DEVELOPMENT OF MATHEMATICAL MODELS

OBJECTIVES

 To learn what mathematical models are an

 To learn to use some mathematical tools in solving process models
 To use Laplace transform in solving differential equations involved in process
dynamics

INTRODUCTION
What are mathematical models?
The theoretical and scientific study of a situation centers around a model, that is, something
that mimics relevant features of the situation being studied. Here we are concerned
exclusively with mathematical models, that is, models that mimic reality by using the
language of mathematics. A mathematical model is an abstract, simplified, mathematical
construct related to a part of reality and created for a particular purpose. (Bender, 1978)
In this report, we would review some mathematical tools for solving process models as we
explore process dynamics.

PROCESS DYNAMICS

Before we proceed to the mathematical tools for modeling, let’s review an example of a
scenario exhibiting process dynamics. According to Coughanowr and LeBlanc (2009),
understanding process dynamics (how process variables change with time) will be very
important to our studies of process control.

A Chemical Mixing Scenario

Consider the following chemical mixing example below. Two process streams are mixed to
produce one of the feeds for our chemical reactor. After mixing, the blended stream is fed to
a heating vessel before being sent to the reactor.

The process is running along at steady state. The concentration of A in stream 1 is 1 g/L and
in stream 2 is 4 g/L. At 3:00 P.M. the shift changes at the plant. The new operator on our unit
misreads the flowmeters for the process and switches the flow rates of the two streams.
Stream 1 is switched to 20 L/min, and stream 2 is switched to 10 L/min. At 3:30 P.M. the
shift supervisor hurries to the control room to determine the source of the problem now being
experiencing with the reactor. Determine what has happened to the exit concentration from
the heating vessel over the first half-hour of the shift.

Solution:

We can model the mixing tee and the blending tank using an unsteady-state mass balance to
predict the behavior of this part of the process since the shift change and the unfortunate error
by the new operator. A balance on component A around the mixing tee before and after the
change will yield information on how the feed concentration to the heating vessel changes.
The component A balance around the mixing tee is

Before the change, we can calculate the original steady-state concentration into the heating
vessel:

Since the process has been running along at steady state for a long time under these
conditions, the concentration in the heating vessel is also the same.
After the change, the new feed concentration to the heating vessel is

So the net result of the operator error is to decrease the feed concentration to the heating
vessel from 3 to 2 g/L. After we analyze the process for a moment, it is apparent that the exit
concentration from the heating vessel will eventually also fall from 3 to 2 g/L if the process is
left in its current configuration for a long enough time.
To analyze how the exit from the heating vessel (the feed to the reactor) varies with time, we
must perform an unsteady mass balance on component A around the heating vessel.
Note that the volumetric flow rate v is constant into and out of the heating vessel at v3. Thus
the volume of fluid in the tank V is constant. We can rearrange this equation to the following
form:

The coefficient of the derivative term is the residence time of the heating vessel, which in this
process is 5 min. Substituting the numbers for this scenario yields

We can rearrange and solve this equation as follows.

Therefore at t = 30 min, Ca = 2.0025 g/L.

MATHEMATICAL TOOLS FOR MODELING

As we just saw in our analysis of the chemical mixer, the unsteady-state material balance
model that we wrote required us to solve differential equations to obtain the concentration
and temperature versus time behavior for the process. This will be a common occurrence for
us as we continue our studies of process dynamics and control. It would be beneficial to
review some additional tools available to us for solving our process models. A couple of
other useful tools for solving such models are Laplace transforms and MATLAB/Simulink.
(Coughanowr & LeBlanc, 2009)

Laplace Transform
The Laplace transform of a function f(t) is defined to be F(s) according to the equation:

We often abbreviate this to

Example: Find the Laplace transform of the function f(t) = 1.

Transforms of some basic functions are shown in the figure below. (Wright & Zill, 2013)

Inverse Transforms
If F(s) represents the Laplace transform of function f(t), that is, L{f(t)} = F(s), we then say
f(t) is the inverse Laplace transform of F(s) and write f(t) = L-1{F(s)}. (Wright & Zill, 2013)
Transforms of Derivatives
If f, f ′,…, f (n-1) are continuous on [0, ∞) and are of exponential order and if f (n)
(t) is
piecewise continuous on [0, ∞), then

where F(s) = L{f(t)}.

Using Laplace Transforms in Solving Linear, Ordinary Differential Equations (ODEs)

According to Coughanowr & LeBlanc (2009), the following procedure is to be followed.
1. Take the Laplace transform of both sides of the equation. The initial conditions are
incorporated at this step in the transforms of the derivatives.
2. Solve the resulting equation for the Laplace transform of the unknown function
algebraically.
3. Find the function of t that has the Laplace transform obtained in step 2. This function
satisfies the differential equation and initial conditions and hence is the desired
solution.
Example: Chemical Mixing Scenario Revisited
From the previous example, we have obtained a differential equation of

𝑑𝐶𝑎
For convenience, let = Ca′. We have:
𝑑𝑡

5𝐶𝑎 ′ + 𝐶𝑎 = 2
Following the given procedure above:

5 ℒ{𝐶𝑎 ′} + ℒ{𝐶𝑎 } = ℒ{2}

2
5 [ 𝑠 ℒ{𝐶𝑎 } − 𝐶𝑎 (0)] + ℒ{𝐶𝑎 } =
𝑠
@ Ca(0) = 3 g/L
 2
5 [ 𝑠 ℒ{𝐶𝑎 } − 3] + ℒ{𝐶𝑎 } =
𝑠
2
5𝑠 ℒ{𝐶𝑎 } − 15 + ℒ{𝐶𝑎 } =
𝑠
2 2 + 15𝑠
[ℒ{𝐶𝑎 }](5𝑠 + 1) = + 15 =
𝑠 𝑠
2 + 15𝑠
ℒ{𝐶𝑎 } =
𝑠(5𝑠 + 1)
2+15𝑠
Solve for the partial fraction for .
𝑠(5𝑠+1)

2 + 15𝑠 𝐴 𝐵
= +
𝑠(5𝑠 + 1) 𝑠 5𝑠 + 1

2 + 15𝑠 = 𝐴(5𝑠 + 1) + 𝐵𝑠

@ 𝑠 = 0, 𝐴=2
1
@𝑠 =− , 𝐵=5
5
2+15𝑠 2 5
Therefore 𝑠(5𝑠+1) = + .
𝑠 5𝑠+1

2 5
𝐶𝑎 = ℒ −1 { + }
𝑠 5𝑠 + 1

2 5 5
𝐶𝑎 = ℒ −1 { } + ℒ −1 { } = 2(1) + ℒ −1 { }
𝑠 5𝑠 + 1 5(𝑠 + 1⁄5)
−𝑡⁄
𝐶𝑎 = 2 + 𝑒 5

@ t = 30 min, Ca = 2.0025 g/L.

References

Bender, E. (1978). An introduction to mathematical modeling. Toronto, CA: John Wiley &
Sons, Inc.

Coughanowr, D. & LeBlanc, S. (2009). Process systems analysis and control, third edition.
New York, NY: McGraw-Hill.

Wright, W. & Zill, D. (2013). Differential equations with boundary-value problems, eight
edition. Boston, MA: Brooks/Cole, Cengage Learning.
 University of Mindanao
Matina, Davao City

Fundamentals of Process Dynamics and Control:

Development of Mathematical Models

Submitted by:

Jocelyn G. Corpuz
BS ChE – 4

Submitted to:

Engr. Ramiro Emerson C. Amon

Instructor

June 20, 2018