in this work the kinetic data demanded for kinetic modeling were obtained in temperatures 350, 400, 450 and 500 oc by conducting experimentations on a fe-cr nanocatalyst prepared from a novel method and a commercial fe-cr-cu one. the collected data were subjected to kinetic modeling by using two models derived from redox and associative mechanisms as well as an empirical one. the coefficients o...

in the present study, a new gas diffusion electrode (gde) (based on pt/nafion membrane) is fabricated. the electrochemical results show that the new gde has the highest electrochemical activity toward the oxygen reduction reaction (orr) among the three electrodes. the sem and xrd findings show that a platinum layer can be attached to nafion membrane closely and firmly with a strong peak corresp...

In this paper, a mathematical model is developed to calculate the conversion and the residence time reaction for plug flow and mixed flow in the reactors filled with cylin-drical particles using the shrinking core model. In this modeling, the size of the particles is un-chamged during the reaction. Also, the reaction rate is controlled by the gas layer resistance, the ash layer resistance, and ...

the electrocatalysis of the oxygen reduction reaction (orr) on carbon supportedpt-v (1:1) catalyst in polymer electrolyte fuel cells (pefc) was investigated. atan oxygen pressure of one atm an enhanced electrocatalytic property of pt-v/ccompared with pt/c is revealed. these results indicate the occurrence of adifferent electrocatalytic mechanism for the orr on pt/c and pt-v/c. anincrease of mas...

this paper is a density functional theory (dft) calculation of intramolecular proton transfer (ipt) in 6-hydroxypicolinic acid (6hpa, 6-hydroxypyridine-2-carboxylic acid) tautomeric forms. the transition state for the enol-to-keto transition is reported in the gas phase and in four different solvents. the planar and non-planar dimer forms of 6hpa keto and enol, respectively, were also studied i...

The simultaneous removal of SO2/NO2 by limestone slurry was studied in a gas-liquid bubbling reactor. Experiments were carried out to find the effect of various operating parameters such as inlet concentration of SO2 and NO2, reaction temperature, O2 content in the flue gas and additive on the SO2 and NO2 removal efficiencies. SO2 removal efficiency decreased with inlet NO2 concentration, react...

Abstract Gas to liquid (GTL) process involves heterogeneous catalytic chemical reactions that convert synthesis gas to hydrocarbons and water vapor. A three phase reactor, called Low temperature Fischer-Tropsch (LTFT) is commonly applied for GTL process. In this reactor the gaseous phase includes the synthesis gas, light hydrocarbons and water vapor, the liquid phase is a mixture of the h...

A base-catalyzed hydrolysis reaction of thiolester has been studied in both gas and solution phases using two ab initio quantum mechanics calculations such as Gaussian09 and CPMD. The free-energy surface along the reaction path is also constructed using a configuration sampling technique, namely, the metadynamics method. While there are two different reaction paths obtained for the potential pr...

This paper is a density functional theory (DFT) calculation of intramolecular proton transfer (IPT) in 6-hydroxypicolinic acid (6HPA, 6-hydroxypyridine-2-carboxylic acid) tautomeric forms. The transition state for the enol-to-keto transition is reported in the gas phase and in four different solvents. The planar and non-planar dimer forms of 6HPA keto and enol, respectively, were also studied i...