although extensive experimental work has been carried out during the last several years, experimental reaction rate constants are available only for hundreds of compounds. therefore, it is useful to develop a theoretical prediction method, which can be used to obtain estimates of the necessary kinetic parameters. one of the most successful approaches to predict chemical properties starting only...

effect of water gas shift reaction (co+h2o=co2+h2) on wustite reduction has been investigated by a transient, non-isothermal mathematical model based on grain model. in this model, wustite porous pellet is reduced using syngas, namely a mixture of hydrogen, carbon monoxide, carbon dioxide and water vapor. for this purpose, governing equations containing continuity equation of species and energy...

Effect of water gas shift reaction (CO+H2O=CO2+H2) on wustite reduction has been investigated by a transient, non-isothermal mathematical model based on grain model. In this model, wustite porous pellet is reduced using Syngas, namely a mixture of hydrogen, carbon monoxide, carbon dioxide and water vapor. For this purpose, governing equations containing continuity equation of species and energy...

Reaction behaviors and kinetics of catalytic oxidation of toluene with different feed flows over Pt/Zr(x)-HMS catalysts with Si/Zr ratio equal to 5, 10, 20 and 35 were investigated over a wide temperature range (200 – 500 oC). Results show that Pt/Zr(x)-HMS performs more easily toluene oxidation. The kinetic data were fitted by the Power-law and Mars–van Krevelen kinetic models. The fitting res...

An efficient design of in situ combustion depends on accurate kinetic modeling of the crude oil oxidation. The kinetic triplet of the oxidation reactions of a heavy oil sample was investigated. Once the kinetic triplet is known, the kinetic equation would be deconvolved. The crude oil sample was obtained from Kuh-E-Mond reservoir, located in the southwest of Iran. The samples were analyzed usin...

We consider the multispecies model described by a coupled system of diffusion–reaction equations, where coupling and nonlinearity are given in reaction part. construct semi-discrete form using finite volume approximation space. The fully implicit scheme is used for time, which leads to solving nonlinear equations at each time step. This paper presents two uncoupling techniques based on explicit...