Chemical Process Modelling and Simulation

Assignment 2

Problem 1:
To solve this problem, we need to apply the principle of mass balance to the
perfectly stirred tank. The mass balance equation for the tank can be expressed
as:
𝑅𝑎𝑡𝑒 𝑜𝑓 𝑎𝑐𝑐𝑢𝑚𝑢𝑙𝑎𝑡𝑖𝑜𝑛 = 𝑅𝑎𝑡𝑒 𝑜𝑓 𝑖𝑛𝑙𝑒𝑡 − 𝑅𝑎𝑡𝑒 𝑜𝑓 𝑜𝑢𝑡𝑙𝑒𝑡
Given:
• Initial volume of solution in the tank, 𝑉0 = 5 𝑚3
• Initial concentration of HCl in the tank, 𝐶0 = 0.01 𝑘𝑔/𝑚3
• Inlet flow rate for solution 1, 𝑄1 = 1 𝑚3 /ℎ, with concentration 𝐶1 =
0.02 𝑘𝑔/𝑚3
• Inlet flow rate for solution 2, 𝑄2 = 1 𝑚3 /ℎ, with concentration 𝐶2 =
0.03 𝑘𝑔/𝑚3
• Outlet flow rate, 𝑄𝑜𝑢𝑡 = 2 𝑚3 /ℎ

Let's denote:
• 𝑉(𝑡) as the volume of solution in the tank at time 𝑡
• 𝐶(𝑡) as the concentration of HCl in the tank at time 𝑡
𝑑(𝑉.𝐶)
The rate of accumulation of HCl in the tank is .
𝑑𝑡

Using the given data, the rate of inlet of HCl is 𝑄1 ⋅ 𝐶1 + 𝑄2 ⋅ 𝐶2 , and the rate of
outlet of HCl is 𝑄𝑜𝑢𝑡 . 𝐶(𝑡) .
Therefore, the mass balance equation becomes:
𝑑(𝑉. 𝐶)
= (𝑄1 ⋅ 𝐶1 + 𝑄2 ⋅ 𝐶2 ) − 𝑄𝑜𝑢𝑡 . 𝐶(𝑡)
𝑑𝑡
Now, we can solve this ordinary differential equation (ODE) to find 𝐶(𝑡) and
𝑉(𝑡).
However, before solving the ODE, we need to find 𝑉(𝑡) by integrating the inlet
and outlet flow rates over time:
𝑉(𝑡) = 𝑉0 + (𝑄1 + 𝑄2 − 𝑄𝑜𝑢𝑡 ) . 𝑡
Now, we can substitute 𝑉(𝑡) into the mass balance equation and solve the
resulting ODE to find 𝐶(𝑡) .

To solve the differential equation, let's first integrate 𝑉(𝑡) to find the volume of
the solution in the tank over time:
𝑉(𝑡) = 𝑉0 + (𝑄1 + 𝑄2 − 𝑄𝑜𝑢𝑡 ) . 𝑡
Substituting the given values:
𝑉(𝑡) = 5 + (1 + 1 − 2) . 𝑡 = 5 + 𝑡
Now, we can substitute 𝑉(𝑡) into the mass balance equation:
𝑑(𝑉. 𝐶)
= (𝑄1 ⋅ 𝐶1 + 𝑄2 ⋅ 𝐶2 ) − 𝑄𝑜𝑢𝑡 . 𝐶(𝑡)
𝑑𝑡
𝑑((5 + 𝑡) × 𝐶)
= (1 × 0.02 + 1 × 0.03) − 2 × 𝐶(𝑡)
𝑑𝑡
𝑑(5𝐶 + 𝑡𝐶)
= 0.05 − 2𝐶(𝑡)
𝑑𝑡
𝑑(5𝐶) 𝑑(𝑡𝐶)
+ = 0.05 − 2𝐶(𝑡)
𝑑𝑡 𝑑𝑡
𝑑𝐶 𝑑𝐶 𝑑𝐶
5 +𝑡 +𝐶+𝑡 = 0.05 − 2𝐶
𝑑𝑡 𝑑𝑡 𝑑𝑡
Now, we can solve for 𝐶(𝑡) by integrating this equation. Let's solve for 𝐶(𝑡)
first and then find the concentration of HCl over time:
𝑑𝐶 𝑑𝐶
5 + 2𝑡 + 𝐶 = 0.05 − 2𝐶
𝑑𝑡 𝑑𝑡
𝑑𝐶
(5 + 2𝑡) + 3𝐶 = 0.05
𝑑𝑡
Separating variables:
𝑑𝐶 0.05 − 3𝐶
= 𝑑𝑡
5 + 2𝑡 5 + 2𝑡
Integrating both sides:
1 0.05 − 3𝐶
∫ 𝑑𝐶 = ∫ 𝑑𝑡
5 + 2𝑡 5 + 2𝑡
0.05 3𝐶
𝑙𝑛|5 + 2𝑡| = ∫ 𝑑𝑡 − ∫ 𝑑𝑡
5 + 2𝑡 5 + 2𝑡
0.05 𝐶
𝑙𝑛|5 + 2𝑡| = 𝑙𝑛|5 + 2𝑡| − 3 ∫ 𝑑𝑡 + 𝐾
2 5 + 2𝑡
0.05 𝐶
𝑙𝑛|5 + 2𝑡| − 𝑙𝑛|5 + 2𝑡| = −3 ∫ 𝑑𝑡 + 𝐾
2 5 + 2𝑡
0.05 𝐶
𝑙𝑛|5 + 2𝑡| (1 − ) = −3 ∫ 𝑑𝑡 + 𝐾
2 5 + 2𝑡
2 0.05 𝐶
𝑙𝑛|5 + 2𝑡| ( − ) = −3 ∫ 𝑑𝑡 + 𝐾
2 2 5 + 2𝑡
1.95 𝐶
𝑙𝑛|5 + 2𝑡| ( ) = −3 ∫ 𝑑𝑡 + 𝐾
2 5 + 2𝑡
6 𝐶
𝑙𝑛|5 + 2𝑡| = − ∫ 𝑑𝑡 + 𝐾
1.95 5 + 2𝑡
20 𝐶
𝑙𝑛|5 + 2𝑡| = − ∫ 𝑑𝑡 + 𝐾
13 5 + 2𝑡
20
𝑙𝑛|5 + 2𝑡| = − 𝑙𝑛|5 + 2𝑡| + 𝐾
13
20
𝑙𝑛|5 + 2𝑡| + 𝑙𝑛|5 + 2𝑡| = 𝐾
13
20
(1 + ) 𝑙𝑛|5 + 2𝑡| = 𝐾
13
33
𝑙𝑛|5 + 2𝑡|13 = 𝐾
33
|5 + 2𝑡|13 = 𝑒 𝐾
13
5 + 2𝑡 = 𝐶𝑒 33𝐾
13 13
𝐶 = (5 + 2𝑡0 )𝑒 − 33𝐾 , 𝐶 = (5 + 2 × 0)𝑒 − 33𝐾
13
𝐶 = 5𝑒 − 33
𝐾
To develop a model that represents the variation in the concentration of HCl in
the tank over time, we need to make several assumptions:
1. Perfect mixing: We assume the tank is perfectly stirred, meaning the
concentration of HCl is uniform throughout the tank at any given time.
This assumption allows us to model the tank as a single well-mixed
system.
2. Constant density: We assume the density of the solution remains constant
over time. This assumption simplifies the modeling process and allows us
to treat the volume of the tank as a constant.
3. Steady-state conditions for inlet and outlet flows: We assume that the
inlet flow rates and concentrations remain constant over time, as well as
the outlet flow rate. This implies that the system has reached a steady
state where the rates of input and output are balanced.
4. Instantaneous mixing: We assume that the mixing of the incoming
streams with the solution in the tank is instantaneous, meaning there are
no delays or spatial variations in mixing.
Based on these assumptions, we can develop a model using the principle of
mass balance. The rate of change of mass of HCl in the tank is equal to the net
rate of HCl entering the tank minus the rate of HCl leaving the tank.
Mathematically, this can be expressed as:
𝑑(𝑉. 𝐶)
= (𝑄𝑖𝑛1 ⋅ 𝐶𝑖𝑛1 + 𝑄𝑖𝑛2 ⋅ 𝐶𝑖𝑛2 ) − 𝑄𝑜𝑢𝑡 . 𝐶(𝑡)
𝑑𝑡
The initial condition needed to solve this equation is the initial concentration of
HCl in the tank, denoted as 𝐶0 . This is given as 0.01 kg/m³ in the problem
statement.
When a steady state is reached, the concentration of HCl in the tank will remain
𝑑𝐶
constant over time. In this case, the rate of change of concentration ( ) will be
𝑑𝑡
zero. At steady state, the inflow rate of HCl will equal the outflow rate, resulting
in no net change in concentration. Therefore, the concentration of HCl inside
the tank when a steady state is reached can be found by setting the derivative
equal to zero and solving for 𝐶 in the equation:
0 = (𝑄𝑖𝑛1 ⋅ 𝐶𝑖𝑛1 + 𝑄𝑖𝑛2 ⋅ 𝐶𝑖𝑛2 ) − 𝑄𝑜𝑢𝑡 . 𝐶
We can solve this equation to find the steady-state concentration of HCl in the
tank.
Problem 2:
To model the variation in temperature inside the tank over time, we can apply
the principle of energy balance. Given that the system is adiabatic (no heat
exchange with the environment) and assuming incompressible water, we can
use the following assumptions:
1. Perfect mixing: We assume the tank is perfectly stirred, meaning the
temperature is uniform throughout the tank at any given time. This allows
us to model the tank as a single well-mixed system.
2. Constant density: Since water is assumed to be incompressible, its density
remains constant over time.
3. Steady-state conditions for inlet and outlet flows: We assume that the
inlet flow rate and temperature remain constant over time, as well as the
outlet flow rates. This implies that the system has reached a steady state
where the rates of input and output are balanced.
4. Instantaneous mixing: We assume that the mixing of the incoming
streams with the water in the tank is instantaneous, meaning there are no
delays or spatial variations in mixing.
With these assumptions, we can develop a model using the principle of energy
balance. The rate of change of internal energy in the tank is equal to the net rate
of energy entering the tank minus the rate of energy leaving the tank.
Mathematically, this can be expressed as:
𝑑(𝑉. 𝑈)
= 2𝑄 . 𝜌 . 𝐶𝑃 . (𝑇𝑖𝑛 − 𝑇) − 2𝑄 . 𝜌 . 𝐶𝑃 . (𝑇 − 𝑇𝑜𝑢𝑡 )
𝑑𝑡

• 𝑉 is the volume of the tank (assumed constant).

• 𝑈 is the internal energy of the water in the tank.
• 𝑄 is the volumetric flow rate of water entering or leaving the tank.
• 𝜌 is the density of water (assumed constant).
• 𝐶𝑃 is the specific heat capacity of water (assumed constant).
• 𝑇 is the temperature of the water in the tank.
• 𝑇𝑖𝑛 is the temperature of the water entering the tank.
• 𝑇𝑜𝑢𝑡 is the temperature of the water leaving the tank.
To solve this equation, we need to define initial conditions, which include the
initial temperature of the water in the tank (𝑇0 ) and the temperatures of the inlet
and outlet water streams.
At steady state, the temperature inside the tank will remain constant over time.
𝑑𝑇
In this case, the rate of change of temperature ( ) will be zero. At steady state,
𝑑𝑡
the temperature inside the tank will equal the temperature of the incoming water
streams (𝑇 = 𝑇𝑖𝑛 ).
We can further analyze the steady-state condition to find the temperature inside
the tank. If the system has reached a steady state, the rate of energy entering the
tank will equal the rate of energy leaving the tank:
2𝑄 . 𝜌 . 𝐶𝑃 . (𝑇𝑖𝑛 − 𝑇) = 2𝑄 . 𝜌 . 𝐶𝑃 . (𝑇 − 𝑇𝑜𝑢𝑡 )

(a) To develop an ordinary differential equation (ODE) representing the

variation in water temperature over time, we can use the principle of energy
balance.
Given:
• Perfectly stirred tank with volume 𝑉 (𝑐𝑜𝑛𝑠𝑡𝑎𝑛𝑡).
• Inlet flow rate of 2𝑄 𝑚³/𝑠.
• Outlet flow rate of 𝑄 𝑚³/𝑠.
• Water density (𝜌) and specific heat capacity (𝐶𝑃 ) are assumed constant.
• Adiabatic system with no heat exchange with the environment.
The energy balance equation for the tank can be expressed as:
𝑑(𝑉. 𝑈)
= 2𝑄 . 𝜌 . 𝐶𝑃 . (𝑇𝑖𝑛 − 𝑇) − 2𝑄 . 𝜌 . 𝐶𝑃 . (𝑇 − 𝑇𝑜𝑢𝑡 )
𝑑𝑡
where:
• 𝑈 is the internal energy of water in the tank.
• 𝑇 is the temperature of water in the tank.
• 𝑇𝑖𝑛 is the temperature of incoming water.
• 𝑇𝑜𝑢𝑡 is the temperature of outgoing water.
This equation represents the rate of change of internal energy in the tank, which
is equal to the difference between the rate of energy entering the tank and the
rate of energy leaving the tank.
(b) Assumptions:
1. Perfect mixing: The tank is perfectly stirred, ensuring uniform
temperature distribution.
2. Constant density and specific heat capacity: These properties are assumed
constant throughout the process.
3. Steady-state conditions for inlet and outlet flows: The flow rates and
temperatures of the inlet and outlet streams remain constant over time.
4. Adiabatic system: No heat exchange occurs between the tank and its
surroundings.
(c) To find the temperature of the tank in steady state, we set the rate of change
𝑑𝑇
of temperature ( ) to zero in the energy balance equation:
𝑑𝑡

2𝑄 . 𝜌 . 𝐶𝑃 . (𝑇𝑖𝑛 − 𝑇) − 2𝑄 . 𝜌 . 𝐶𝑃 . (𝑇 − 𝑇𝑜𝑢𝑡 ) = 0
This equation represents the balance of energy entering and leaving the tank at
steady state. Solving for 𝑇 will give us the temperature of the tank in steady
state.

To find the steady-state temperature inside the tank, we need to solve the energy
𝑑𝑇
balance equation for 𝑇 when the rate of change of temperature ( ) is zero.
𝑑𝑡

The energy balance equation we derived earlier is:

2𝑄 . 𝜌 . 𝐶𝑃 . (𝑇𝑖𝑛 − 𝑇) − 2𝑄 . 𝜌 . 𝐶𝑃 . (𝑇 − 𝑇𝑜𝑢𝑡 ) = 0

Simplifying, we get:
2𝑄 . 𝜌 . 𝐶𝑃 . (𝑇𝑖𝑛 − 𝑇) = 2𝑄 . 𝜌 . 𝐶𝑃 . (𝑇 − 𝑇𝑜𝑢𝑡 )

Dividing both sides by 2𝑄 . 𝜌 . 𝐶𝑃 , we get:

𝑇𝑖𝑛 − 𝑇 = 𝑇 − 𝑇𝑜𝑢𝑡
Now, let's solve for 𝑇:
2𝑇 = 𝑇𝑖𝑛 + 𝑇𝑜𝑢𝑡
𝑇𝑖𝑛 + 𝑇𝑜𝑢𝑡
𝑇=
2
So, the steady-state temperature inside the tank is the average of the inlet and
outlet temperatures.