Chemical Reactor Technology

Notes Prepared by:

Dr. Husain Bahzad
CH2:
Conversion
and reactor
Sizing
 Chapter Outline

• Define the reaction conversion and rederive all the balance equations for batch, CSTR, PFR
and PBR in terms of conversion.

• Use the mole balance equations in addition to the relation between the conversion and reaction
rate to size CSTR and PFR.

• Arrange CSTR and PFR reactor in series and find the best arrangement needed either to
achieve the highest conversion or lowest size.
 2.1 Definition of Conversion

•  Consider the following general reaction:

• The lowercase letter in the above reaction represents the stoichiometric coefficient of the
reactants or products.

• We choose the limiting reactant as the basis of our calculation to define the conversion. Here
reactant A is the limiting reactant.
 2.1 Definition of Conversion

•  In order to determine how the reaction will proceed to generate products (C and D), The
conversion concept was introduced.

• The conversion is defined as the number of moles of A reacted to the number of moles of A
fed to the reactor. It is represented mathematically as:

• For irreversible reaction i.e (reaction in one direction) the maximum conversion is 1 , For
reversible reaction (two sided reaction) the maximum conversion is equilibrium conversion
 2.2 Batch Reactor Design Equation

•  For batch reactor, the conversion depend on the time the reactant spend in the reactor.

• Therefore, the longer the reactant stay in the reactor, the higher conversion is obtained until the
reactant is exhausted.

• Considering as the initial moles of reactant A fed to the batch reactor, is the moles of A the
reactor at any time t
 2.2 Batch Reactor Design Equation

•  Thus, the moles of A reacted can be represented as:

• Also, from the conversion equation the moles of A reacted is:

• Hence, the number of moles of A for any conversion achieved at time t is:
 2.2 Batch Reactor Design Equation

•  Recall the mole balance equation for batch reactor from chapter 1 (Eq.1.5)

• Differentiating equation (2-4) with respect to time yields:

• Substituting the above equation into equation 1-5 results:

 2.2 Batch Reactor Design Equation

•  Eq.(2-6) is called the design equation for batch reactor in differential form.

• To determine the time needed to achieve the required conversion, Eq.(2-6) is re-written as:

• Integrating the above equation from time 0 (i.e when the reaction starts) to time t reached at
the specified conversion yields:
 2.3 Design Equations For Flow Reactors

•  For flow reactor, the conversion depend on the reactor volume.

• The bigger/longer the reactor more time will be given for reactant to flow and react
completely and vice versa.

• For the same reaction mentioned in Eq.(2-1), the inlet mole flow rate of reactant A is , then the
moles of A reacted is represented by:
 2.3 Design Equations For Flow Reactors

•  The moles of A leaving (exiting) the reactor is derived from mole balance as:

• The inlet molar flow rate of A is a function of concentration and volumetric flow rate, can be
written as:

• For a ideal-gas system, the concentration and flow rate can be represented by:
 2.3.1 Design Equation for CSTR

••  Recall the reaction mentioned in Eq (2-1):

• The mole balance for CSTR reactor for reaction (2-1) is:

• rewrite in terms of conversion X and substitute in Eq.(2-11) yields:

• Eq (2-13) represents the volume necessary to achieve conversion X

 2.3.2 Design Equation for Tubular Flow Reactor (PFR)

•  Recall the mole balance equation for PFR reactor developed assuming the concentration,
temperature and reaction rate is changing along reactor length:

• Differentiating the molar flow rate of reactant A in term of conversion with respect to volume
results:
 2.3.2 Design Equation for Tubular Flow Reactor (PFR)

•  Substituting the previous equation into Eq.(2-14) results:

• In order to determine the volume necessary to achieve conversion X, Eq.(2-15) is integrated

from V = 0 to V and X from 0 to X as:
 2.3.3 Design Equation of Packed Bed Reactor

•  Recall the mole balance equation for PBR reactor:

• Differentiating the molar flow rate of reactant A in term of conversion with respect to catalyst
weight results:

• The integral form of the PBR reactor to determine the weight of the catalyst necessary to
achieve conversion X is:
 2.4 Applications of the Design Equations for Continuous-Flow
Reactor

•  In this section, the CSTR and PFR reactor will be sized
by the knowledge of the reaction rate data.

• For the following reaction: , Given the data for

conversion as a function of reaction rate, both CSTR
and PFR reactor will be sized.

• From Figure 2-1, as the conversion increases, the

reaction rate decreases, thus increases as it goes to
infinity when X approaches 1.
 2.4 Applications of the Design Equations for Continuous-Flow
Reactor

•  Given the previous data for as function of X.

• Inlet mole flow of A is multiplied by X and the according to the design equations for CSTR
and PFR to determine their volume.

• This data is presented in Table 2-3 and Figure 2-2

 2.4 Applications of the Design Equations for Continuous-Flow
Reactor

•  If CSTR reactor is used for the given data, The volume of the reactor necessary to achieve 80%
conversion can be calculated from design equation as:

• From Table 2-2, at X = 0.8, , then the volume is .

• Therefore, the volume is basically the area of the rectangle from Figure 2-2 with length 0.8
(conversion) and width 8 ()
 2.4 Applications of the Design Equations for Continuous-Flow
Reactor

•  If PFR reactor is used for the given data, The volume of the reactor necessary to achieve 80%
conversion can be calculated from design equation as:

• To determine the volume, the integration must be evaluated numerically from the given data
using five point quadrature rule as shown below.

• For N=5 data points, were N is even:

 2.4 Applications of the Design Equations for Continuous-
Flow Reactor

•  Using Eq.(A-25) for the data given in Table 2-3 to determine the volume of PFR as:
(5 data points), Therefore, the volume is

Value of at various conversion are taken from Table 2-2 and substituted in the above equation
as:
 2.5 Reactors in series

•  Reactors can be connected in series, so the exit stream from one reactor is fed to another to
enhance the overall conversion of the process.

• For this case the conversion is defined in terms of a certain point in the process rather than the
conversion of single reactor.

• Mathematically the conversion and the mole flow of A at point i is represented as:
 2.5 Reactors in series

•  For the arrangement shown in Figure 2-3, the conversion is the conversion achieved at the end
of PFR, is the conversion achieved after the 2nd CSTR reactor, and finally is the final
conversion of the process.
 2.5.1 CSTR in series

•  Consider the reactors configurations shown in Figure 2-4:

• The molar flow rate of A at point 1 is:

• The volume of reactor 1 (point 1) is given by:

 2.5.1 CSTR in series

•  The molar flow rate of A at point 2 is:

• The volume of reactor 2 (point 2) is given by:

 2.5.2 PFR’s in series

•  For the two PFR connected in series as shown in Figure 2-7:

• The total volume of two reactors are given by:

2.5.3 Combination of CSTR and PFR in series