Ideal reactors

• Ideal reactors are useful models which are easy to treat

(it is easy to find their performance equation).

• One of them usually represents the best way of contacting

the reactants and for this reason we often try to design real
reactors so that their flows approach these ideals.

• When the behaviour of real reactors deviates from that of

ideal reactors, it can be described by appropriate
combination of ideal reactors (modelling of real reactors
with ideal reactors).

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 Outline
• Ideal reactor types: batch reactor (BR),
continuously stirred tank reactor (CSTR),
plug flow reactor (PFR)
Application of continuous/discontinuous reactors

• Performance equations:
mass (and energy) balances
reaction time t for BR
residence time τ for CSTR, PFR
comparison between PFR and CSTR

2
 Ideal reactor types

1. Batch Reactor (BR)

[German: Absatzweiser Rührkessel (AIK)
diskontinuierlich betriebener Rührkesselreaktor]

2. Continuously operated Stirred Tank Reactor (CSTR)

[German: KontinuierlicherDurchflußrührkessel (KIK)
kontinuierlich betriebener Rührkesselreaktor]

3. Plug Flow Reactor (PFR)

[German: Strömungsrohrreaktor (IR)]

IN OUT
3
 Batch reactor (BR)

• The BR operates in a discontinuous way:

the reactants and any additional substances
(catalyst, solvent etc.) are loaded into the reactor,
well mixed and left to react for a certain period.
The resultant mixture is then discharged.

• In the course of this process, the composition in the

reactor changes continuously: the BR operates in a
unsteady mode with respect to time.

• At any instant the composition throughout the reactor is

uniform: the BR operates in a steady mode with
respect to space.
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 Operation mode – ideal BR
A → products (irreversible unimolecular reaction)
d [ A]
rA = − = k [ A]
1
If the reaction is 1st order:
dt

[A0]
[A] = [A0 ]e − kt
[A0] t=0
[A] [A]

[AE] [AE] t=tE

t=tE t x
0 0

Unsteady-state operation Steady-state operation

with respect to time with respect to position
5
 Operation mode – ideal BR

c0 c1 c2
c0 c1 c2
c0 c1 c2

t0 t1 t2

steady mode
with respect to unsteady mode with respect to time
position 6
 Continuously operated stirred tank reactor (CSTR)
• The CSTR operates in a continuous way:
the reactants are continuously fed into the reactor
and products are continuously drawn from the reactor.
The content of the reactor is well stirred so that
concentration and temperature are uniform throughout
(they correspond to those of the exit stream; 100% of
backmixing).
• In the course of this process, the composition in the reactor
does not change: the CSTR operates in a steady mode
with respect to time.
• At any instant the composition throughout the reactor is
uniform: the CSTR operates in a steady mode with
respect to space.
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 Operation mode – ideal CSTR

[A0] [A0]

[AE] [AE] t
t x
0 0
Steady-state operation Steady-state operation
with respect to time with respect to position

In a CSTR the composition in the reactor is always

that of the exit stream.
8
 Operation mode – ideal CSTR

ce ce ce
ce ce ce
ce ce ce

t0 t1 t2
steady mode
with respect to
position
steady mode with respect to time
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 Plug flow reactor (PFR)
• The PFR operates in a continuous way:
the reactants are continuously fed into IN OUT
the reactor and products are continuously drawn from the reactor.
The flow of fluid through the reactor is orderly with no element of
fluid overtaking or mixing with any other element ahead or
behind. There may be lateral mixing but no mixing or diffusion
along the flow path (0% of backmixing).

• In the course of this process, in any point of the reactor the

composition does not change: the PFR operates in a steady
mode with respect to time.

• At any instant the composition throughout the reactor varies from

point to point: the PFR operates in a unsteady mode with
respect to space.
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 Operation mode – ideal PFR

[A0] x=0 [A0]

[A] [A]

[AE] x=L [AE]

0
t
0 L x
Steady-state operation Unsteady-state operation
with respect to time with respect to position

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 Operation mode – ideal PFR
steady mode
ci (t1 ) = ci (t 2 ) = ........ = ci (te )
with respect
to time

c0 c1 c2 c3 c4 c5 c6 c7

unsteady mode with respect to position

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 Discontinuous and continuous reactor
• The batch reactor (discontinuously operated reactor) is simple, needs
little supporting equipments, present high flexibility. Large conversions
can be reached as the reaction time may be arbitrarily long.
Disadvantages are idle periods (for loading, unloading, heating).
Therefore it is ideal for small-scale experiments (kinetics studies).
Industrially it is used when relatively small amounts of material are
manufactured (drugs, dyes, cosmetic articles).

• Continuously operated reactors (PFR and CSTR) need reduced

volume at the same production level as in the BR because the plant
never runs idle.
They are ideal for industrial purposes when large quantities of
material are to be processed and when the rate of reaction is high.
Supporting equipment needs are great; however extremely good
product quality control can be obtained.
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 Performance equations
Definition
The performance equations interrelate four parameters:
1. rate of reaction r [mol/m3*s]
2. conversion Χ [%]
3. reactor volume V [m3]
4. Volumetric feed rate v [m3/s ].

If any one of these quantities is unknown, it can be found from

the other three.

The starting point for performance equations are material and

energy balances.

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 Material balance
If the composition within the reactor is uniform (independent of position), the
balance may be made over the whole reactor.
When the composition is not uniform, it must be made over a differential
element of volume and integrated across the whole reactor volume for the
appropriate flow and concentration conditions.
The resultant integrated expressions are performance equations.

An equation for conservation of the masses has to be written for each component:

IN = OUT + REAC + ACC

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 Energy balance
In nonisothermal operations energy balances must be used in conjunction
with material balances.
Again, depending on circumstances, this accounting may be made either
about a differential element of reactor or about the reactor as a whole.

IN = OUT + REAC + ACC

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 Material - energy balances
IN = OUT + REAC + ACC

Material balance

Energy balance

The material balance and the energy balance are tied together
by their third terms because the heat effect is produced by the
reaction as well.
We will limit ourselves to the easy case of isothermal operations
and therefore we will use only the material balance.
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 Performance equation - ideal BR
Make the balance for the limiting component A.
In a BR, since the composition is uniform throughtout at any instant of time,
the balance can be made in the whole reactor.
General material balance: IN = OUT + REAC + ACC
Simplification for BR: IN = OUT = 0
0 = REAC + ACC
REAC (moles / time) = (rA )V Irreversible single reaction AÎB

dn A d [n A0 (1 − Χ A )]
nth-order,
dΧ A
ACC (moles / time) = = = − n A0 rA=kCAn, with n>0
dt dt dt
dΧ A Area = t /cA0
0 = − n A0 + (rA )V
dt ΧA
dΧ A
t = c A0 ∫
ΧA
dΧ A
t

∫ dt =t = nA0
0
∫
0
V (rA ) 0
(rA )

t = reaction time: performance parameter for BR

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 Reaction time t and residence time τ

• The reaction time t is the natural performance measure for

BR (discontinuous reactor).

• For continuous reactors (CSTR and PFR) we should use the

residence time τ = time required to process one reactor
volume of feed measured at specified conditions.

If these specified conditions are those of the stream entering

the reactor:
τ = V/vo = (reactor volume)/(volumetric feed rate)

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 Performance equation - ideal PFR
Make the balance for the limiting component A.
In a PFR, since the composition of the fluid
varies from point to point along the flow path at
any instant of time, the balance must be made for
a differential element of volume dV.
General material balance: IN = OUT + REAC + ACC
Simplification for PFR: ACC = 0
IN = OUT + REAC
IN (moles / time) = FA molar feed rate (mol/s)
OUT (moles / time) = FA + dFA
REAC (moles / time) = (rA )dV
0 = dFA + (rA )dV Irreversible single reaction AÎB
nth-order, rA=kCAn, with n>0
FA = FA0 (1 − X A ) 0 = − FA0 dX A + (rA )dV
V XA
dV
∫0 FA0 = ∫
dX A
Area = τ /cA0
0
rA XA
dX A
τ v0 Tτ = c A0 ∫
XA
V τ dX A
=
FA 0 c v
=
c A0
= ∫
0
rA 0
rA
A0 0
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 Performance equation - ideal CSTR
Make the balance for the limiting component A.
In a CSTR, since the composition is uniform throughtout at
any instant of time, the balance can be made in the whole reactor.
General material balance: IN = OUT + REAC + ACC
Simplification for CSTR: ACC = 0
IN = OUT + REAC
IN (moles / time) = FA 0
Irreversible single reaction nth-order,
OUT (moles / time) = FA 0 (1 − X A ) AÎB (-rA)=kCAn, with n>0

REAC (moles / time) = (rA )V Area = τ /cA0

0 = − FA0 X A + (rA )V

= τ 0 = τ = A
V v X
XA
FA 0 c v
A0 0
c A0 rA Tτ = c A0
rA

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 Graphic comparison of ideal CSTR and PFR

Irreversible single reaction nth-

order,
AÎB (-rA)=kCAn, with n>0

τ = V/v0

• For any particular duty and for all positive reaction orders the
CSTR is always larger than the PFR.
• An arrangement of an infinite number of CSTR in series,
with total volume V, has the same performance of a PFR of
volume V. 22
 Books

• Octave Levenspiel
Chemical Reaction Engineering, third edition, Wiley (1999).
Chapter 3-4.

• http://www.ltc1.uni-erlangen.de/htdocs/e/index.htm
Chapter VI.1, VII.1

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 Vocabulary
Accumulation Akkumulation
Backmixing vollständige Rückvermischung
Batch reactor absatzweiser Rührkessel (AIK),
diskontinuierlich betriebener Rührkessel
Continuously operated stirred tank reactor kontinuierlicher Durchflußrührkessel (KIK)
kontinuierlich betriebener Rührkesselreaktor
Conversion Umsatz
Diffusion Diffusion
Energy balance Energiebilanz
Ideal reactors ideale Reaktoren
Material balance Stoffbilanz
Mixing Vermischung
Modelling of real reactors Modellierung realer Reaktoren
Nonisothermal operations Nicht-Isothermalebetriebsweise
Operation mode Betriebsweise
Plug flow reactor Strömungsrohrreaktor (IR
Reaction time Reaktionszeit
Real reactors reale Reaktoren
Residence time Verweilzeit
Steady-state with position örtlich stationär
Steady-state with time zeitlich stationär
Unsteady-state with position örtlich instationär
Unsteady-state with time zeitlich instationär
Volumetric feed rate volumetrische Zuflussrate

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