Beruflich Dokumente
Kultur Dokumente
Heinzle) 1
The semi-batch reactor is probably the most frequent type of reactor in the chemical industry,
particularly in the fine chemical branch, in organic chemistry laboratories and in biotechnological
processes.
In a surprising contrast, the semi-batch reactor is the least covered in the chemical and biochemical
industry. The major reason for this discrepancy is the difficulty in getting analytical solutions of the
differential equations describing such a type of reactor. Additionally, in semi-batch reactors everything
is usually varying, concentrations, temperature and volume. The methodology we are using in this
course, however, provides a straight forward approach to the solution of this problem. Starting from
basic material and energy balancing, a solution of the governing differential equations is easily
obtained by numeric integration, e.g. using BerkeleyMadonna. Such tools also allow straight forward
optimization of feeding profiles.
A semi-batch reactor with one feed stream and heat transfer to a cooling jacket is shown in Fig. 1.
CA0 , F 0, nAF0, T 0
CA
V
T
Q
Tj
A semi-batch reactor with typically varying volume always requires an explicit total material balance
besides balances for components of interest and an energy balance. The balance region is usually the
whole reactor.
Semi-batch Reactor and Safety (Technische Chemie I, Prof. E. Heinzle) 2
A total material balance is necessary, owing to the feed input to the reactor, where
d( V)
= F0 0
dt
Here, 0, is the feed density.
The density in the reactor, , may be a function of the concentration and temperature conditions
within the reactor. The assumption of constant density conditions is usually valid, particularly for
liquid phase reactions giving
dV
= F
dt
dn A
= NA0 + rAV
dt
d(V C A )
= F0 CA0 + rA V
dt
where F is the volumetric feed rate and CA0 is the feed concentration. Note that both the volumetric
flow and the feed concentration can vary with time, depending on the particular reactor feeding
strategy.
dT
cp V = F0 cp (T0 T) + rQ V + Q
dt
Note that the available heat transfer area may also change as a function of time, and may therefore also
form an additional variable in the solution. Note also that although constant and cp have been
assumed here, this is not a restrictive condition and that equations showing the variations of these
properties are easily included in any simulation model as is shown in Case B below.
Semi-batch Reactor and Safety (Technische Chemie I, Prof. E. Heinzle) 3
A semi-batch reactor is used to convert reactant, A, to product, B, by the reaction A 2B. The
reaction is carried out adiabatically. The reaction kinetics are as before
rA = k CA2
and the stoichiometry gives
rB = 2 rA = + 2 k CA2
The balances, for the two components, A, and B, with flow of A, into the reactor, are now
d(V C A )
= F CA0 + rA V
dt
d(V C B )
= rB V
dt
dT
V cp = F cp (T0 T) + k CA02 (1 XA)2 (HA)V
dt
since, for adiabatic operation, the rate of heat input into the system, Q, is zero.
With initial conditions for the initial molar quantities of A and B, (V CA, V CB), the initial
temperature, T, and the initial volume of the contents, V, specified, the resulting system of equations
can be solved to obtain the time varying quantities, V(t), VCA(t), VCB(t), T(t) and hence also
concentrations, CA, and CB, as functions of time. Examples of semi-batch operations are given in the
simulation examples HMT, SEMIPAR, SEMISEQ, SELCONT, RUN and SEMIEX.
Let us assume an adiabatic, semi-continuous reactor with negligible input of mechanical energy (Fig.
2).
Semi-batch Reactor and Safety (Technische Chemie I, Prof. E. Heinzle) 4
T 0, F 0, cP0 , 0, CB0
rQ
V, T, nA, n B , nC , nD
A + B > C
A + 2 B > D
The total energy balance from the Chapter Basic Concepts is given by
S S T0 R rij
(n i c pi )
dT
dt
= F0 Ci0 cpi dT + V ij
( H j)
i=1 i=1 T j=1
In this case the number of components, S=4 and the number of reactions, R=2. The reaction
enthalpies at standard temperature, TSt, are then
cpi = ai + bi T
then
T
bi 2
c pi dT =
2
hi = hiSt + hiSt + ai (T TSt) + (T TSt )
2
TSt
bC bA bB 2
H1 = H1St + (aC aA aB) (T TSt) + (T TSt2 )
2
b C b A 2b B 2 2
H2 = H2St + (aC aA 2 aB) (T TSt) + (T TSt )
2
Semi-batch Reactor and Safety (Technische Chemie I, Prof. E. Heinzle) 5
R rij
rQ = ij
(H j ) = rA1 H1 + rA2 H2
j=1
S
V cp = (n i c pi ) = nA(aA+bAT)+nB(aB+bBT)+nC(aC+bCT)+nD(aD+bDT)
i =1
With only component B in the feed, the flow term in the energy balance becomes
( )
S T0
bB 2
F0 Ci0 cpi dT = F0 CB0 a B (T0 T ) + T0 T 2
i=1 T 2
dT
b
(
F0 C B0 a B (T0 T ) + B T02 T 2
2
) + V rQ
=
dt V cp