84 Process Modeling and Simulation for Chemical Engineers

Objective
It is desired to develop a model that would enable the determination of force exerted on the
reducer by the liquid flow.

System
The system for this purpose is the fluid inside the reducer.

Assumptions
We assume that at the entrance as well as exit of the reducer, (i) the fluid velocity is
perpendicular to the cross-section area, (ii) shear stresses are negligible, and (iii) pressures
are identical.

Model Formulation
To determine the force, i.e., rate of change of momentum, we need momentum balance.
Applying Equation (2.21) on p. 31 to the system, i.e., the fluid inside the reducer, we obtain
the rate of change of momentum along the x- and y-directions as, respectively,
dpx
= ρv12 A1 − ρv22 A2 cos θ and (4.6)
dt
dpy
= −ρv22 A2 sin θ − ρV g (4.7)
dt
where (i) px and py are the components of the system momentum along, respectively, the x-
and y-directions, and (ii) V is the volume of the system.

Summary
Equations (4.6) and (4.7) provide, respectively, the x- and y-components of the force exerted
by the fluid on the reducer. To keep it secure, that force needs to be counteracted by an equal
and opposite force. This force is provided by reducer supports, and is given by
dpx dpy # $ # $
F = − x̂ − ŷ = −ρv12 A1 + ρv22 A2 cos θ x̂ + ρv22 A2 sin θ + ρV g ŷ
dt dt
Given the specifications for the parameter set
! "
ρ, v1 , v2 , A1 , A2 , θ, V, g

the above equation can be used to obtain F.

4.1.3 Liquid Preheater

This example involves a macroscopic mass balance, and the equation of change for
temperature in a liquid preheater. It is a unit that is used to mix and heat different liquid
streams. The mass balance accounts for any change in the liquid level inside the preheater.
4. Model Formulation 85

liquid stream 1
(F1 , T1 )
liquid stream 2 mixer

(F2 , T2 )

heater

output stream
(F, T )

Figure 4.3 A liquid preheater

Figure 4.3 above shows the preheater, which is fed by two liquid streams of the same
composition but at different volumetric flow rates (F1 and F2 ), densities (ρ1 and ρ2 ), and
temperatures (T1 and T2 ). The output stream from the preheater has a volumetric flow rate F ,
density ρ, and temperature T .

Objective
It is desired to develop a model that would enable the determination of liquid level as well
as the temperature inside the preheater. We would like to include the possibility that the flow
rates, and temperatures of the feed streams may change with time.

System
The system for this purpose is the liquid inside the preheater.

Assumptions
We make the following assumptions for the model:

1. There is no chemical reaction, or phase change in the system.

2. The preheater is well-insulated so that the heat loss to the surroundings is negligible.
3. The liquid in the preheater is perfectly mixed so that the system temperature is the same
as that of the output stream.
4. The specific heat capacity of the liquid is constant in the range of temperature variation.
86 Process Modeling and Simulation for Chemical Engineers

5. The preheater has uniform cross-section area.

Model Formulation
To determine the liquid level in the preheater, we need mass balance. For the determination
of the system temperature, we will use the equation of change for temperature.
Mass Balance
Applying Equation (2.5) on p. 21 to our system (the liquid inside the preheater), we obtain

d 
Ahρ = F1 ρ1 + F2 ρ2 − F ρ
dt 
mass of the
system

where h is the liquid level inside the preheater of cross-section area A. The left-hand side of
the above equation expands as follows:

d dρ dh dρ dT dh
A (hρ) = A h +ρ = A h +ρ
dt dt dt dT dt dt

From the last two equations, we get after some rearrangement,

dh 1 F 1 ρ1 + F 2 ρ2 − F ρ dρ dT
= −h (4.8)
dt ρ A dT dt

Equation of Change for Temperature

Applying Equation (3.13) on p. 71 to our system, we get

dT
AhρĈP = F1 ρ1 ĈP (T1 − T ) + F2 ρ2 ĈP (T2 − T ) + Q̇h + Ẇs
dt 
−Δ[Q̇]

where (i) ĈP is the specific heat capacity of the liquid, which is at temperature T , (ii) Q̇h is
the rate of energy input by the heater, and (iii) Ẇs is the rate of shaft work equivalent to the
power delivered by the mixer. Rearranging the above equation yields

dT 1 
= F1 ρ1 ĈP (T1 − T ) + F2 ρ2 ĈP (T2 − T ) + Q̇h + Ẇs (4.9)
dt AhρĈP

Equations (4.8) and (4.9) are differential equations of first order with respect to time. Each
equation needs a condition for integration.
Initial Conditions
The initial conditions for Equations (4.8) and (4.9) are

h(0) = h0 and T (0) = T0 (4.10)

where h0 is the initial height of the liquid with the initial temperature, T0 .
4. Model Formulation 87

Summary
Equations (4.8)–(4.10) constitute the dynamic model of the liquid preheater. Given the
specifications for the parameter set
! "
ρ(T ), ρ1 , ρ2 , F1 , F2 , F, A, ĈP , T1 , T2 , Q̇h , Ẇs , h0 , T0

the involved differential equations need to be integrated simultaneously to obtain

h = h(t) and T = T (t)

At steady state, the time derivatives in the differential equations become zero, and the
model becomes independent of A and h. With the remaining parameters, the resulting
algebraic equations can be solved to obtain any two unknowns at the steady state. For
example, to find F and T , the following set of parameters:
! "
ρ(T ), ρ1 , ρ2 , F1 , F2 , ĈP , T1 , T2 , Q̇h , Ẇs

should be specified.

4.1.4 Non-Isothermal CSTR

This example involves macroscopic mass and energy balances in a water-cooled CSTR that is
used to carry out an exothermic reaction in liquid phase. The following exothermic reaction
takes place in the CSTR [see Figure 4.4, next page]:
k
aA + bB cC + dD

where k is the reaction rate coefficient, and a, b, c and d are stoichiometric coefficients. The
rate of reaction is given by  
E
r = k0 exp − ca cb (4.11)
RT A B
where k0 is the pre-exponential factor, and E is the activation energy.
The reactor is fed by liquid streams of reactants A and B, respectively, with (i) volumetric
flow rates FAf and FBf , (ii) molar concentrations cAf and cBf , and (iii) temperatures TAf
and TBf . The reaction results in products C and D. They are withdrawn, along with
residual reactants at temperature T , and volumetric flow rate F from the reactor. The molar
concentrations in the product stream are cA , cB , cC , cD , respectively, for A, B, C and D. The
heat generated in the reaction is taken away by cooling water circulated at temperature TJ in
the jacket around the reactor.

Objective
It is desired to develop a model that would enable the determination of molar concentrations
of species, and the temperature of the reaction mixture as a function of time.

System
The system for this purpose is the reaction mixture inside the reactor.