Sharif Digital Repository

A standard simulating technique test was investigated to assess the atmospheric corrosion behavior of silver coating. The rates of formation of corrosion products were measured in the simulating atmospheres of 100% humidity containing SO 2,H 2S and a complex atmosphere consist of SO 2,H 2S and NO 2 gases ,based on the mass increase method. The concentrations of corrosive gases were chosen according to real world conditions. XRD, SEM and EDS were used to examine the morphology and to determine the composition of the corrosion products under different experimental conditions. Results revealed the formation of Ag 2SO 4 and Ag 2S on the silver coating surfaces in the SO 2 and H 2S containing... 

The mechanism and kinetic aspects of the retro-ene reaction of the Allyl n-propyl sulfide and its deuterated derivative were studied using four different types of density functional theory methods with eight different levels of the basis sets. The activation energies were determined at 550.65 K. As a consequence of our calculations, a transition state is concluded that consists of a polar six-center cyclic structure. We found that the combination B3PW91/6-311++G** produces activation energy values closer to the experimental ones, but the simpler combination B3LYP/6-31G* produces excellent values too in less time. Our calculations show that the activation parameters obtained from the B3... 

The efficiency of Mn luminescence is enhanced in low-thickness ZnS:Mn layers. While various hypotheses can be considered to explain the phenomenon, it seems more reasonable to consider the luminescence enhancement effect a result of the formation of dot-like regions with higher local Mn concentration  

The gas-phase kinetics of diallyl sulfide pyrolysis were studied experimentally and theoretically in a static system over the temperature range 433-463 K and a total pressure of 80 Torr in a glass vessel with the free radical inhibitor cyclohexene. The experimental results show that this reaction is homogeneous, unimolecular and follows a first-order rate law. Theoretical studies at the B3LYP/6-31G* computational level indicate that the elimination reaction proceeds through a six-centered cyclic transition state and the reaction mechanism is concerted and non-synchronous. Copyright © 2003 John Wiley & Sons, Ltd