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1 Mathematical
Modeling
Chem. Eng. Dep. M. Sc. Chem. Eng.
Q 1: Consider a stirred tank reactor with one inlet stream (with C i, F) and one outlet
stream (with Co, F). The reaction occurring is A → B and it proceeds at a rate r=k.Co
Where r = moles A reacting/volume.time
k = reaction velocity constant
Co(t) = concentration of A in reactor, moles/volume
V = volume of mixture in reactor
Further let F = constant feed rate, volume/time
Ci(t) = concentration of A in feed stream
Assuming constant density and constant V, derive a mathematical model describe the
concentration in the reactor.
Solution
dCo
V FCi V kCo FCo
dt
Q 2: A completely enclosed stirred-tank heating process is used to heat an incoming
stream whose flow rate varies. The heating rate from this coil and the volume are
both constant. Develop a mathematical model (differential and algebraic equations)
that describes the exit temperature if heat losses to the ambient occur and if heat
losses at the ambient occur and if the ambient temperature (Ta) and the incoming
stream’s temperature (Ti) both can vary.
Solution
dT
V c p F c pTi Qcoil Qloss F c pT
dt
Qloss hamb A( T Ta )
F1, CA1
h1 F3, CA3
Figure 1
Solution
Assumptions
Constant cross sectional area A
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Univ. of Tech. Sheet No.1 Mathematical
Modeling
Chem. Eng. Dep. M. Sc. Chem. Eng.
Q 4: The reactions A B C are taken place in batch reactor. Assume that all steps
k2
1
k
k 2
1
are first-order reactions and write the set of linear ordinary differential equations that
describe the kinetics of these reactions.
Solution
dC A
V k1C A k 1C B
dt
dCB
V k1C A k 1CB k 2CB k 2CC
dt
dCC
V k 2CB k 2CC
dt
2
Univ. of Tech. Sheet No.1 Mathematical
Modeling
Chem. Eng. Dep. M. Sc. Chem. Eng.
F0 F1 Fr F2
h1 h2 h3 F3
Figure 2
Solution
a) Mathematical Model
dh1
A1 Fo F1
dt
dh
A2 2 F1 Fr F2
dt
dh
A3 3 F2 F3
dt
b) degrees of freedom
Constants: A1, A2, A3
Externally forced: Fo, F1, Fr, F2
Variables: h1, h2, h3, F3
Variables: 3
DOF=4-1
F3 h3
h1 h2 h3 F4, T4
Figure 3
1. Assuming constant fluid properties, write the mathematical model for the
process. Identify the states and the degrees of freedom.
2. Assume now the following non-isothermal reversible first-order liquid-phase
reaction: A B is taking place in the three above CSTR in series. Assuming
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Univ. of Tech. Sheet No.1 Mathematical
Modeling
Chem. Eng. Dep. M. Sc. Chem. Eng.
all CSTRs are adiabatic, write down the unsteady state model for the process if
the holdups is kept constant in all reactors.
Solution
1)Mathematical Model
Mass balance
dh1
A1 Fo F1
dt
dh
A2 2 F1 F f F2
dt
dh
A3 3 F3 F4
dt
Heat Balance (First Tank)
dV1T1
c p Fo c pTo F1 c pT1 Q1
dt
dV dT
c pT1 1 c pV1 1 Fo c pTo F1 c pT1 Q1
dt dt
dT
c pV1 1 Fo c pTo F1 c pT1 Q1 c pT ( Fo F1 )
dt
dT
c pV1 1 Fo c p ( To T1 ) Q1
dt
Heat Balance (Second Tank)
dV2T3
c p F1 c pT1 F f c pT f F3 c pT3 Q2
dt
dT dV
c pV2 3 c pT3 2 F1 c pT1 F f c pT f F3 c pT3 Q2
dt dt
dT3
c pV2 F1 c pT1 F f c pT f F3 c pT3 Q2 c pT3 ( F1 F f F3 )
dt
dT
c pV2 3 F1 c p ( T1 T2 ) F f c p ( T f T2 ) Q2
dt
Heat Balance (Third Tank)
dV3T4
c p F3 c pT3 F4 c pT4 Q3
dt
dV dV
c pT4 3 c pT4 3 F3 c pT3 F4 c pT4 Q3
dt dt
dT
c pV3 4 F3 c pT3 F4 c pT4 Q3 c pT4 ( F3 F4 )
dt
dT
c pV3 4 F3 c p ( T3 T4 ) Q3
dt
Q1 wc 1 c p ( T1 Tc 1 )
Q1 wc 2 c p ( T3 Tc 2 )
Q1 wc 3 c p ( T4 Tc 3 )
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Univ. of Tech. Sheet No.1 Mathematical
Modeling
Chem. Eng. Dep. M. Sc. Chem. Eng.
2)Mathematical Model
Component mass Balance A (First Tank)
dC A1
V1 FoC Ao F1C A1 V1k1C A1 V1k 1C B 1
dt
Heat Balance (Second Tank)
dC A3
V2 F1C A1 F f C Af F3C A3 V2 k1C A3 V2 k 1CB 3
dt
Heat Balance (Third Tank)
dC A4
V3 F3C A3 F4C A4 V3k1C A4 V3 k 1CB 4
dt
Component mass Balance B (First Tank)
dC B 1
V1 FoC Bo F1C B 1 V1k1C A1 V1k 1C B 1
dt
Component mass Balance B (Second Tank)
dCB 3
V2 F1CB 1 F f C Bf F3C B 3 V2 k1C A3 V2 k 1CB 3
dt
Component mass Balance B (Third Tank)
dCB 4
V3 F3C B 3 F4C B 4 V3k1C A4 V3 k 1C B 4
dt
dT3
c pV2 F1 c p ( T1 T2 ) F f c p ( T f T2 ) Q2
dt
Heat Balance (Third Tank)
dV3T4
c p F3 c pT3 F4 c pT4 Q3
dt
dV dV
c pT4 3 c pT4 3 F3 c pT3 F4 c pT4 Q3
dt dt
dT
c pV3 4 F3 c pT3 F4 c pT4 Q3 c pT4 ( F3 F4 )
dt
dT
c pV3 4 F3 c p ( T3 T4 ) Q3
dt
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Univ. of Tech. Sheet No.1 Mathematical
Modeling
Chem. Eng. Dep. M. Sc. Chem. Eng.
Q1 wc 1 c p ( T1 Tc 1 )
Q1 wc 2 c p ( T3 Tc 2 )
Q1 wc 3 c p ( T4 Tc 3 )
T2
T1
T3
Figure 4
Solution
Heat balance on the bulb pocket
dT2
g c pgVg hout Aout ( T3 T2 ) hin Ain ( T2 T1 )
dt
dT
b c pbVb 1 hin Ain ( T2 T1 )
dt
Q 8: Consider a two CSTRs in series with an intermediate mixer introducing a second
feed as shown in Figure 5. A first order irreversible exothermic reaction: A B is
carrier out in the process. Water at ambient temperature (Tc1i and Tc2i) is used to cool
the reactors. The densities and heat capacities are assumed to be constant and
independent of temperature and concentration. Develop the necessary equations
describing the process dynamic behavior. Note that the mixer has negligible
dynamics and that the inlet feed to CSTR2 has the same temperature as that of the
outlet of CSTR1.
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Univ. of Tech. Sheet No.1 Mathematical
Modeling
Chem. Eng. Dep. M. Sc. Chem. Eng.
QC1, TC1i
Q2, C2, T2
Mixer
QC2, TC2
CSTR 1
QC2, TC2i
Q4, C4, T4
CSTR 2
Figure 5
Vapor
Steam
Condensate
Feed
Concentrated
liquid
Figure 6
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Univ. of Tech. Sheet No.1 Mathematical
Modeling
Chem. Eng. Dep. M. Sc. Chem. Eng.
Q3, CA3
Q4, CA4
Figure 7
Q 12: A perfectly mixed non-isothermal adiabatic reactor carries out a simple first-
order exothermic reaction, A B in the liquid phase. The product from the reactor is
cooled from the output temperature T to Tc and then introduced to a separation unit
where the un-reacted A is separated from the product B. The feed to the separation
unit is split into two equal parts top product and bottom product. The bottom product
from the separation unit contains 95% of the un-reacted A in the effluent of the
reactor and 1% of B in the same stream. The bottom product which is at Temperature
Tc (since the separation unit is isothermal) is recycled and mixed with the fresh feed
of the reactor and the mixed stream is heated to temperature Tf before being
introduced to the reactor. Write the steady state mass and energy balances for the
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Univ. of Tech. Sheet No.1 Mathematical
Modeling
Chem. Eng. Dep. M. Sc. Chem. Eng.
whole process assuming constant physical properties and heat of reaction. Discuss
also the degree of freedom of the resulting model. The process is depicted in figure 8
V= 0.5 F
CSTR
F, Tf
C A , CB , T c
Separator
F
Fo, To ,CAo
L = 0.5 F
Figure 8
Q 13: Consider a biological reactor with recycle usually used for wastewater
treatment as depicted in figure 9 below. Substrate and biomass are fed to the reactor
with concentrations Sf and Xf. The effluent form the well-mixed reactor is settled in a
clarifier and a portion of the concentrated sludge is returned to the reactor with flow
rate Qr and Xr. If the reaction of substrate in the clarifier is negligible, the recycle
stream would contain the same substrate concentration as the effluent from the
reactor. Sludge is withdrawn directly from the reactor with a fraction W. Assuming
constant holdup develop the dynamic model for the process. Assume the rate of
disappearance of S is given by: r = mS/(K + S) and the rate of generation of X by r/Y
where Y is constant.
W
X
S
Q-W
Q Reactor
Settler Xt
Xf V
S
Sf X
S
Qr , X r , S
Figure 9
Q 14: Consider the two phase reactor and a condenser with recycle. Gaseous A and
liquid B enters the reactor at flow rates FA and FB respectively. Gas A diffuses into the
liquid phase where it reacts with B producing C. The latter diffuses into the vapor
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Univ. of Tech. Sheet No.1 Mathematical
Modeling
Chem. Eng. Dep. M. Sc. Chem. Eng.
phase where B is nonvolatile. The vapor phase is fed to the condenser where the un-
reacted A is cooled and the condensate is recycled back to the reactor. The product C
is withdrawn with the vapor leaving the condenser. For the given information develop
the dynamic model for the process shown in Figure 10. Consider all flows are in
moles.
F1v, yA1, yc1
T2
P2
T 1, P 1 NA
FA, TA NA
F2L,xA2
NC
FB, TB
Q1
A + B = 2C
Figure 10
Q 15: Develop the mathematical model for the triple-effect evaporator system shown
in figure 11 below. Assume boiling point elevations are negligible and that the effect
of composition on liquid enthalpy is neglected.
V1=F-L1 V2=L1-L2 V3=L2-L3
Vapor Vapor Vapor
F (feed)
Vo
Vo V1 V2
L1 L2 L3
Thick Liquor Thick Liquor Thick Liquor
Figure 11
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Univ. of Tech. Sheet No.1 Mathematical
Modeling
Chem. Eng. Dep. M. Sc. Chem. Eng.
vapor is withdrawn continuously from the top of the vessel. We would like to develop
a mathematical model to describe the process. Unlike the adiabatic flash operation,
the temperature and pressure in the two phases are different. Correspondingly, the
volume of the two phases varies with time.
Fv
Pv , Vv ,v
wv
Fo , To ,o
PL, VL,L
Figure 12
11