Sharif Digital Repository

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... 

A 1-D heterogeneous model of sorption-enhanced steam methane reforming (SE-SMR) process in a packed bed reactor consisting of nickel catalyst well mixed with CO2 sorbent particles is investigated for three types of common sorbents. The performance of SE-SMR process is studied under low medium pressure conditions (3 – 11 bar) to find the optimum operating conditions. Optimal CaO sorption corresponding to 82% CH4 conversion and 85% H2 purity is found at 900 K, 3 bar, 3.5 kgm−2s−1 and S/C of 3.0. In contrast, lithium zirconate (LZC) and hydrotalcite (HTC) sorbents exhibited best sorptions under the operating conditions of 773 K, 5 bar and S/C of 3 with CH4 conversion of 91.3% and 55.2%, and H2... 

Thanks to a wide range of pore sizes by nano/macro composites of SiOC/Al2O3, such composites can serve as different layers of the structure of Packed Bed Reactor Membranes (PBRM). In the present study, the Polymer-Derived Ceramics method (PDC) has been used to synthesize nano/macro structures. Firstly, the effect of toluene as an extra carbon source on structure and microstructure of SiOC glass-ceramics was evaluated, such that, 4% (Vol) toluene was recognized as the proper amount to facilitate the synthesis of β-SiC at 1300 °C proved by XRD, Raman spectroscopy, and HR-TEM. Moreover, the presence of micro/meso-porosities was assessed by BET and TEM, indicating the capability of SiOC to serve... 

The 3A zeolites are excellent adsorbents for industrial-scale gas dehydration because of the low energy required for regeneration and ease of operation. A computational study of the dehydration of an industrial feed stream containing ethane and water was performed using an in-house code that included an appropriate equilibrium adsorption isotherm. The validated computational model was used to examine the impact of particle size on the process dynamics and the corresponding pressure drop. The water concentration along the adsorption column was also investigated. To increase the process capacity, the packed adsorption bed was divided into two distinct layers, which were operated with different... 

Utilization of nanoparticles in oil and gas industry has attracted considerable attention of engineers and researchers. In this article, the feasibility of nanoemulsion flooding is investigated as a method for Enhanced Oil Recovery (EOR) through coreflooding experiments, using a packed bed and real reservoir fluids. Nine different mixtures of the solvent, surfactant, and nanoparticles in the form of a nanoemulsion phase are generated and used to recover the oil in the context of an EOR process. Various tests are conducted to determine the properties of porous medium and fluids. To study the production performance of this EOR technique, pressure drop across the packed bed are measured, along... 

In this article, the influences of ferrofluid and magnetic field on the reactive absorption in packed-bed contactors have been investigated. Because of importance of carbon dioxide emission as a global concern, absorption of carbon dioxide was chosen to investigate these effects. In this regard, multitube approach was applied to model the contactor. The simulation results were validated against experimental data reported in the literature in the absence of nanoparticles and magnetic field and good agreement was obtained. Moreover, influences of various operating conditions on the contactor performance were investigated. It was found that for 3.4 vol.% of magnetic nanoparticles (MNPs), the... 

Membrane reactors are an advanced technology with vast application capacities for equilibrium limited endothermic reactions. The main propose of this study is to offer an optimized packed-bed membrane steam methane reforming (SMR) tubular reactor for sustainable CH4 conversion by implementing triple-objective optimization model based on optimum H2/CO ratio for low temperature Fischer-Tropsch (F-T) process. In this study a one dimensional pseudo-homogeneous model based on mass, energy, and momentum conservation laws is used to simulate the behavior of a packed-bed membrane reactor for production of syngas by SMR. In the optimization section, the proposed work explores optimal values of... 

In the present work, we report a chemically modified polyacrylamide/silica nanoporous composite adsorbent for the removal of reactive black 5 (RB5) azo dye from aqueous solutions. The composite adsorbent was synthesized in a packed bed and modified by ethylenediamine (EDA). The adsorbent was characterized by Fourier transformation infrared (FT-IR), thermogravimetric analysis (TGA), thermoporometry, Brunauer, Emmett and Teller (BET) method and scanning electron microscopy (SEM). Mechanical stability of the adsorbent was examined in a packed bed by following the back-pressure of the column. Pore diameter of the composite adsorbent in dry and wet states was estimated to be about 18.71 nm and... 

A twodimensional model, based on conservation of mass, momentum and energy equations, is represented in this paper in which the coke combustion process, for iron ore sintering in a packed bed, is simulated numerically. The aforementioned packed bed consists of iron ore, coke, limestone and moisture. The main objective of iron ore sintering is producing resistant agglomerates which can be used in blast furnaces. For this purpose, the sinter mixture is partially melted in high temperature and finally molten is allowed to cool. The molten production and subsequently, the solidification process are totally dependent on composition and components of mixture. Changes in bed porosity, caused by... 

To figure out the relationship between nutrient deprivation and cell growth, simulation can be effective. In the present work, the growth of Chinese Hamster Ovary (CHO) cells was simulated based on stoichiometric and kinetics calculations. The simulation results were compared to the experimental data from a packed-bed bioreactor and a good agreement was observed. The kinetic parameters (K Glc, K Amn, K Lact and μ Max) were optimized by a genetic algorithm method using stoichiometric parameters (Y X/Glc, Y X/Amm, and Y Lac/Glc). The stoichiometric and kinetic parameters were used in the simulation to study the growth of CHO cells. The concentrations of the toxic by-products, ammonium and... 

In this investigation, a reactor model for prediction of the deactivation behavior of MTO's porous catalyst in a fixed bed reactor is developed. Effect of coking on molecular transport in the porous structure of SAPO-34 has been simulated using the percolation theory. Thermal effects of the reaction were considered in the model and the temperature profile of the gas stream in the reactor was predicted. The predicted loss in catalyst activity with time-on-stream was in very good agreement with the experimental data. The resulting coke deposition and gas temperature profiles along the length of reactor suggested a reaction front moving toward the outlet of the fixed bed reactor at the... 

A conic body packed bed reactor, internally irradiated with a UV-C lamp and equipped with circulating upflow stream was employed to investigate the decomposition of a widely used azo dye, direct red 16, in water. The synthesized nanostructure TiO 2 photocatalyst particles were immobilized on the surface of transparent Raschig ring packings. Solutions with initial concentration of 30 mg L -1 of dye, within the range of typical concentration in textile waste waters, were treated under the mild operating conditions of natural pH of 6.75 and temperature of 25 °C. Investigations on the active species showed that hydroxyl radicals play the major role in the process, providing a perfect degradation... 

Background: The bio-oxidation of ferrous iron is a potential industrial process in the regeneration of ferric iron and the removal of H2S in combustible gases. Bio-oxidation of ferrous iron may be an alternative method of producing ferric sulfate, which is a reagent used for removal of H2S from biogas, tail gas and in the pulp and paper industry. For practical use of this process, this study evaluated the optimal pH and initial ferric concentration. pH control looks like a key factor as it acts both on growth rate and on solubility ofmaterials in the system. Results: Process variables such as pH and amount of initial ferrous ions on oxidation by A. ferrooxidans and the effects of process... 

In this paper the effect of the sulphate concentration on the performance of a three-stage anaerobic baffled packed-bed reactor (ABPR) was investigated. Synthetic wastewater (3000 mg COD/l) was used as the sole organic substrate. The 30 liters fixed-bed bioreactor filled with plastic packing and divided in three equal sections was used as the mABPR reactor. The unit was run at a hydraulic retention time (HRT) of 1 day and at temperature of 25° C. The results of this study showed that when COD/SO42- ratios were changed from 30 to 3 with increasing sulphate concentration from 100 to 1000 mg/l, COD removal slightly was decreased. Maximum COD and sulphate removal were 91 and 96%, respectively,... 

The oxidation of ferrous iron (Fe2+) in solution using Acidithiobacillus ferrooxidans has industrial applications exclusively in the regeneration of ferric iron (Fe3+) as an oxidizing agent for the removal of hydrogen sulfide from waste gases, desulfurization of coal, leaching of non-ferrous metallic sulfides and treatment of acid mine drainage. The aim of this investigation was to increase the bio-oxidation rate of ferrous sulfate by using immobilized cells. Rate of Fe2+ oxidation was determined in a packed-bed bioreactor configuration with monolithic particles being used as support material. Biooxidation of ferrous iron by immobilized cells was investigated in repeated batch culture and... 

In this paper, the performance of immobilized packed bed glucose isomerase enzyme was mathematically modeled. A modified Michaelis-Menten type relation was used to describe the enzyme kinetics. Mass transfer inside the biocatalyst particle and through the bed column was analyzed simultaneously. Using measured data, physicochemical properties including diffusivity, viscosity and density of sugar solutions were correlated with its concentrations and were used to provide precision in solving the set of model equations. Model equations were solved using the Runge-Kutta and Gauss-Seidel algorithms and finite difference numerical method in MATLAB environment. Model output was used to demonstrate... 

The kinetics and equilibrium of isomerization reaction of D-glucose to D-fructose have been investigated using a commercial immobilized glucose isomer ase (IGI), Sweetzyme type IT®, in a batch stirred-tank reactor. The batch experimental data were used to model the reaction kinetics using the well-known Michaelis-Menten rate expression. The kinetic model was utilized in a dynamic-mathematical model for a packed-bed reactor to predict the concentration profiles of D-glucose and D-fructose within the reactor. The experimental results for the fractional conversion of D-glucose in the packed-bed reactor of IGI catalyst indicated that the model prediction of the transient and steady-state... 

Results are presented from a numerical study examining the flow of a viscous, incompressible fluid through a random packing of non-overlapping spheres at moderate Reynolds numbers, spanning a wide range of flow conditions for porous media. By using a laminar model including inertial terms and assuming rough walls, numerical solutions of the Navier-Stokes equations in three-dimensional porous packed beds resulted in dimensionless pressure drops in excellent agreement with those reported in a previous study. This observation suggests that no transition to turbulence could occur in the range of the Reynolds number studied. For flows in the Forchheimer regime, numerical results are presented of... 

The biological oxidation of ferrous ion by iron-oxidizing bacteria is potentially a useful industrial process for removal of H2S from industrial gases, desulphurization of coal, removal of sulfur dioxide from flue gas, treatment of acid mine drainage and regeneration of an oxidant agent in hydrometallurgical leaching operations. The main purpose of this study was to find optimum values of the process parameters on the ferrous biooxidation rate by immobilization of a native Sulfobacillus species on the surface of low density polyethylene (LDPE) particles in a packed-bed bioreactor using Taguchi method. Five control factors, including temperature, initial pH of feed solution, dilution rate,... 

A mathematical model is presented to simulate the multiple heterogeneous reactions with complex set of physicochemical and thermal phenomena in a moving bed of porous pellets. This model is based on both heat and mass transfer phenomena of gaseous species in a porous medium including chemical reactions at interfaces whose areas vary during the conversion. This model accounts for both the exothermic and endothermic reactions which can be equimolar or nonequimolar. Furthermore it considers simultaneously the reactions in the nonisothermal transient condition. A powerful technique based upon finite volume fully implicit approach has been implemented to solve the complicated governing equations...