Among several treatment methods Catalytic Wet Air Oxidation (CWAO) treatment is considered as a useful and powerful method for removing phenol from waste waters. In this work, mathematical model of a trickle bed reactor (TBR) undergoing CWAO of phenol is developed and the best kinetic parameters of the relevant reaction are estimated based on experimental data (from the literature) using parameter estimation technique. The validated model is then utilized for further simulation and optimization of the process. Finally, the TBR is scaled up to predict the behavior of CWAO of phenol in industrial reactors. The optimal operating conditions based on maximum conversion and minimum cost in addition to the optimal distribution of the catalyst bed is considered in scaling up and the optimal ratio of the reactor length to reactor diameter is calculated with taking into account the hydrodynamic factors (radial and axial concentration and temperature distribution).

In this work, the performance of oxidative desulfurization (ODS) of dibenzothiophene (DBT) in light gas oil (LGO) is evaluated with a homemade manganese oxide (MnO 2 /γ-Al 2 O 3 ) catalyst. The catalyst is prepared by Incipient Wetness Impregnation (IWI) method with air under moderate operating conditions. The effect of different reaction parameters such as reaction temperature, liquid hour space velocity and initial concentration of DBT are also investigated experimentally.Developing a detailed and a validated trickle bed reactor (TBR) process model that can be employed for design and optimization of the ODS process, it is important to develop kinetic models for the relevant reactions with high accuracy. Best kinetic model for the ODS process taking into account hydrodynamic factors (mainly, catalyst effectiveness factor, catalyst wetting efficiency and internal diffusion) and the physical properties affecting the oxidation process is developed utilizing data from pilot plant experiments. An optimization technique based upon the minimization of the sum of the squared error between the experimental and predicted composition of oxidation process is used to determine the best parameters of the kinetic models. The predicted product conversion showed very good agreement with the experimental data for a wide range of the operating condition with absolute average errors less than 5%.

This research aims at developing a discrete kinetic model of the hydrotreating process of a crude oil residue based on experiments. Thus, various experiments were conducted in a continuous flow trickle bed reactor over a temperature range of 653-693 K, liquid hourly space velocity of 0.3-1.0 h -1 , and hydrogen pressure of 6.0-10.0 MPas at a constant hydrogen to oil ratio of 1000 L L -1 . The reduced crude residue had been assumed to have five lumps: naphtha, kerosene, light gas oil, heavy gas oil and vacuum residue. An optimization technique based on the minimization of the sum of the squared error between the experimental and predicted compositions of the distillate fractions was used to calculate the optimal value of kinetic parameters. The predicted product composition showed good agreement with the experimental data for a wide range of operating conditions with a sum of square errors of less than 5 %.

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10The oxidative desulphurization (ODS) of light gas oil (LGO) is investigated with an in-house designed cobalt 21In order to develop a useful model for simulation, control, design and scale-up of the oxidation process, 22accurate evaluation of important process parameters such as reaction rate parameters is absolutely essential. 23For this purpose, the parameter estimation technique available in gPROMS (general Process Modelling 24 System) software is employed in this work. With the estimated process parameters further simulations of the 25 process is carried out and the concentration profiles of dibenzothiophene within the reactor are generated. 26