Introduction to chemical

From a chemical engineer point of view

reactor design
Before to start…

Reliable design depends

in a major way on the
quality of experiments on
which the design data are
based
Methods of measurement and data analysis

Fundamental kinetic Empirical kinetic

studies studies

Graphical or
Rate equations
regression techniques
combined with scale-
combined with scale-
Up
up
Methods of measurement and data analysis

Intrinsic rate expression

Empirical kinetic
based on a mechanistic
description studies

Graphical or
Rate equations
regression techniques
combined with scale-
combined with scale-
Up
up
Methods of measurement and data analysis

Series of reactions is
Fundamental kinetic postulated based on
studies knowledge of the
chemistry

Graphical or
Rate equations
regression techniques
combined with scale-
combined with scale-
Up
up
Methods of measurement and data analysis

Fundamental kinetic Empirical kinetic

studies studies

Graphical or
Rate equations are
regression techniques
formulated on a full size
reactor combined with scale-
up
Methods of measurement and data analysis

Fundamental kinetic Empirical kinetic

studies studies

Response of the system

Rate equations to change in operating
combined with scale- parameters is obtained
Up by design experiments
techniques
Methods of measurement and data analysis

Fundamental kinetic Empirical kinetic

studies studies

Graphical or
Rate equations
regression techniques
combined with scale-
combined with scale-
Up
up
Conduct kinetic experiment and measure
some response of the system, such
concentrations. Call “data".

Pick a rate expression and assume value

for its parameters. Solve the reactor design
equation to predict the response. Call this
“prediction".

Adjust the parameters to minimize the sum-

of-squares
XJ
2 2
S = [data prediction]
j=1
Laboratory reactors
 Batch reactor Flow reactors
da Consumption of reactants is higher
= rA (a, b, . . . , T )
dt Different flow rates must be
established for each data point
No flow control are required
Could be use with complex
reaction system
An experiment can be set up with
minimal effort

Only small amounts of reagents are Plug

CSTR
used flow
A large number of data points on
time-concentration curve can be
obtained in a single run

Differential Integral
Laboratory reactors and their
limitations, Weekman, 1974
Chemical Reactors

An equipment where chemical

reactions take place to
generate a desirable product
at a specified production rate,
using a given chemistry.

They have to meet with:

• Appropriate contacting of
the reactants

• Necessary reaction time

• Heat-transfer capability
Classification of
reactors
Material balance

G
F F

2 3
 generation  
rate flow 6 rate of j 7 rate flow accumulation
+ 6 7 – =
in j 4 by chemical 5 out of j rate of j
reaction
dNj
Fj0 + Gj – Fj =
dt
Z V
dNj
Fj0 Fj + rj dV =
0 dt
CONTINUOUS-STIRRED-TANK
REACTOR (CSTR)
The CSTR is a well-mixed vessel that operates at steady-state.
The main assumption is that the concentration of the incoming
fluid will become instantaneously equal to outgoing upon
entering the vessel

Investment decision tool for biogas production

Karellas, 2010
Characteristics
• Temperature is easier to control.

• Favor lower-order reaction in a

parallel reaction system.

• Favor certain types of molecular

weight distribution and copolymer
types in polymerization reactions.

• Often economical for large volumes

and high contact time.

• Mixing enhances heat transfer and

a large amount of heat-transfer
surface can be included.

• Fine catalyst particles can be

effectively suspended throughout a
liquid system
Flow patterns and baffles
The flow pattern created by particular agitator
types and arrangements are important factors
in designing CSTR systems.
Feeding

If it is required a rapid dispersal of

the reactants.

Discharge nozzles should be

located at the opposite end of the
flow pattern from the inlet nozzle.
CONTINUOUS-STIRRED-TANK REACTOR (CSTR)
the same condition exist
Steady-state operation everywhere inside the
reactor

Fin,j Fj + r j V = 0
Fin,j Fj
V =
rj
CONTINUOUS-STIRRED-TANK REACTOR (CSTR)
the same condition exist
Steady-state operation everywhere inside the
reactor

Fin,j Fj + r j V = 0
Fin,j Fj
V =
rj

With single chemical reactions, the species-based design equation is

usually written for the limiting reactant A

Fin,A FA V XA XA,in
V = ⌘ = , rA = R
rA FA0 rA
GRAPHICAL SOLUTION
1
τ= (CA0 − CA )
rA

Point B is the “operating point” of the reactor, which means that

it represents the steady-state condition inside the reactor.
HEAT TRANSFER IN CHEMICAL REACTORS
Temperature changes influences the reaction rate, and hence the
mode of reactor operation in two ways: temperature dependence of
(1) the rate parameters, and (2) the equilibrium constant.
_i2 Q7
>2i hQiH rQ`F 1M2`;v Q7 1M2`;v Q7
++mKmHiBQM
//2/ iQ @ /QM2 #v Y Kbb 2Mi2`BM; @ Kbb H2pBM; =
Q7 2M2`;v BM
bvbi2K bvbi2K i?2 bvbi2K i?2 bvbi2K
i?2 bvbi2K

dE
Q @ Ws + ḢBM @ ḢQmi =
dt

In chemical reactors, it is normally assume the internal energy is the

dominant contribution over the kinetic and potencial energies.

dU
=Q Ws + ḢBM ḢQmi
dt
ENERGY BALANCE FOR SINGLE REACTORS
dU
=Q Ws + ḢBM ḢQmi
dt

Assuming “R” independent reactions are taking place into a single

reactor, and the extents of reaction are zero in the inlet-stream

Fi Fi0 = ji j
j=1
ENERGY BALANCE FOR SINGLE REACTORS
dU
=Q Ws + ḢBM ḢQmi
dt

Assuming “R” independent reactions are taking place into a single

reactor, and the extents of reaction are zero in the inlet-stream

Fi Fi0 = ji j
j=1

C
C R
ḢBM ḢQmi = Fi0 H i0 Fi0 + j,i j Hi
i=1 j=1
i=1
ENERGY BALANCE FOR SINGLE REACTORS
C
C R
ḢBM ḢQmi = Fi0 H i0 Fi0 + j,i j Hi
i=1 j=1
i=1

Assuming the ideal-solution model is valid for inlet and outlet

streams.
R
C
ḢBM ḢQmi = Fi0 (Hi0 Hi ) j HR,j (T )
i=1
j=1
If the pressure difference between the feed and the product streams
is not substantial, and if there are no phase changes

C R
dU
=Q Ws + Fi0 C pi (T0 T) j HR,j (T )
dt i=1 j=1
ENERGY BALANCE FOR SINGLE REACTORS

If only one chemical reaction is taken place, the EB written in terms of

fractional conversion

FA0 FA FA0 XA
= =
A A

for one mole of the reactant A

ξ = FA0 XA

! C #
dU "
= Q − Ws + Fi0 C pi (T0 − T ) − FA0 XA ∆HR (T )
dt i=1

When νA = 1 is chosen, the basis for ΔHR has been

fixed to 1 mole of A, then the units of ΔHR are
energy/mole of A
HEAT TRANSFER FOR IDEAL CSTRS
Under steady state and considering the work done by stirrer
neglected

C TR R
Q Fi0 CPi dT j HRj (TR ) = 0
i=1 T0 j=1

For a key reactant A which reacts in only one chemical reaction

C
"# $
! TR
Q− Fi0 CPi dT − FA0 XA ∆HR (TR ) = 0
i=1 T0
HEAT TRANSFER FOR CSTRS IN SERIE
Under steady state and considering the work done by stirrer
neglected

! R
C
X X
0
Q Fi0 C p,i (Tout Tin ) ⇠j ⇠j HR,j (T ) = 0
I=1 j=1

the temperature correction for heat of reactions is based on

Z T
HR,j (T ) = HR (T ) + ⌫i Cp,i dT
T
ENUNCIADO

En fase gaseosa se lleva la siguiente reacción

k
*>3 *PP>U*>3 V*PP*>3 *>3 *PP> Y *>2 *>*PP*>2
38200
k = 7.8 10 2tT
9
= [1/b] , T = [E]
RT

Calcule el volumen de un CSTR requerido para obtener el 65 % de

conversión para una alimentación de 2023 mol/h a una presión
inicial de 4 atm y una temperatura constante de 610C.
ENUNCIADO
 Summary
• Continuous Stirred Tank
Reactor (CSTR)

• Characteristics
• Equation design for a CSTR
• Graphical and numerical
solutions of the equation
design

• Performance of CSTRs in
serie and parallel
configuration