increased as the concentration of the compound was increased. The calculated inhibition efficiencies from the investigated methods were in good agreement. Potentiodynamic polarization measurements indicate that MOTAE acts as a mixed type inhibitor. The adsorption of inhibitor on the steel surface obeys Langmuir adsorption isotherm. Fourier transform infrared spectroscopy (FTIR) and scanning electron microscopy (SEM)‎ were used to characterize the surface of the alloy. The structure of inhibitor was optimized using three quantum chemical levels. Some quantum chemical parameters as well as Mulliken charge densities for this molecule were computed and discussed.

Nonisochoric Reactor with Constant Feed Rate of One Component

1993 ◽  
Vol 58 (7) ◽  
pp. 1476-1484
Author(s):  
Václav Dušek ◽  
František Skopal
Keyword(s):  
Sulfuric Acid ◽  
Acid Medium ◽  
Feed Rate ◽  
Redox System ◽  
Chemical Reactor ◽  
Constant Volume ◽  
Rate Equations ◽  
Sulfuric Acid Medium ◽  
Constant Feed Rate

For a chemical reactor with constant volume feed rate equations have been derived which describe the time dependences of concentration of the reaction components, and their approximation has been suggested. The applicability of the approximation has been verified on a model redox system Ce(IV)/V(IV) in sulfuric acid medium.

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