Conversion and Reactor Sizing

Objectives
• To derive the design equation for CSTRs and PFRs
-Determine reactor size necessary to achieve a specified conversion with
relationship between reaction rate and conversion
-Definition of conversion
-Expression of balance equations in terms of conversion
• To compare CSTRS and PFRs and overall conversions for reactors
arranged in series
• To arrange reactors in series for a specified conversion

◆ Definition of conversion
• Limiting reactant as the basis

How many moles of C are formed for every mole A consumed ?

Moles of A reacted
• Conversion of A, XA =
Moles of A fed

For irreversible reactions, the maximum conversion = 1.0

For reversible reactions, the maximum conversion = the equilibrium conversion, Xe
◆ Batch reactor design equations
• In batch system, the conversion is a function of time the reactants spend in the reactor
Total number of moles of A that have reacted after a time t

The number of moles of A that remain in the reactor after a time t, NA

If no spatial variation in reaction rate:

Design equation for a batch reactor

✔ Differential form of the design equation

for batch reactor
 For a constant-volume batch reactor, V=Vo

To determine the time to achieve a specified conversion X

✔ Integral form of the design equation for a batch reactor

◆ Design equations for flow reactors

• Bigger/longer the reactor, the more time it will take the reactants to flow completely
through the reactor conversion as a function of reactor volume
Molar rate at which species A is reacting within the entire system
 Molar flow rate of A leaving the system, FA

✔ For liquid systems, CAO in terms of molarity

For gas systems, CAO calculated by EOS

❖ Continuous-Stirred Tank Reactor (CSTR)

Mole balance on species A

✔ CSTR volume necessary to

achieve a specified conversion
❖ Tubular Flow Reactor (PFR)
Mole balance on species A

PFR volume necessary to achieve a specified conversion

❖ Packed-Bed Reactor (PFR)

If no pressure drop

Determination of the catalyst weight necessary to achieve a

conversion when the total pressure remains constant
◆ Applications of the design equations for continuous-flow reactors
With the rate of reaction as a function of conversion, sizing CSTRs and PFRs
Usually, the rate of reaction is a function of concentrations
When only one reaction is occurring, each of the concentrations can be expressed
as a function of conversion
The greatest rate at the start of rxn
As rxn proceed, rate become smaller

For an irreversible rxn,

For a reversible rxn,

If FAO = 0.4 mol/s
 Example 2-2 Sizing a CSTR

Reaction, A B, is to be carried out in a CSTR. FAO=0.4mol/s

Using data, calculate the volume necessary to achieve 80% conversion in a CSTR
Shade the area in Fig. that would give the CSTR volume necessary to achieve 80% conversion
V as a function of FAO, X, and -rA
 Example 2-3 Sizing a PFR

Reaction, A B, is to be carried out in a PFR. FAO=0.4mol/s

Using one of the integration formulas, determine PFR reactor volume necessary to achieve 80%
conversion.

The differential form of the mole balance

Five point quadrature formula

Shade the area in Fig. that would give the PFR volume necessary to achieve 80% conversion

Plot (FAO/-rA) vs. X

Make a qualitative sketch of the conversion, X, and the rate of reaction, -rA, down the length of
the reactor
For X=0.2

For X=0.4
Example 2-4 Comparing CSTR and PFR sizes
Comparing V of CSTR and PFR for the same conversion under same conditions

Usually, CSTR V > PFR V

:CSTR is always operating at the lowest reaction rate, while PFR starts at a high rate at
the entrance and gradually decreases to the exit rate, requiring less V (V ∝ 1/r)
◆ Reactors in Series
For reactors connected in series (without side streams), definition of conversion
in terms of location at a point downstream

Molar flow rate of A at point i

❖ CSTRs in series
A mole balance on reactor 1

Molar flow rate of A at point 1

A mole balance on reactor 2

Molar flow rate of A at point 2

 Example 2-5 Comparing volumes for CSTRs in series
For the two CSTRs in series, 40% conversion is achieved in the first reactor. What is the
volume of each of the two reactors necessary to achieve 80% overall conversion of the
entering species A

For reactor 1,

For reactor 2,

Volume in one CSTR

 Approximating a PFR by a large number of CSTRs in series

If making the volume of each CSTR smaller and increase the number of CSTRs
: The total volume of the CSTRs in series and the volume of the PFR is identical
Possible to model a PFR with a large number of CSTRs in series
❖ PFRs in series

Example 2-6 Sizing PFRs in series

Intermediate conversion: 40%, final conversion: 80%, FAO: 0.4 mol/s

For the first reactor, X0=0, X1=0.2, X3=0.4, ∆X=0.2

For the second reactor, X0=0.4, X1=0.6, X3=0.8, ∆X=0.2

The total volume

❖ Combinations of CSTRs and PFRs in series

Reactor 1

Reactor 2

Reactor 3
Example 2-7 An adiabatic liquid-phase isomerization
Calculate the volume of each of the reactors for an entering molar flow
rate of n-butane of 50 kmol/hr
✔For the first CSTR
When X=0.2, then FAO/-rA =0.94

✔For the PFR

Using Simpson’s three-point formula with, X0=0.2, X1=0.4, X3=0.6, ∆X=0.2

✔For the last reactor (CSTR)

Mole balance on A for the CSTR

From table
❖ Comparing the CSTR and PFR volumes and reactor sequencing

VPFR > VCSTR VCSTR > VPFR

Which reactor should go first to give the highest overall conversion

It depends not only on the shape of the Levenspiel plots but also on the relative reactor sizes
a trial-and-error solution
◆ Some further definitions
❖ Space time (holding time, mean residence time)
The time necessary to process one reactor volume of fluid
based on entrance conditions
If υo=0.01 m3/s
❖ Space velocity

For space time, the entering volumetric flow rate is measured at the entrance condition
While for SV, other conditions are often used
- LHSV: υO of a liquid at 60 or 75oF
- GHSV: υO of a gas at STP

For reactions in which the rate depends only on the concentration of one species

When υO=υ
◆ Summary
-To define the parameter conversion and to rewrite the mole balances in terms of
conversion
-To show that by expressing –rA as a function of conversion, a number of reactors and
reaction systems can be sized or a conversion be calculated from a given reactor size
-To relate the relative rates of reaction of reactants and products

-The conversion X is the moles of A reacted per mole of A fed

- For reactors in series without side stream, conversion at a point i

- In terms of the conversion, the differential and integral forms of the reactor design equations
- Using –rA as a function of conversion, determination of CSTR and PFR reactor volume

- Space time and space velocity