CHAPTER 6 Reactor Design

Reactor Design

6.1 Theory of Reactor Design:

Heterogeneous catalytic reactors are the most important single class of reactors utilized by
chemical industry. Whether their importance is measured by the whole sale value of goods
produced, the processing capacity or the overall investment in the reactors and associated
peripheral equipment, there is no doubt as to prime economic role that reactors of this type play
in modern technology society.

The types of reactors used in industry for carrying out heterogeneous catalytic reactions
may be classified in terms of relatively small numbers of categories. One simple means of
classification is in terms of relative motion of the catalyst particles and reactants.

 Reactors in which the solid catalyst particles remain in a fixed position relative to one
another (fixed bed, trickle bed and moving bed reactors).
 Reactors in which the particles are suspended in a fluid and are constantly moving about
(fluidized bed and slurry reactors).

6.1.1 Fixed Bed Reactors:

In its most basic form a fixed bed reactor consists of a cylindrical tube filled with catalyst
pellets. Reactants go through the catalyst bed and are converted in to products. Fixed bed
reactors are often referred to as packed bed reactors. They may be regarded as the work horse of
the chemical industry with respect to number of reactors employed and the economic value of
materials produced. Ammonia synthesis, sulphuric acid production (by oxidation of SO2 to SO3)
and nitric acid production (by ammonia oxidation) are only a few of the extremely high tonnage
process that make extensive use of various forms of packed bed reactors.

The catalyst constituting the fixed bed will generally be employed in one of the
following configurations:

» A single large bed

» Multiple horizontal beds supported on trays arranged in a Vertical stack

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» Multiple parallel packed tubes in a single shell

» Multiple beds each in their own shell
The use of multiple catalyst sections usually arises because of the need to maintain adequate
temperature control with in the system. Other constraints leading to the use of multiple beds
include those of pressure drop or adequate fluid distribution. In addition to the shell and tube
configuration, some of possibilities for heat transfer to or from fixed bed reactors include the use
of internal heat exchangers, annular cooling spaces or cooling thimbles are circulation of a
portion of the reacting gases through an external heat exchanger.

The packing itself may consist of spherical, cylindrical or randomly shaped pellets, weir
screens or gauzes, crushed particles or a variety of other physical configurations. The particles
usually are 0.25 to 1.0 cm in diameter. The structure of the catalyst pellets is such that the
internal surface area far exceeds the superficial (external) surface area so that the contact area is
in principle, independent of pellet size. To make effective use of the internal surface area, one
must use a pellet size that minimizes diffusional resistance with in the catalyst pellet but that also
gives rise to an appropriate pressure drop across the catalyst bed.

The most commonly used direction of reactant. Flow is down ward through the bed. This
approach gives a stable bed that will not fluidize, dance or lift out of the reactor. This approach
minimizes catalyst attrition and potential entrainment of catalyst fines. When processing
conditions are such that the reactor is subjected to wide variations in feed flow rates or when the
feed is a dense fluid, it is imperative that the flow direction be downward. The attendant
advantages of-downward flow is the tendency of bed to compress itself and the gravitation of
catalyst fines (resulting from attrition) down through the bed. Both phenomena may lead to
increased pressure drop and channeling or mal distribution of the flow. Up flow has the
advantage of lifting catalyst fines or fragmented particles from the bed there by avoiding
channeling and blockage of bed. However, this mode of operation is disadvantageous because it
may lead to unstable beds at high flow rates. It leads to dancing in a pulsating flow that caused
catalyst abrasion and in unusual circumstances may lead to fluidization.

A fixed bed reactor has many unique and value able advantages relative to other reactor
types. One of its prime attributes is its simplicity, with the attendant consequence of low costs for
construction, operation and maintenance relative to moving bed or fluidized bed operation. It

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requires a minimum of auxiliary equipment and is particularly appropriate for use in small
commercial units when investments of large sums for control, catalyst handling and supporting
facilities would be economically prohibitive-. Another major advantage of this mode of
operation is implicit in "fixed bed reactor" is that there are no problems in separating the catalyst
from the reactor effluent stream. In many fluidized bed systems catalyst recovery can be quite
troublesome and require substantial equipment costs. Another important attribute of fixed bed
reactors is the wide variation in space times at which they can be operated. This flexibility is
extremely important in situations where one is likely to encounter wide variations in the quantity
or quality of the feed stock to be processed. For example high temperatures or high pressure
reactions employing solid catalyst, economic considerations usually dictate that the process
becomes commercially viable only when a fixed bed reactor is employed.

For economical production of large amounts of product, fixed bed reactors are usually the
first choice, particularly for gas-phase reactions. Many catalyzed gaseous reactions are amenable
to long catalyst life (1-10 years); and as the time between catalyst changes outs increases,
annualized replacement costs decline dramatically, largely due to savings in shutdown costs. It is
not surprising, therefore, that fixed-bed reactors now dominate the scene in large-scale chemical-
product manufacture.
Fixed-bed reactors may also be classified into two major categories according to the heat
requirements:
» Adiabatic fixed bed reactors
» Non-adiabatic fixed bed reactors

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6.1.2 Selection of Reactor Type:

After analyzing different configuration of fixed bed reactors we have concluded that for
our system the most suitable reactors are multi tube fixed bed reactor. Because Different reactor
configuration for fixed bed reactors are shown in table.

Classification Use Typical Applications

Moderately exothermic or
Mild hydrogenation
Single adiabatic bed endothermic non-equilibrium

limited

Where low ΔP is essential

Radial flow and useful where change Styrene from ethyl benzene

in moles is large

Adiabatic beds in High conversion, equilibrium SO2 oxidation, Catalytic

series with reforming, Ammonia
limited reactions
intermediate cooling synthesis, Hydro cracking,
or heating Styrene from ethyl benzene

Many hydrogenations
Highly endothermic or
Ethylene oxidation to
Multi-tabular exothermic reactions requiring
ethylene oxide, formaldehyde
non-adiabatic close temperature control to
by methanol oxidation,
ensure high selectivity phathalic anhydride
production

Direct-fired Highly endothermic, Steam reforming

non-adiabatic high temperature reactions

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Hydrotreating is highly exothermic reaction, so cooling will be required otherwise the

temperature of reactor will rise and due to rise in temperature the catalyst activity and selectivity
will be affected and in turn, the formation of by-products will increase which is direct loss of
productions.
As reaction temperature is already high 340 oC if we keep the process adiabatic,
temperature of reactor will rise and the structure of the catalyst will be changed and catalyst will
be damaged. For such a situation the best reactor is multi-tube fixed bed reactor.

6.1.3 Construction and Operation of Multi-Tube Fixed Bed

Reactor

Because of the necessity of removing or adding heat, it may not be possible to use a single large-
diameter tube packed with catalyst. In this event the reactor may be built up of a number of tubes
encased in a single body as illustrated in figure. The energy exchange with the surroundings is
obtained by circulating, or perhaps boiling, a fluid in the space between the tubes. If the heat
effect is large, each catalyst tube must be small (tubes as small as 1.0 in. diameter are widely
used) in order to prevent excessive temperatures within the reaction mixture. A disadvantage of
this method of cooling is that the rate of heat transfer to the fluid surrounding the tubes is about
the same all along the tube length, but the major share of the reaction usually takes place near the
entrance. For example, in an exothermic reaction the rate will be relatively large at the entrance
to the reactor tube owing to the high concentrations of reactants existing there. It will become
even higher as the reaction mixture moves a short distance into the tube, because the heat
liberated by the high rate of reaction is greater than that which can be transferred to the cooling
fluid. Hence the temperature of the reaction mixture will rise, causing an increase in the rate of
reaction. This continues as the mixture moves up the tube, until the disappearance of reactants
has a larger effect on the rate than the increase in temperature. Farther along the tube the rate will
decrease. The smaller amount of heat can now be removed through the wall with the result that
the temperature decreases. This situation leads to a maximum in the curve of temperature versus
reactor-tube length.

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6.2 Effect of Variables on Multi-Tube Fixed Bed

Reactor:
Different parameters that affect the performance of fixed bed multi-tube reactor are:

6.2.3 Particle Diameter:

The overall heat transfer coefficient declines with decrease in particle size in the usual
practical range. Redial gradients increase markedly with decrease in particle size. Small size,
however, may improve rate or selectivity in some case by making catalyst inner surface more
accessible.

6.2.4 Tube Diameter:

Reducing tube diameter reduces the radial profile. Heat transfer area per unit volume is
inversely proportional to the tube diameter and reaction temperature is affected by a change in
this area.

6.2.5 Outside Wall Coefficient:

Improvement up to the point where this resistance becomes negligible is worthwhile.
Boiling liquids are advantageous because of the high heat transfer coefficient.

6.2.6 Heat of Reaction and Activation Energy:

Accurate values should be used since calculated temp. is sensitive to both of these, particularly
to the value of energy of activation. This must be determined carefully over the range of interests, but
calculated results should be obtained based on different activation energies over the probable range of
accuracy for the data so that final equipment sizing can be done with a feel for uncertainties.

6.2.7 Particle Thermal Conductivity:

One of the mechanisms of radial heat transfer in a bed, conduction through the solid
packing which must quite logically depend on the thermal conductivity of the bed, can be
reasoned to have some dependence on the thermal conductivity of the solid. But since it only
affects one of the several mechanisms, the proportionally cannot be direct. Differences in
effective conductivity and the wall heat transfer coefficient h between beds of packing having
high and low solid conductivity may be in the range of a factor of

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2-3. The largest difference will occur at lower Reynolds numbers. Most catalyst carriers have
low conductivities, but some such as carbides have high conductivities.

6.3 Preliminary Data for Reactor Design

Calculations:
Material Balance along the Reactor:

Reactor Inlet Reactor outlet

Temperature 340 oC 340 oC

Pressure 202 kPa 138 kPa

Mass Flow Rates (Kg/hr)

Total flow rate 178833.3 178833.3

Energy Balance along the Reactor:

Ref state: 25 oC and 101 kPa

Enthalpy of Reactants = -198782665 KJ kJ/hr

Enthalpy of products = 198978045.6 KJ/hr

Total Heat generated by reactions = - 872474.08 KJ/hr

Q load = -198782665 -872474.08 + 198978045.6

Q load = -677093.4 KJ/hr

Heat duty for cooling media = 677093.4 kJ/hr

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Reaction Phase:
Reactions are occurring in gaseous phase at 340oC and 202kPa in the presence
catalyst of NiO-MoO3 supported on alumina

6.4 Design Calculations:

6.4.1 Preliminary Calculations:

Reaction Kinetics:

C12H8S + 5H2 C12H16 + H2S

r1 (kmole/kgcat.sec) = k1CA k1 = 0.5 (m3/kgcat.sec)

Weight of catalyst:
On the basis of reaction

[( ) ]

Where,

Reactant Flow rate, = 9.836 x 10-3 (kmole/sec)

Reaction Constant, K1 = 0.5 (m3/kgcat.sec)

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Reactant Concentration, = 0 .0052 (kmole/m3)

Fractional Volume Change, = - 0.667

Conversion (First Rex), XA = 0.9

[( ) ]

W = 3670.18 kgcat

Type and volume of Catalyst:

A mixture of NiO-MoO3 having average particle size of 5mm is used as
catalyst in the process.

Bulk density of catalyst, ρc = 1200 Kg/m3

Bed void fraction,  = 0.4

Volume of catalyst = 3670.18/1200

= 3.058 m3

Reactor Volume:
Reactor volume can be calculated as:

Vr = Vcat / (1 - )

= 3.058 / (1 - 0.4)

= 5.097 m3

Reactor Geometry:
Assuming tube length of 2.5 m and taking the diameter of tube to prevent
deviation from plug flow assumption. Dt/Dp > 10‡

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Where,

Dt = diameter of tube

Dp = diameter of particle

Tube Dimensions:
Tube outside diameter do = 60.45 mm

Tube inside diameter di = 52.50 mm (Schedule No. 40)††

Total number of tubes Nt

⁄
So, = 5.097 / ( /4 x 0.052502 x 2.5)

= 940

Assuming triangular pitch arrangement then

P = 1.25do

Where P = tube pitch

do = outside tube diameter

So, P = 0.07556 m

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Shell Inside Diameter:

Numbers of tubes at bundle diameter are gives as:

√[ ]

Where, ND = number of tubes at bundle diameter

So, ND = 35
Di  PND  1

So, Shell inside diameter, Di = 2.75 m

Shell Height:
Length of tube = 2.5 m

Leaving 20 % spacing above and below

So height of shell = 2 (0.2  2.5) + 2.5

= 3.5 m

6.4.2 Pressure Drop Calculations:

Tube side pressure drop:

Using Eurgen equation.

ΔP  1  φ  G  1501  φ μ 
  3     1.75G
L  φ  DPρf g c   DP 

 = bed void fraction = 0.4

DP = particle diameter = 5 mm = 5 x 10-3

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ρf = feed density = 870 kg/m3

 = viscosity of feed = 0.9 x 10-3 kg/m. Sec

gc = 9.80 m/sec2

L = length = 2.50 m

Total flow area = Nt . π/4. di2

= 940 x π/4 x 0.052502

= 2.039 m2

Total mass flow rate = 178333.308 kg/hr

Total mass flow rate = 49.53 kg/sec

So, Superficial mass velocity = 9.53 kg/m2.sec

Putting values in above eq. gives

ΔP = 787.34 kg/m2 = 7.61 kPa

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Shell side pressure drop:

Heat duty Q = = 677093.4 kJ/hr

Cooling media

Brackish water is used as a cooling media in the reactor to maintain its

temperature.

Specific heat capacity of water = Cp = 144.40 kJ/kmole-K

Temperature difference, ΔT = 20 K

Mass flow rate of water required:

Q = m.Cp.ΔT

677093.4 = m x 4.18 x 20

Mass flow rate, mw = 8014.25 Kg/hr

Mass flow rate, mw = 2.23 Kg/sec

Shell side flow area:

⁄ [ ]

Where, Di = shell inside diameter = 2.72 m

Nt = total number of tubes = 940

do = tube outside diameter = 0.06045 m

Ac = 3.11 m2

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Equivalent Diameter:

[ ⁄ ⁄ ]
[ ]
⁄ ⁄

Putting values in above formula

= 0.879 m

Shell side mass velocity = water flow rate / shell side flow area

= 2.23 / 3.11

= 0.71 kg/m2 - sec

Viscosity = 1.98 x 10-3 kg/m-sec

GDe
Reynolds Number Re 


= 315.23

Friction factor for tube side, fs = 0.00514‡

Where

ΔPS = pressure drop

Gs = Shell side Mass velocity = 0.71 kg/m2.hr

Gs = 59459.8 lb/ft2/hr

L = length of tube = 8.2 ft

Nc = number of passes = 1

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De’ = Equivalent diameter = 3.015 ft

S = specific gravity = 0.87

 = 1

Putting above values

ΔPS = 0.00145 psi = 0.01 kPa (negligible)

6.4.3 Calculations of Heat Transfer Co-efficient:

Shell Side:

For Shell side heat transfer coefficient

Where,

k = Thermal conductivity of cooling salt

= 0631 x 10-6 W/m-K

De‘= Shell side equivalent dia = 0.879 m

For Reynolds Number 315.23, JH = 9

Assuming,  = 1

So,

Shell side heat transfer coefficient, ho = 2023.6 W/m2-K

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Wall Resistance:

( ⁄ )

Where,

Kw = Thermal conductivity of wall = 43.26 W/m-K

So, Rw = 8.63 x 10-5 m2-K/W

Tube Side:

An equation proposed by LEVA to find heat transfer co-efficient inside the

tubes filled with catalyst particles.

0.7  Dp 
hi D  DpG   4.6 
 3.5  e  D 
k  μ 

G = tube side mass velocity = 9.533 Kg/m2-sec

 = viscosity of tube side fluid = 3.19 x 10-5 Kg/m-sec

k = 0.497 W/m-K

Dp = diameter of particle = 5 mm

D = Inside diameter of tube = 52.50 mm

Putting values in above equation

hi = 293.92 W/m2-K

Inside dirt coefficient:

hid = 2840 W/m2-K

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Outside dirt coefficient:

hod = 1704 W/m2-K

Over all H.T. Coefficient:

do = tube outside diameter = 60.45 mm

di = tube inside diameter = 50.50 mm

Ui = overall heat transfer on the basis of inside diameter

By putting the values

Ui = 210.8 W/m2-K

Area required for Heat Transfer

Q = 6.7 x 106 kJ/hr

LMTD = 87.1 oC

Area required for Heat Transfer = 364.89 m2

Area Available for Heat Transfer

Length of tube, Lt = 2.5 m

Inside Diameter of tube, di = 0.05045 m

= 940 x π x 0.05045 x 2.5

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= 372.45 m2

So sufficient area is available for heat transfer

6.5 Specification Sheet:

Reactor

Item: Fixed Bed Multi-Tubular Reactor

Function: To convert Dibenzotiophene into products by catalytic

hydrogenation.

Tube side: Catalyst weight = 3670 Kg

Material Handled: Pellet Size = 5mm

1) Reaction mixture Porosity = 0.4

consisting of sulfurous compound
Tubes:
2) Catalyst, Mixture of
NiO-MoO3 Outside diameter = 60.45mm

Flow Rate = 178333.3 Kg/hr Inside diameter = 52.50mm

Pressure = 202 kPa Schedule No. = 40

Temperature = 340 oC Tube length = 2.5 m

Reactor volume = 5.097 m3 940 tubes with triangular pitch are

aligned vertically in the shell

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Shell Side: Shell:

Fluid Handled = Cooling Shell Inside diameter = 2.75 m

Water
Shell Height = 3.5m
Heat Duty = 2.37 x 107 kJ/hr
Shell Thickness = 4.2 mm
Flow Rate = 181 Kg/sec
Construction Material = Carbon
Inlet Temperature = 340 oC Steel

Temperature Change = 20oC

Pressure = 101 kPa

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