in this research we have studied the effect of some transition-metals (cu, ag and au) substitutions on two-electron reduction potential of flavins by application of dft method. all geometries have been optimized at blyp level of theory and “6-31+g** + lanl2dz” mixed basis set. the frequency job at the same method and basis sets has been performed to obtain gibbs free energy of compounds. it h...

thermal barrier coatings (tbcs) are used to provide thermal insulation to the hot section components of gas turbines in order to enhance the operating temperature and turbine efficiency. hot corrosion and thermal shocks are the main destructive factors in tbcs which comes as a result of oxygen and molten salt diffusion into the coating. in this thesis atmospheric plasma spraying was used to dep...

The purpose of this research was to investigate the trend of annual changes in Yazd stationchr('39')s meteorological parameters including minimum and maximum average daily temperature and average daily precipitation (1961-2005), as well as the predicted annual mean of these parameters in the three upcoming thirty years of the 2040s, 2070s and 2100s, by the SDSM model, under RCP2.6, RCP4.5, RCP8...

in the area of automotive engineering there is a tendency to more electrification of power train. in this work control of an induction machine for the application of electric vehicle is investigated. through the changing operating point of the machine, adapting the rotor magnetization current seems to be useful to increase the machines efficiency. in the literature there are many approaches wh...

in this thesis, a better reaction conditions for the synthesis of spirobarbiturates catalyzed by task-specific ionic liquid (2-hydroxy-n-(2-hydroxyethyl)-n,n-dimethylethanaminium formate), calcium hypochlorite ca(ocl)2 or n-bromosuccinimide (nbs) in the presence of water at room temperature by ultrasonic technique is provided. the design and synthesis of spirocycles is a challenging task becaus...

abstract amino acids are building blocks of proteins, and play a vital role in living beings existence and their functionality. the interaction of these compounds with metal ions is of great importance to biochemists, and chemists, because their functions can be utilized as a model in understanding enzymes mechanism for transport of metal ions to tissues. among twenty essential amino acids w...

attempts have been made to study the thermodynamic behavior of 1,3 butadiene purification columns with the aim of retrofitting those columns to more energy efficient separation schemes. 1,3 butadiene is purified in two columns in series through being separated from methyl acetylene and 1,2 butadiene in the first and second column respectively. comparisons have been made among different therm...