MGM’S COLLEGE OF ENGINEERING &

TECHNOLOGY, KAMOTHE.

DEPARTMENT OF CHEMICAL ENGINEERING

SUBJECT: NUMERICAL METHODS IN CHEMICAL

ENGINEERING (CHC403)

SECOND YEAR – SEMESTER IV

A.Y. - 2024-25

Subject In-charge: Prof. Anand A. Ingle

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 INTRODUCTION TO NUMERICAL METHODS
⦁ Numerical methods are mathematical techniques used for
solving mathematical problems that cannot be solved or are
difficult to solve. The numerical solution is an approximate
numerical value for the solution.
⦁ Although numerical solutions are an approximation, they can
be very accurate.

Prof. Anand A. Ingle, MGMCET

⦁ Mathematical models are an integral part in solving
engineering problems. Many times, these mathematical
models are derived from engineering and science principles,
while at other times the models may be obtained from
experimental data.
⦁ Mathematical models generally result in need of using
mathematical procedures that include but are not limited to
(A) differentiation,
(B) nonlinear equations,
(C) simultaneous linear equations,
(D) curve fitting by interpolation or regression,
(E) integration, and 5
(F) differential equations.
⦁ These mathematical procedures may be suitable
to be solved exactly as you must have
experienced in the series of calculus courses you
have taken, but in most cases, the procedures
need to be solved approximately using
numerical methods.

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⦁ Let us see an example of such a need from a
real-life physical problem.
⦁ To make the fulcrum (Figure 1) of a bascule
bridge, a long hollow steel shaft called the
trunnion is shrink fit into a steel hub. The
resulting steel trunnion-hub assembly is then
shrink fit into the girder of the bridge. 6
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This is done by first immersing the trunnion
in a cold medium such as a dry-ice/alcohol
mixture. After the trunnion reaches the
steady state temperature of the cold medium,
the trunnion outer diameter contracts. The
trunnion is taken out of the medium and slid 7
through the hole of the hub (Figure 2).
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When the trunnion heats up, it expands and
creates an interference fit with the hub. In 1995,
on one of the bridges in Florida, this assembly
procedure did not work as designed. Before the
trunnion could be inserted fully into the hub, the
trunnion got stuck. Luckily, the trunnion was
taken out before it got stuck permanently.
Otherwise, a new trunnion and hub would needed 8

to be ordered at a cost of $50,000.

⦁ A hollow trunnion of outside diameter
12.363” is to be fitted in a hub of inner
diameter 12.358" .
⦁ The trunnion was put in dry ice/alcohol
mixture (temperature of the fluid - dry
ice/alcohol mixture is -108° F) to contract the

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trunnion so that it can be slid through the
hole of the hub. To slid the trunnion without
sticking, a diametrical clearance of at least
0.01" is required between the trunnion and
the hub.
⦁ Assuming the room temperature is 80° F , is
immersing the trunnion in dry-ice/alcohol
mixture a correct decision? 9
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APPROXIMATIONS AND ERRORS
⦁ Approximation is unavoidable in mathematical
modeling the real world phenomena
• Approximation leads to errors
• Estimating the errors in computation is

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necessary for reliability of computed results

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⦁ Accuracy : It refers to how closely the measured or
computed value matches with the true value.
⦁ Precision: It refers to how closely the computed or
measured values agree with each other in repeated
computation or measurement.

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as shown here
(a) inaccurate and imprecise,
(b) accurate and imprecise,
(c) inaccurate and precise,
(d) accurate and precise

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ERRORS IN COMPUTATIONS
Error: The deviation from an expected or true
value. True value may not be known always!

E.g. Area of a rectangle A= LxB=12x10=120 cm2

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But by measurement LmxBm=11.9x10.1
The computed value Ac= 120.19 cm2

Error , E=|A- Ac |=0.19.This error is known as

Absolute Error.

When it is compared with the actual value or true

value, it is known as relative error,
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ERRORS IN NUMERICAL SOLUTIONS
⦁ There are three major sources of error in
computation:
1. human errors
2. truncation errors and

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3. round-off errors.

1. Human errors
Typical human errors are arithmetic errors, and/or
programming errors: These errors can be very
hard to detect unless they give obviously
incorrect solution. In discussing errors, we shall
assume that human errors are not present.
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2. Round Off error
⦁ A computer can only represent a number
approximately.
⦁ For example, a number like1/3 may be represented as
0.333333 on a PC.

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Then the round off error in this case is
1/3 - 0.333333= 0.00000033
Then there are other numbers that cannot be
represented exactly.

For example, and √2 are numbers that need to be

approximated in computer calculations.

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3. Truncation error
Truncation error is defined as the error caused by
truncating a mathematical procedure.
For example, the Maclaurin series for ex is given as

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This series has an infinite number of terms but
when using this series to calculate ex , only a
finite number of terms can be used.

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Error propagation in numerical methods refers to how errors in initial
data or intermediate calculations accumulate and affect the accuracy of
the final result. Here's a breakdown of key concepts:

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Types of Errors
•Inherent Errors: These exist in the initial data itself, arising from
measurements, approximations, or previous computations.
•Round-off Errors: Occur due to the finite precision of computers,
which can only store a limited number of digits.
•Truncation Errors: Result from approximating a complex
mathematical expression with a simpler one, like truncating an infinite
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series.
 How Errors Propagate
•Arithmetic Operations: Errors can grow through addition, subtraction, multiplication,
and division. For instance, adding two numbers with uncertainties increases the absolute
uncertainty of the result.
•Function Evaluation: Evaluating a function with an uncertain input leads to uncertainty
in the output. The function's sensitivity determines how much the error is amplified.

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•Iterative Processes: In methods like root-finding or solving differential equations, errors
can accumulate over multiple iterations, potentially leading to significant deviations from
the true solution.

Techniques to Analyze Error Propagation

•Analytical Methods: Using calculus and statistical techniques to derive formulas that
estimate how errors propagate through specific calculations.
•Numerical Methods: Employing computational approaches to simulate error
propagation, often used when analytical solutions are complex or unavailable.
•Sensitivity Analysis: Studying how the output of a model varies with changes in input
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parameters, revealing which inputs contribute most to the overall error.
 Importance of Error Propagation
Understanding error propagation is crucial in numerical methods because it helps:
•Assess the reliability of results: By estimating the error bounds, we can determine how
much confidence to place in the computed solution.
•Choose appropriate methods: Some methods are more susceptible to error
propagation than others, so understanding this helps select the most suitable approach.

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•Improve algorithm stability: By identifying sources of error amplification, we can design
algorithms that minimize error growth.
Mitigating Error Propagation
While errors are inevitable, several strategies can help minimize their impact:
•Use higher precision arithmetic: Employing more digits in calculations reduces round-
off errors.
•Choose stable algorithms: Opt for methods known to be less sensitive to error
propagation.
•Reformulate mathematical expressions: Rewriting formulas can sometimes reduce
error accumulation.
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•Employ error correction techniques: Some methods include built-in mechanisms to
detect and correct errors.
SOLUTION OF ALGEBRAIC AND
TRANSCENDENTAL EQUATIONS.

⦁ Suppose we have function f(x) & we have to find the

values of x for which f(x) = 0.

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⦁ The solution (values of x)are known as the roots of the
equation f(x) = 0.

⦁ Roots of the equations are may be real or complex.

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BISECTION METHOD
OR BINARY SEARCH METHOD
OR INTERVAL HALVING METHOD

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⦁ X= (a+b)/2
⦁ Where,
a and b are limits
x is new solution

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Q. SHOW PROGRESS OF BISECTION METHOD
USING GRAPHICAL REPRESENTATION
⦁ After a roots of f(x)=0 has been bracketed in the
interval ( a, b),bisection method can be used to
close in on it.
⦁ Bisection method accomplishes this by

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successfully halving (coincidence) the interval
until it becomes sufficiently small.
⦁ Bisection method is also known as “interval
halving method” .
⦁ Bisection method is not the fastest method
available for finding the roots of a function, but it
is most reliable method.

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⦁ We assume that f(x) is a function that is real-valued
and that x is a real variable.
⦁ Suppose that f(x) is continuous on the interval
a <= x <= b and that f(a).f(b)<0. when this is the case,
f(x) will have opposite sign at the end points of the
interval (a, b) as shown in figure below.

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⦁ If f(x) is continuous and has a solution between the
points x=a and x=b then either f(a)>0 and f(b)<0 or
f(a)<0 and f(b)>0.
⦁ In other words if this is a solution between x=a and x=b
then f(a).f(b) < 0.

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GRAPHICAL METHOD
⦁ The method of finding solution with bisection method is
illustrated in figure.
⦁ It start by finding points a and b, that define the
interval, where a solution exists.
The midpoint of the interval xs1 is then taken as the

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⦁
first estimate for numerical solution. The true solution
is either in the portion between point a and xs1 or in the
portion between points xs1 and b.
⦁ If the solution obtained is not accurate enough a new
interval a new interval that contains the true solution
and its midpoint is taken as new (second) estimate of
the numerical solution.
⦁ The procedure repeated until the numerical solution is
accurate enough according to certain criterion that is
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EXAMPLE 1
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EXAMPLE 2
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EXAMPLE 3
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FOR PRACTICE
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PROBLEMS FOR PRACTICE
PROBLEMS FOR PRACTICE
1. Find the positive root of 𝑥 3 − 𝑥 = 1; correct to four
decimal places by bisection method.(Ans = 1.32475)
2. Assuming that a root of 𝑥 3 − 9𝑥 + 1 = 0 lies in the
interval (2,4), find the root by bisection method.
(Ans=2.9429)
3. Find the positive root of x – cos X = 0; by bisection
method. (Ans=0.73888)
4. Find the positive root of 𝑥 4 − 𝑥 3 − 2𝑥 2 − 6𝑥 − 4 = 0 by
bisection method. (Ans=2.7315)
5. Using bisection method, find the negative root of
𝑥 3 -4x+9=0 by bisection method. (Ans: -2.7065)

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FALSE POSITION METHOD OR
REGULAR FALSI METHOD OR
LINEAR INTERPOLATION METHOD

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FOR PRACTICE
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PROBLEMS FOR PRACTICE
1. Solve for positive root of 𝑥 3 − 4𝑥 + 1 = 0 by Regula
Falsi method. [Ans: 0.25410]
2. Find approximate root of 𝑥 𝑙𝑜𝑔10 x -1.2 =0 by False
Position Method. [Ans: 2.7405]
3. Find the positive root of 𝑥 3 = 2𝑥 + 5 by False Position
method. [Ans: 2.0945]
4. Solve for positive root of x - Cos x =0 by Regula Falsi
method. [Ans: 0.7391]
5. Solve the equation x tan x = -1 by Regula Falsi
method starting with a=2.5 and b= 3 correct to 3
decimal places.[Ans: 2.798]
6. Find a positive root of x. 𝑒 𝑥 =2 by the method of Fasle
Position. [Ans: 0.85261]
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OPEN METHODS
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SECANT METHOD OR
CHORD METHOD
⦁ Algorithm
1. Choose i = 1

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2. Start with guesses xi-1 and xi
3. Use the formula

4. Find

5. Choose i=2 and continue iteration 100

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https://atozmath.com/example/CONM/Bisection.aspx?q=se&q1=E3

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ITERATION METHOD OR
SUCCESSIVE APPROXIMATION METHOD

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Problem 1: solve 𝑒 𝑥 − 3𝑥 = 0 by the method of iteration.
Solution: let 𝑓 𝑥 = 𝑒 𝑥 − 3𝑥 = 0
𝑓 0 = 1 + 𝑣𝑒 ; 𝑓 1 = 𝑒 − 3 = −𝑣𝑒
Root lies between 0 and 1
1
Let 𝑥 = 𝑒𝑥 = ∅ 𝑥
3
1 1
∅′ 𝑥 = 𝑒 𝑥 𝑎𝑛𝑑 ∅′ 0 = ; ∅′ 1 < 1
3 3
In the interval (0.1) |∅′ 𝑥 |<1
1 1
Select 𝑥0 = 0.6, 𝑥1 = 𝑒 𝑥0 = 𝑒 0.6 = 0.60737
3 3
1 1
𝑥2 = 𝑒 0.60737 = 0.61187; 𝑥3 = 𝑒 0.61187 = 0.61452;
3 3
1 1
𝑥4 = 𝑒 0.1452 = 0.61626; 𝑥5 = 𝑒 0.61626 = 0.61733;
3 3
1 0.61733 1 0.61799
𝑥6 = 𝑒 = 0.61799; 𝑥7 = 𝑒 = 0.61840; 𝑥8 =
3 3
1 0.61840 1 1
𝑒 = 0.61865; 𝑥9 = 𝑒 0.61865 = 0.61881; 𝑥10 = 𝑒 0.61881 =
3 3 3
1 0.61891 1 0.61897
0.61891; 𝑥11 = 𝑒 = 0.61897; 𝑥12 = 𝑒 = 0.61900;
3 3
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𝑥13 = 𝑒 0.61900 = 0.61902
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CHEMICAL ENGINEERING APPLICATION

⦁ Bisection Method

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⦁ Newton's Method

⦁ Secant Method

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