Abstract: This work investigated the steady state and dynamic
simulation of a fixed bed industrial naphtha reforming reactors. The
performance of the reactor was investigated using a heterogeneous
model. For process simulation, the differential equations are solved
using the 4th order Runge-Kutta method .The models were validated
against measured process data of an existing naphtha reforming plant.
The results of simulation in terms of components yields and
temperature of the outlet were in good agreement with empirical data.
The simple model displays a useful tool for dynamic simulation,
optimization and control of naphtha reforming.
Abstract: In this paper 2D Simulation of catalytic Fixed Bed Reactor in Fischer-Tropsch Synthesis of GTL technology has been performed utilizing computational fluid dynamics (CFD). Synthesis gas (a mixture of carbon monoxide and hydrogen) has been used as feedstock. The reactor was modeled and the model equations were solved employing finite volume method. The model was validated against the experimental data reported in literature. The comparison showed a good agreement between simulation results and the experimental data. In addition, the model was applied to predict the concentration contours of the reactants and products along the length of reactor.
Abstract: In this study, we sought to investigate the mercury
removal efficiency of manganese oxides from natural gas. The
fundamental studies on mercury removal with manganese oxides
sorbents were carried out in a laboratory scale fixed bed reactor at 30
°C with a mixture of methane (20%) and nitrogen gas laden with 4.8
ppb of elemental mercury. Manganese oxides with varying surface
area and crystalline phase were prepared by conventional precipitation
method in this study. The effects of surface area, crystallinity and
other metal oxides on mercury removal efficiency were investigated.
Effect of Ag impregnation on mercury removal efficiency was also
investigated. Ag supported on metal oxide such titania and zirconia as
reference materials were also used in this study for comparison. The
characteristics of mercury removal reaction with manganese oxide
was investigated using a temperature programmed desorption (TPD)
technique.
Manganese oxides showed very high Hg removal activity (about
73-93% Hg removal) for first time use. Surface area of the manganese
oxide samples decreased after heat-treatment and resulted in complete
loss of Hg removal ability for repeated use after Hg desorption in the
case of amorphous MnO2, and 75% loss of the initial Hg removal
activity for the crystalline MnO2. Mercury desorption efficiency of
crystalline MnO2 was very low (37%) for first time use and high (98%)
after second time use. Residual potassium content in MnO2 may have
some effect on the thermal stability of the adsorbed Hg species.
Desorption of Hg from manganese oxides occurs at much higher
temperatures (with a peak at 400 °C) than Ag/TiO2 or Ag/ZrO2.
Mercury may be captured on manganese oxides in the form of mercury
manganese oxide.
Abstract: In this work, axisymetric CFD simulation of fixed bed
GTL reactor has been conducted, using computational fluid dynamics
(CFD). In fixed bed CFD modeling, when N (tube-to-particle
diameter ratio) has a large value, it is common to consider the packed
bed as a porous media. Synthesis gas (a mixture of predominantly
carbon monoxide and hydrogen) was fed to the reactor. The reactor
length was 20 cm, divided to three sections. The porous zone was in
the middle section of the reactor. The model equations were solved
employing finite volume method. The effects of particle diameter,
bed voidage, fluid velocity and bed length on pressure drop have
been investigated. Simulation results showed these parameters could
have remarkable impacts on the reactor pressure drop.
Abstract: In this study, the reduction of Cr(VI) by use of scrap
iron, a cheap and locally available industrial waste, was investigated
in continuous system. The greater scrap iron efficiency observed for
the first two sections of the column filling indicate that most of the
reduction process was carried out in the bottom half of the column
filling. This was ascribed to a constant decrease of Cr(VI)
concentration inside the filling, as the water front passes from the
bottom to the top end of the column. While the bottom section of the
column filling was heavily passivated with secondary mineral phases,
the top section was less affected by the passivation process; therefore
the column filling would likely ensure the reduction of Cr(VI) for
time periods longer than 216 hours. The experimental results indicate
that fixed beds columns packed with scrap iron could be successfully
used for the first step of Cr(VI) polluted wastewater treatment.
However, the mass of scrap iron filling should be carefully estimated
since it significantly affects the Cr(VI) reduction efficiency.
Abstract: Dehydration of methanol to dimethyl ether (DME)
over a commercial Al2O3 catalyst was studied in an isothermal integral
fixed bed reactor. The experiments were performed on the temperature
interval 513-613 K, liquid hourly space velocity (LHSV) of 0.9-2.1h-1,
pressures between 0.1 and 1.0 MPa. The effect of different operation
conditions on the dehydration of methanol was investigated in a
laboratory scale experiment. A new intrinsic kinetics equation based
on the mechanism of Langmuir-Hinshelwood dissociation adsorption
was developed for the dehydration reaction by fitting the expressions
to the experimental data. An activation energy of 67.21 kJ/mol was
obtained for the catalyst with the best performance. Statistic test
showed that this new intrinsic kinetics equation was acceptable.
Abstract: The catalytic dehydroxylation of glycerol to propylene
glycol was investigated over Cu-ZnO/Al2O3 prepared by incipient
wetness impregnation (IWI) method with different purity feedstocks -
refined glycerol and technical grade glycerol. The main purpose is to
investigate the effects of feed impurities that cause the catalyst
deactivation. The prepared catalyst were tested for its catalytic
activity and selectivity in a continuous flow fixed bed reactor at 523
K, 500 psig, H2/feed molar ratio of 4 and WHSV of 3 h-1. The results
showed that conversion of refined glycerol and technical grade
glycerol at time on stream 6 hour are 99% and 71% and selectivity to
propylene glycol are 87% and 56% respectively. The ICP-EOS and
TPO results indicated that the cause of catalyst deactivation was the
amount of impurities in the feedstock. The higher amount of
impurities (especially Na and K) the lower catalytic activity.
Abstract: Partial oxidation (POX) of light hydrocarbons (e.g.
methane) is occurred in the first part of the autothermal reformer
(ATR). The results of the detailed modeling of the reformer based on
the thermodynamic model of the POX and 1D heterogeneous
catalytic model for the fixed bed section are considered here.
According to the results, the overall performance of the ATR can be
improved by changing the important feed parameters.
Abstract: Hydrothermally synthesized high silica borosilicates
with the MFI structure was subjected to several characterization
techniques. The effect of boron on the structure and acidity of
HZSM-5 catalyst were studied by XRD, SEM, N2 adsorption, solid
state NMR, NH3-TPD. It was confirmed that boron had entered the
framework in the boron samples. The results also revealed that strong
acidity was weakened and weak acidity was strengthened by the
boron added zeolite framework compared with parent catalyst. The
catalytic performance was carried out in a fixed bed at 460°C for
methanol to propylene (MTP) reaction. The results of MTP reaction
showed a great increment of the propylene selectivity and excellent
stability for the B-HZSM-5. The catalyst exhibited about 81%
selectivity to C2
= - C4
= olefins with 40% selectivity of propylene as
major component at near 100% methanol conversion, and the stable
performance in the studied period was 100h.
Abstract: This work aims to test the application of computational fluid dynamics (CFD) modeling to fixed bed catalytic cracking reactors. Studies of CFD with a fixed bed design commonly use a regular packing with N=2 to define bed geometry. CFD allows us to obtain a more accurate view of the fluid flow and heat transfer mechanisms present in fixed bed equipment. Naphtha was used as feedstock and the reactor length was 80cm. It is divided in three sections that catalyst bed packed in the middle section of the reactor. The reaction scheme was involved one primary reaction and 24 secondary reactions. Because of high CPU times in these simulations, parallel processing have been used. In this study the coke formation process in fixed bed and empty tube reactor was simulated and coke in these reactors are compared. In addition, the effect of steam ratio and feed flow rate on coke formation was investigated.
Abstract: A rigorous two-dimensional model is developed for simulating the operation of a less-investigated type steam reformer having a considerably lower operating Reynolds number, higher tube diameter, and non-availability of extra steam in the feed compared with conventional steam reformers. Simulation results show that reasonable predictions can only be achieved when certain correlations for wall to fluid heat transfer equations are applied. Due to severe operating conditions, in all cases, strong radial temperature gradients inside the reformer tubes have been found. Furthermore, the results show how a certain catalyst loading profile will affect the operation of the reformer.
Abstract: Modeling of a heterogeneous industrial fixed bed
reactor for selective dehydrogenation of heavy paraffin with Pt-Sn-
Al2O3 catalyst has been the subject of current study. By applying
mass balance, momentum balance for appropriate element of reactor
and using pressure drop, rate and deactivation equations, a detailed
model of the reactor has been obtained. Mass balance equations have
been written for five different components. In order to estimate
reactor production by the passage of time, the reactor model which is
a set of partial differential equations, ordinary differential equations
and algebraic equations has been solved numerically.
Paraffins, olefins, dienes, aromatics and hydrogen mole percent as
a function of time and reactor radius have been found by numerical
solution of the model. Results of model have been compared with
industrial reactor data at different operation times. The comparison
successfully confirms validity of proposed model.
Abstract: In the present study, a procedure was developed to
determine the optimum reaction rate constants in generalized
Arrhenius form and optimized through the Nelder-Mead method. For
this purpose, a comprehensive mathematical model of a fixed bed
reactor for dehydrogenation of heavy paraffins over Pt–Sn/Al2O3
catalyst was developed. Utilizing appropriate kinetic rate expressions
for the main dehydrogenation reaction as well as side reactions and
catalyst deactivation, a detailed model for the radial flow reactor was
obtained. The reactor model composed of a set of partial differential
equations (PDE), ordinary differential equations (ODE) as well as
algebraic equations all of which were solved numerically to
determine variations in components- concentrations in term of mole
percents as a function of time and reactor radius. It was demonstrated
that most significant variations observed at the entrance of the bed
and the initial olefin production obtained was rather high. The
aforementioned method utilized a direct-search optimization
algorithm along with the numerical solution of the governing
differential equations. The usefulness and validity of the method was
demonstrated by comparing the predicted values of the kinetic
constants using the proposed method with a series of experimental
values reported in the literature for different systems.
Abstract: A method to determine experimentally the melting
rate, rm, and the heat transfer coefficients, αv (W/(m3K)), at
convective melting in a fixed bed of particles under adiabatic regime
is established in this paper. The method lies in the determining of the
melting rate by measuring the fixed bed height in time. Experimental
values of rm, α and α v were determined using cylindrical particles of
ice (d = 6.8 mm, h = 5.5 mm) and, as a melting agent, aqueous NaCl
solution with a temperature of 283 K at different values of the liquid
flow rate (11.63·10-6, 28.83·10-6, 38.83·10-6 m3/s).
Our experimental results were compared with those existing in
literature being noticed a good agreement for Re values higher than
50.
Abstract: The remediation of water resources pollution in
developing countries requires the application of alternative
sustainable cheaper and efficient end-of-pipe wastewater treatment
technologies. The feasibility of use of South African cheap and
abundant pine tree (Pinus patula) sawdust for development of lowcost
AC of comparable quality to expensive commercial ACs in the
abatement of water pollution was investigated. AC was developed at
optimized two-stage N2-superheated steam activation conditions in a
fixed bed reactor, and characterized for proximate and ultimate
properties, N2-BET surface area, pore size distribution, SEM, pHPZC
and FTIR. The sawdust pyrolysis activation energy was evaluated by
TGA. Results indicated that the chars prepared at 800oC and 2hrs
were suitable for development of better quality AC at 800oC and 47%
burn-off having BET surface area (1086m2/g), micropore volume
(0.26cm3/g), and mesopore volume (0.43cm3/g) comparable to
expensive commercial ACs, and suitable for water contaminants
removal. The developed AC showed basic surface functionality at
pHPZC at 10.3, and a phenol adsorption capacity that was higher than
that of commercial Norit (RO 0.8) AC. Thus, it is feasible to develop
better quality low-cost AC from (Pinus patula) sawdust using twostage
N2-steam activation in fixed-bed reactor.
Abstract: This study presents the application of artificial
neural network for modeling the phenolic compound
migration through vertical soil column. A three layered feed
forward neural network with back propagation training
algorithm was developed using forty eight experimental data
sets obtained from laboratory fixed bed vertical column tests.
The input parameters used in the model were the influent
concentration of phenol(mg/L) on the top end of the soil
column, depth of the soil column (cm), elapsed time after
phenol injection (hr), percentage of clay (%), percentage of
silt (%) in soils. The output of the ANN was the effluent
phenol concentration (mg/L) from the bottom end of the soil
columns. The ANN predicted results were compared with the
experimental results of the laboratory tests and the accuracy of
the ANN model was evaluated.
Abstract: In this study, a reformer model simulation to use
refinery (Farashband refinery, Iran) waste natural gas. In the
petroleum and allied sectors where natural gas is being encountered
(in form of associated gas) without prior preparation for its positive
use, its combustion (which takes place in flares, an equipment through
which they are being disposed) has become a great problem because
of its associated environmental problems in form of gaseous emission.
The proposed model is used to product syngas from waste natural gas.
A detailed steady model described by a set of ordinary differential and
algebraic equations was developed to predict the behavior of the
overall process. The proposed steady reactor model was validated
against process data of a reformer synthesis plant recorded and a good
agreement was achieved. H2/CO ratio has important effect on Fischer-
Tropsch synthesis reactor product and we try to achieve this parameter
with best designing reformer reactor. We study different kind of
reformer reactors and then select auto thermal reforming process of
natural gas in a fixed bed reformer that adjustment H2/CO ratio with
CO2 and H2O injection. Finally a strategy was proposed for prevention
of extra natural gas to atmosphere.
Abstract: Three alumina-supported Pt-Sn catalysts have been
prepared by means of co-impregnation and characterized by XRD and
N2 adsorption. The influence of catalyst composition and reaction
conditions on the conversion and selectivity were investigated in the
hydrogenation of acetic acid in an isothermal integral fixed bed
reactor. The experiments were performed on the temperature interval
468-548 K, liquid hourly space velocity (LHSV) of 0.3-0.7h-1,
pressures between 1.0 and 5.0Mpa. A good compromise of
0.75%Pt-1.5%Sn can act as an optimized acetic acid hydrogenation
catalyst, and the conversion and selectivity can be tuned through the
variation of reaction conditions.
Abstract: The rate of production of main products of the Fischer-Tropsch reactions over Fe/HZSM5 bifunctional catalyst in a fixed bed reactor is investigated at a broad range of temperature, pressure, space velocity, H2/CO feed molar ratio and CO2, CH4 and water flow rates. Model discrimination and parameter estimation were performed according to the integral method of kinetic analysis. Due to lack of mechanism development for Fisher – Tropsch Synthesis on bifunctional catalysts, 26 different models were tested and the best model is selected. Comprehensive one and two dimensional heterogeneous reactor models are developed to simulate the performance of fixed-bed Fischer – Tropsch reactors. To reduce computational time for optimization purposes, an Artificial Feed Forward Neural Network (AFFNN) has been used to describe intra particle mass and heat transfer diffusion in the catalyst pellet. It is seen that products' reaction rates have direct relation with H2 partial pressure and reverse relation with CO partial pressure. The results show that the hybrid model has good agreement with rigorous mechanistic model, favoring that the hybrid model is about 25-30 times faster.
Abstract: Fixed-bed slow pyrolysis experiments of rice husk
have been conducted to determine the effect of pyrolysis
temperature, heating rate, particle size and reactor length on the
pyrolysis product yields. Pyrolysis experiments were performed at
pyrolysis temperature between 400 and 600°C with a constant
heating rate of 60°C/min and particle sizes of 0.60-1.18 mm. The
optimum process conditions for maximum liquid yield from the rice
husk pyrolysis in a fixed bed reactor were also identified. The highest
liquid yield was obtained at a pyrolysis temperature of 500°C,
particle size of
1.18-1.80 mm, with a heating rate of 60°C/min in a 300 mm length
reactor. The obtained yield of, liquid, gas and solid were found be in
the range of 22.57-31.78 %, 27.75-42.26 % and 34.17-42.52 % (all
weight basics) respectively at different pyrolysis conditions. The
results indicate that the effects of pyrolysis temperature and particle
size on the pyrolysis yield are more significant than that of heating
rate and reactor length. The functional groups and chemical
compositions present in the liquid obtained at optimum conditions
were identified by Fourier Transform-Infrared (FT-IR) spectroscopy
and Gas Chromatography/ Mass Spectroscopy (GC/MS) analysis
respectively.