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Ideal - Batch and Semi - Batch Reactors Design 2. 1 The Ideal Batch Reactor
Ideal - Batch and Semi - Batch Reactors Design 2. 1 The Ideal Batch Reactor
CA,0 t=0
CA,0
XA
t=t1
t=t2
CA
CA,n t=tn
t
t1 t2 t Figure 2.4 The concentration inside the batch reactor
Figure 2.3 Variation of conversion
Figure 2.2 Variation of
with time in a batch Reactor
concentration with time in a
batch reactor
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rAV f =
dn A (2.2) Equations (2.3) and (2.4) are the general design equations
dt showing, the reaction time required for either constant or
and for the disappearance of reactant A, variable volume in isothermal or non-isothermal
operation. Thus, the volume of reacting fluid and the
(− rA )V f = − dn A (2.2.1)
dt reaction rate remain under the integral sign, since they
By integration over the period of the reaction to a final mole, we both change as reaction proceeds
obtain the basic design equation for a batch reactor. Time involvement of the operation in batch reactor.
n A 1 dn In completing a batch process, four types of periods
tr = − ∫ A (2 3)
(2.3) are required.
required These are:
n A,0 V f ( − rA ) • Preparation time tch, during which a reaction is made
ready and fresh reactants are charged.
In a batch reactor, we are interested in determining how long • Reaction time, tr, during which the reaction proceeds to
we should keep the reactants in the reactor to achieve a the desired conversion.
certain conversion • Recovery time, td, during which the product is
X A dX discharged and return to the normal operating condition.
tr = n A,0 ∫ A (2.4) •Cleaning time, tcl , during which the reactor is cleaned.
0 V f ( −rA )
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The total time (cycle time), tc, is the time where one 1
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(-rA) Equation (2.4.1)
operating cycle of a batch reactor is described. (-rA)V Equation (2.4)
Area = tr
tc = tch + tr + td + tcl (2.5) Area = tr CA,o
nA,o
The capacity of the batch reactor, which is the quantity
of the product obtained per unit time is reduced due to this XA,f XA
auxiliary time, and it is the major limitation of a batch XA,f XA
reactor especially when it is used for a bigger product operation.
Figure 2.6 Levenspiel Plots to find the reaction time
To carry out the integration of the design equation (2.4.1),
(2 4 1) Th integral
The i t l also
l can be
b evaluated
l t d using
i numerical
i l methods
th d
we need to know how the reaction rate (-rA) varies with the such as, Trapezoidal rule, Simpson's rule, Five-point
conversion of the reacting species quadratic formula.
As for an illustration, the so called Simpson's one-third rule to
Generally given (-rA)as a function of conversion evaluate the integral
(concentration), one can find the time of reaction and
eventually also the size of a reactor. We do this by X A, f
dX A ΔX ⎡ 1 4 1 ⎤
constructing the so called a Levenspiel plot = + +
∫
0 ( − rA ) 3
⎢
(
⎢⎣ A− r )( X A,0 ) ( − rA )( X A,1 ) ( − rA ) X
⎥
A, f ⎦⎥ ( )
Relevant in reactor design Step1 : We begin by applying our general mole balance
is a mathematical description that can predict reactor outlet equation to arrive at the design equation of the batch
concentration and temperature from reactor.
inlet concentration, rate of reaction and reactor Step2 : We determine the rate equation as the function of
dimensions. concentrations.
These equations by nature are complicated unless systematically Step3 : We change the concentration in terms of conversion
organized and solved. One way of solving such equations is by
using algorithm.
using stoichiometry relationship.
Step4 : Combine the steps 2 and 3 to obtain − rA = f (X A) ( )
Algorithm
g is a rule or calculation pprocedure for solvingg a Step5: Evaluate the integral using graphical, numerical,
mathematical problem that frequently involves extensive analytical, software package etc.
numerical operations.
Summarizing the algorithm for batch reactor design gives,
For an example, if we want to design isothermal batch reactor, the
algorithm steps will be as under:
9Mole Balance and Design Equation.
9Rate Law.
9Stoichiometry
9Combination
9Evaluation
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Let us consider the following highly exothermic reaction carried Since k is a function of temperature and in adiabatic
C A ,o
adiabatically in a batch reactor
out yields reaction, temperature is changing during the course of
A→ B reaction i.e., k is also varying. This forces us not to take k
Our object is to calculate the reaction time for 60% conversion. outside the integral, hence the overall equation becomes,
• Mole balance design equation (2.4.1) gives,
X A, f X A. f
dX A dX A
tr = C A,O ∫ tr = ∫
0 − rA )
( 0 K o exp ⎜ 1 − 1 ⎟⎞⎤ (1 − X A )
⎡ E ⎛
• Rate Law, for first order reaction is ⎢ R ⎜ T T ⎟⎥
⎣ ⎝ o ⎠⎦
(− rA ) = kC A
• Stoichiometry To solve this equation, we need a relation of XA and T.
Liquid phase V f = V0 C A = C A,0 (1 − X A ) This type of problems forces us to use both the material and
• Combining and canceling the entering concentration energy balances. To calculate the heat effect in batch
X A, f reactor, we use the energy balance equation as it is
dX A
tr = ∫
0 k (1 − X A ) ⎡ dT
Recalling the Arrhenius equation ⎛ 1 1 ⎞⎤ mT C P + ΔH R (rV ) = KA(TS − T )
k = k0 exp ⎢ E ⎜⎜ − ⎟⎟⎥ dt
R⎝T T ⎠
⎣ 0 ⎦
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Temperature
This is sometimes called thermal reactors. Two cases
Controller
¾ Due to the nature of reaction, heat is absorbed or released,
¾ Deliberately heat is introduced or removed from the reactor,
which accounts for heat losses to the surrounding.
i.e the temperature is not constant and varies during the
Steam course of reaction, then the rate of reaction will be a function of
temperature as well as conversion
(− rA ) = f (C , T )
Thus the design of non-isothermal reactors
requires simultaneous solutions of the material and energy
The material balance can be rearranged
dX A
balance equations
(− rA )VR = n A,0 There are a lot of questions to be answered to design
dt
Combining the equations gives such type of reactors, such as type of materials of
dx
(− ΔH R )n A,o A = KA(T − TS ) construction, heat transfer equipment etc.
dt
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The heat balance for non isothemal becomes, The Equation shows three variables,
dT 9time of reaction,
mT C P + ΔH R ( rV ) = KA(TS − T )
dt 9 conversion and
Taking as an example of a first‐order elementary reaction, 9 temperature.
the rate of reaction becomes, (− rA ) = kC A,0 (1 − X A ) The most important parameter is the reaction time or
and the rate constant is defined using Arrhenius Law, eventually the size of a reactor for a particular conversion
The time of a reaction required for a particular conversion
k = A exp .⎛⎜ −
E ⎞
⎟ involves simultaneous solutions of the material
⎝ RT ⎠
And rate as a function of both conversion and temperature X A. f
becomes dx A
tr = C A,0 ∫
(− rA )
(− rA ) = A exp⎜⎛ − E ⎞⎟C A,0 (1 − X A ) 0
⎝ RT ⎠ and energy balances
Substituting the rate equation to the energy balance for non- Simultaneous solution of material and energy balance in
isothermal operation gives, analytical form is difficult and numerical methods or analogy
simulation must be used. Analytical solution is possible by
= A exp⎜⎛ −
dT E ⎞
mT C P ⎟C A,0 (1 − X A )(− ΔH R )VR + KA(TS − T ) using the so called trial and error method
dt ⎝ RT ⎠
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Where ΔTad
mT C P
is the adiabatic temperature rise of the reaction mixture. This b=
(− ΔH R )n A,0
adiabatic temperature rise indicates about how much the 1
temperature of the reaction mixture would rise if the reaction The sign of the slope depends on that of enthalpy change: (-)
is to proceed adiabatically to completion. exothermic,(+) endothermic
The relationship between the temperature and the
conversion in an adiabatic reactor gives. (a) Endothermic b) Exothermic
T − T0 = ΔTad X A
1
or M t i l
Material
T = T0 + ΔTad X A Material
balance
balance Energy
or 1 XA XA balance
XA = (T − T0 ) Energy
ΔTad
balance
For an assumption of C P , (− ΔH R ), ρ
are independent of temperature, conversion as a linear function
of temperature is shown in Figure ( 2.13 ). The straight line To To
described by equation (2.33.2) intersects the temperature axis T T
at point T = T0 and the slope of such curve becomes. Figure 2.13 Variation of conversion versus temperature
To T
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2.1.3 Available Technologies A batch reactor is usually This type of reactor is used especially for high corrosion
implemented in the industry for small scale operation, mostly materials. Table 2.2 gives the main characteristics of a standard
for testing new products that have to be fully developed and for reactors that are sold commercially. Figure 2.15 shows the
the processes that are difficult to convert to continuous illustrations of a simple batch reactor working in the industry.
operations. Table 2.2 Main characteristics of standard reactors available in the
The main advantage of batch reactor are market
¾ high conversion with a long time and
¾The equipment required to conduct a batch operation is
relatively simple and encompasses.
The disadvantage counts to high labor cost per unit
production and the difficulty in obtaining large scale
production
(A) Reactor
It is often a vertical cylinder with an elliptical bottom. The reactor
should be constructed in such a way that it can withstand vacuum
and some internal pressure. The material used for its
construction is generally suitable for various reactionary
processes. Most often used is a glass-lined steel vessel.
Exchange 18.6 26.6 40.0 45.6 19.8 33 38.8 4.45 10.9 11.15 19.5 3.4
area(m2) (1)
0 0
DE DE DE DE DE DE DE DE DE SE SE DE
Service 1.5 1.5 1.5 1.5 6 6 6 6 6 6 6 1.5
Pressure(bar
)
Material) AV AV AV AV AV AV AV AI AI AI AI V
DE = double jacket, SE = welded external coil, AV = glass-lined steel, AI = Stainless steel, V= Figure 2. 16 Batch reactor with double jacket
glass
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Figure 2.18 Batch reactor with double jacket and internal coil
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2. Energy Balance
The energy balance for semi- batch operation can be written
using all items in energy balance of equation( 1.10.3), namely
dT
mT C P + ΔH R ( rV ) = ( H F − H E ) + KA(TS − T )
dt
or
dT
mT CP = −ΔH R (rV ) = FT CP (T0 − TR ) + KA(TS − T )
dt
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