Process Modelling, Simulation and Control for Chemical Engineer-

ing. Worked problems. Chapter 3: Examples of mathematical mod-

els of chemical engineering systems.
This document contains my own solutions to the problems proposed at the end of each chapter of the book
”Process Modelling, Simulation and Control for Chemical Engineers” Second Edition, by William L. Luyben.
As such, I can’t guarantee that the proposed solutions are free from errors. Think about them as a starting point
for developing or as a means of checking your own solutions. Any comments or corrections will be appreciated.
Contact me at [email protected]

Changes from previous version

Now only the problem solutions (no problem statement) for odd problems are included, to limit reproduction
of material subject to copyright.

Problem 1

F0

H
h

√
F =K h

Figure 1: Cone shaped tank.

The volumetric balance (constant density) for the fluid inside the tank is:
dV √
= F0 − K h (1)
dt
Denoting by r the radius of the cone of fluid inside the tank, and if θ is the angle formed by the wall of the
cone shaped tank and the vertical axis, we have:
H h
tan θ = = (2)
R r
The volume of fluid inside the tank is:
πhr2
V = (3)
3
Replacing equation (2) into equation (3) we get:
 2
π R
V = h3 (4)
3 H
Equation (4) together with equation (1) allow to solve for h and V as functions of time.

Problem 3
The total continuity equation (assuming constant density of the process fluid) is:
dhow
A = F0 − KF (how )3/2
dt
The A component continuity equation is:
d
A ((hw + how )CA ) = F0 CA0 − KF (how )3/2 CA − kA(hw + how )CA
dt
This allow to solve for ho w and CA as a function of time.

1
 F0 how
CA0

F = KF (how )3/2

hw
V
CA

Figure 2: CSTR with overflow.

Problem 5

L
Rotation
Q
Hot temp Th d

Q
Cool temp Tc

Figure 3: Rotating heat exchanger.

Assumptions:

1. The enthalpy of the heat exchanger material can be represented as h = Cp T .

2. The energy transport by conduction in the θ direction is negligible.

3. The thickness is much smaller than the exchanger radius.

4. Heat is transferred to the exchanger from both the external and internal exchanger surfaces.

In a time interval ∆t, the energy entering a volume of size d∆θRL is:

∆tωRdLρCp Tθ

The energy leaving is:

 
dT
∆tωRdLρCp Tθ + ∆θ + 2∆tL∆θRUj (T − Tj )
dθ

Where Uj and Tj correspond to the heat transfer coefficient and temperature of the cooling or heating zone.
An energy balance in the cooling zone gives, after dividing by ∆t∆θRL:
dT
ωdCp ρ = −2Uc (T − Tc )
dθ
dT 2Uc (T − Tc )
=−
dθ ωdCp ρ

2
The analogous energy balance for the heating zone gives:
dT 2Uh (T − Th )
=−
dθ ωdCp ρ
The energy balance for the cooling zone applies in the range θ : [π, 2π], whereas the energy balance for the
heating zone applies in the range θ : [0, π]. Solution of the differential equations gives two integration constants,
which are determined applying the following boundary conditions:
Th (0) = Tc (2π)
Th (π) = Tc (π)

Problem 7

W1
R1

Pump P

W2
R2 R3

Figure 4: Hydraulic system.

A mass balance for the tank gives:

dρ
V = W1 − W2 (5)
dt
The mass flow W2 is:
r
P
W2 = (6)
R2 + R3
where the resistances in series are added, and the pressure is barometric. Replacing equation (6) and the
expression for the density into equation (5) we get:
r
dP P
Vβ = W1 −
dt R2 + R3
The steady state value for the pressure is P = W12 (R2 + R3 ).

Problem 9
Besides the conditions indicated in the problem statement, the following assumptions are made:
1. There are no internal temperature gradients in the ice cube, it remains at fusion temperature.
2. Enthalpy of the liquid phase can be expressed as h = Cp T .
An energy balance allows to calculate the rate of fusion of ice:
dMi Q U AHT (Mi )(Tc − Ti )
= =
dt λ λ
The mass balance for the system is:
dMc dMi
+ =0
dt dt
The energy balance for the liquid phase is:
d dMi
Cp (Mc Tc ) = − Cp Ti + U AHT (Mi )(Ti − Tc )
dt dt
Where Mi and Ti are the mass and temperature of the solid phase (ice). Mc and Tc are the mass and temperature
of the liquid phase (coffe). U is the heat transfer coefficient, λ is the heat of fusion of ice, and AHT (Mi ) is the
heat transfer area, as a function of the mass of ice that remains unmelted. The dependent variables are the
mass of ice Mi , the mass of coffe Mc and the coffe temperature Tc .

3
 Fc F F Fc

Ms

Mf

Mrw
Mc
Mjw

Figure 5: Jacketed non isothermal CSTR.

Problem 11
The CSTR is shown in Figure 5. In writing the energy equations, the following assumptions are made:
• Reactor fluid and cooling fluid holdup are constant.

• Physical properties are constant.

• The cooling fluid in the jacket is perfectly mixed.
• There are no internal temperature gradients in the agitator, reactor wall and jacket wall.
• There are no heat losses to the environment.

The energy balances are:

dTs
Cp,s Ms = Uf,s Af,s (Tf − Ts )
dt

dTf
Cp,f Mf = F Cp,f (Tf,0 − Tf ) − Uf,s As,f (Tf − Ts ) − Uf,rw Af,rw (Tf − Trw )
dt

dTrw
Cp,rw Mrw = Uf,rw Af,rw (Tf − Trw ) + Uc,rw Ac,rw (Tc − Trw )
dt

dTc
Cp,c Mc = Fc Cp,c (Tc,0 − Tc ) − Uc,rw Ac,rw (Tc − Trw ) − Uc,jw Ac,jw (Tc − Tjw )
dt

dTjw
Cp,jw Mjw = Uc,jw Ac,jw (Tc − Tjw )
dt
Where f denotes the properties of the fluid inside the reactor, s properties of the stirrer, rw properties of the
reactor wall, c properties of the cooling fluid and jw properties of the jacket wall.

Problem 13
Assumptions:

• Reactions are first order with respect to reactants, both in gas phase (Cj ) and in solid phase (xj ).
• Reactions occur in the surface of the catalyst, the rate of reaction is proportional to Mj aj /ρj , where aj
is the surface/volume ratio for the catalyst.

4
 Product Stack gas
(F1 , T1 , y1 ) (F2 , T2 , y2 )

Reactor Regenerator

(M1 , x1 ) (M2 , x2 )

Spent Regenerated
catalyst catalyst
(w, x1 ) (w, x2 )
Feed
Blower (F0 , T0 , y0 )

Air
(Fa , Ta , ya )

Figure 6: Reactor regenerator system.

The mass balance equations for the reactor are:

dCa M1
VG,1 = F0 CA0 − a1 k1 CA − F1 CA
dt ρc
dCB M1
VG,1 = a1 k1 CA − F1 CB
dt ρc
dx1 M1
M1 = w(x2 − x1 ) + 0.1 a1 k1 CA
dt ρc
The energy balance for the reactor is:
dT1 M1
(M1 Cp,c + VG,1 ρ1 Cp,1 ) = F0 ρ0 Cp,1 T0 − F1 ρ1 Cp,1 T1 + wCp,c (T2 − T1 ) − a1 k1 CA λ1
dt ρc
The mass balance equations for the regenerator are:
dCO M2
VG,2 = Fa COa − F2 CO − a2 k2 CO x2
dt ρc
dCP M2
VG,2 = k2 CO x2 − F2 CP
dt ρc
dx2 M2
M2 = w(x1 − x2 ) − a2 k2 CO x2
dt ρc
The energy balance for the regenerator is:
dT2 M2
(M2 Cp,c + VG,2 ρ2 Cp,2 ) = Fa ρa Cp,2 Ta − F2 ρ2 Cp,2 T2 + wCp,c (T1 − T2 ) − a2 k2 CO x2 λ2 + Q
dt ρc

Problem 15
The system can be represented as shown in Figure 8. Assumptions:
• The volume of fluid contained in each lump, for both tubes and shell, is constant.
• For both tubes and shell side, the volume of lumps are equal to each other.

5
 F0
CA0
T0 TC

V
CA
T
LC Reactor TC

Cooler

F
CA
T Cooling
water

Figure 7: Circulating cooling system.

Fc

F0 Reactor Fw Fw

Shell 2 Shell 1

Tubes 1 Tubes 2

Figure 8: Lumps in series.

• Density and specific heat are independent of concentration of A and B.

Mass balances for the reactor:
 
d Ea
(V CA ) = F0 CA0 − F CA − CA V K exp −
dt RT
 
d Ea
(V CB ) = −F CB + CA V K exp −
dt RT
Energy balance for the reactor:
 
d CA V K Ea
(V T ) = F0 T0 + Fc (T2 − T ) − F T − exp − λ
dt ρCp RT
Energy balances for shell side:
dTw,1 UA
Vs = Fw (Tw,0 − Tw,1 ) − (Tw,1 − T2 )
dt ρw Cp,w
dTw,2 UA
Vs = Fw (Tw,1 − Tw,2 ) − (Tw,2 − T1 )
dt ρw Cp,w
Energy balances for tube side:
dT1 UA
Vt = Fc (T − T1 ) − (T1 − Tw,2 )
dt ρCp
dT2 UA
Vt = Fc (T1 − T2 ) − (T2 − Tw,1 )
dt ρCp

6
Problem 17

MD1 MD2 MD3

LC LC LC
R1 R2 R3
D1 D2 D3
FC FC FC
Column 1

Column 2

Column 3
F

V1 V2 V3
MB1 TC MB2 TC MB3 TC
LC LC LC

B1 B2
B3

Figure 9: Train of distillation columns.

With negligible dynamics for condenser and reboiler, only the tray holdups must be considered, the equations
are analogous for every column i, component j and stage l.
Mass balance for feed stage:
d
(MN F,j,i ) = Fi zj,i + LN F +1,i xN F +1,j,i − LN F,i xN F,j,i + VN F −1,i yN F −1,j,i − VN F,i yN F,j,i
dt
Mass balance for top stage:
d
(MN T,j,i ) = Ri xR,j,i − LN T,i xN T,j,i + VN T −1,i yN T −1,j,i − VN T,i yN T,j,i
dt
Mass balance for the first stage:
d
(M1,j,i ) = L2,i x2,j,i − L1,i x1,j,i + VB,i yB,j,i − V1,i y1,j,i
dt
Mass balance for intermediate stage:
d
(Ml,j,i ) = Ll+1,i xl+1,j,i − Ll,i xl,j,i + Vl−1,i yl−1,j,i − Vl,i yl,j,i
dt
Energy balance for condenser:

VN T,i λlv,N T,i = QC,i

Energy balance for reboiler:

VB,i λlv,B,i = QB,i

These equations, together with the equilibrium expressions and the relation between the holdup and the flux
from the tray, constitute the dynamic model of the distillation column train.

Problem 19
The average capacity is calculated considering that in a 1 hour period, 5 filters operate during 60 minutes, and
the remaining filter operates during 50 minutes.
1000[gpm](5 ∗ 60[min] + 50[min])
C= = 5833[gpm]
60[min]

7
This capacity, over a day of activity, gives a processing capacity for the plant of 8400000 gallons. Every hour,
during the first 10 minutes of operation, the capacity of the plant is only 5000 [gpm] (5 filters are operating), so
an excess of 8333 gallons accumulate at the feed tank, the excess is processed over the next 50 minutes, when
the capacity of the plant is 6000 [gpm]. The feed tank level variation over a three hour period is sketched on
Figure 10.

gallons
8333

0
t[h]
0 1 2 3

Figure 10: Feed tank liquid level variation.

Problem 21
A sketch of the reactor is shown in Figure 11. The total and species mass conservation equations are:
dV
= F0 + F1 − F
dt
d
(V CHNO ) = F1 CHNO,1 − F CHNO
dt
− V (k1 CHNO Cb + k2 CHNO CNB + k3 CHNO CDNB )
d
(V CB ) = F0 CB,0 − V k1 CB CHNO − F CB
dt
d
(V CNB ) = V (k1 CHNO CB − k2 CHNO CNB ) − F CNB
dt
d
(V CDNB ) = V (k2 CHNO CNB − k3 CHNO CDNB ) − F CDNB
dt
d
(V CTNB ) = V k3 CHNO CDNB − F CTNB
dt

F0
Benzene

F1 F
CSTR
98% Acid Product

Figure 11: Benzene nitration process.

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