Sharif Digital Repository

Kinetic modeling is an important issue, whose objective is the accurate determination of the rates of various reactions taking place in a reacting system. This issue is a pivotal element in the process design and development particularly for novel processes which are based on reactions taking place between various types of species. The Fischer Tropsch (FT) reactions have been used as the kinetic modeling bench mark. General kinetic models for FT, Water-Gas-Shift (WGS) and overall rates based on Langmuir-Hinshelwood-Hougen- Watson (LHHW) type have been considered and their optimum parameters have been obtained by Genetic Algorithms. The study shows the obtained model outperforms the other... 

Kinetic data relevant to steam methane reforming (SMR) are often applied to catalysts and conditions for which they have not been derived. In this work, kinetic rates for the two SMR and water gas shift reactions were derived for 12 commonly used reforming catalysts based on conversion data obtained from the literature. Subsequently, these rates were tested in dynamic operation, steady-state, and equilibrium using a 1-D reactor model developed in-house with gPROMS model builder. Modelling outputs were further validated independently at equilibrium using the software chemical equilibrium with applications (CEA), and the literature. The effect of variables such as temperature, pressure, steam... 

The water-gas shift reaction occurs competitively to the main reaction of the Ir-catalysed methanol carbonylation process. To study the effect of seven factors including temperature, pressure, iridium, ruthenium, methyl iodide, methyl acetate and water concentrations on the formation of hydrogen and carbon dioxide as a result of the water-gas shift reaction and other side reactions in the carbonylation of methanol to acetic acid, the experimental design method combined with response surface methodology (RSM) was utilised. Central composite design at five levels (with α=1.63) was used to design experiments. A quadratic model that included the main and interaction effects of variables for H 2... 

Currently, ammonia, as a clean and sustainable energy carrier, is intensively synthesized from its elements during the Haber-Bosch technology. This process requires a large amount of energy and emits numerous amounts of carbon dioxide, because hydrogen is dominantly produced from fossil fuels through reforming processes. Biomass-derived glycerol steam reforming is an attractive alternative to traditional reforming for reducing the dependence on hydrocarbon resources and mitigating climate change. This research aims to intensify a heat-integrated process for the co-production of ammonia and syngas from glycerol valorization. In this process, glycerol reforming continuously provides hydrogen... 

Potent carbon-neutral energy carriers bring a vital solution for sustained industrialization and environmental protection. Hydrogen as a novel zero-emission energy carrier offers more than twice energy per unit mass compared to other fuels. Membrane reactor technology transforms gray hydrogen to blue by selective hydrogen separation and carbon dioxide capture from the product mixture. Moreover, improved reactant conversion during reversible steam reforming of methane, methanol, and ethanol; water gas-shift; and dehydrogenation of cyclic and aliphatic hydrocarbons as well as enhanced hydrogen yield are results of selective and distributed hydrogen separation from membrane reactor. In this...