221TCH100 COMPUTATIONAL METHODS IN Category Credit

CHEMICAL ENGINEERING
Discipline 3
core

Preamble:
Most of the real-life problems are unsolvable using known analytic techniques, thus
depending on numerical methods is imperative. This course focuses on the use of modern
computational and mathematical techniques in chemical engineering. Statistical analysis of
data is also covered.

Pre-requisites- Nil

Course Outcomes: After the completion of the course the student will be able to

CO1 | Solve polynomial and transcendental equations using appropriate numerical

techniques.
CO2 Solve linear and nonlinear algebraic equationsusing appropriate numerical
techniques
CO3 Solve ordinary differential equationsusingappropriate numericaltechniques.
CO 4 Apply appropriate numerical techniques for polynomial interpolation, differentiation
and integration.
CO5 Solve PDE's by numerical methods
CO 6 Apply statistical methods in dataanalysis
Mapping of course outecomes with program outcomes

PO1 PO 2 PO 3 PO 4 PO5 PO 6 PO7

CO1
CO 2
CO 3
CO4
CO5
CO6

Assessment Pattern

Bloom's Category End Semester Examination

Apply 70 %

Analyse 30 %
Evaluate
Create

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Mark distribution

Total Marks CIE ESE ESE Duration

100 40 60 2.5 hours

Continuous Internal Evaluation Pattern: 40 marks

Preparing a review article based on peer reviewed original publications (nminimum 10

publications shall be referre

:15marks
Course based task/Seminar/Data collection and interpretation : 15 marks
Test paper, I no. :10marks
Test paper shall include minimum 80% of the
syllabus,ALAM
ECHNOOGICAL
End Semester Examination Pattern: 60 marks

The end semester examination will be conducted by the University. There will be two parts:

Part A and Part B.

Part A will contain 5 numericalshort answer questions with one question from each module,

having 5 marks for each question (such questions shall be useful in the testing of knowledge
skills, comprehension, application, analysis, synthesis, evaluation and understanding of the
students). Students should answer all questions.d
Part B will contain 7 questions (such questions shall be useful in the testing of overall
achievement and maturity of the students in a course, through long answer questions relating
to theoreticalvpractical knowledge, derivations, problem solving and quantitative evaluation),

with minimum one question from each module of which student should answer any five.

Each question can carry 7 marks.

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 Model Question paper

QP CODE: PAGES:

Reg No:. **************

Name: **********

API ABDUL KALAM TECHNOLOGICAL UNIVERSITY

FIRST SEMESTER M.TECH DEGREE EXAMINATION, MONTH & YEAR
221TCH100: COMPUTATIONAL METHODS IN CHEMICAL ENGINEERING

Marks:60 Max Duration: 150 min

PART A
Answer all questions, each carry 5 marks

. Air at 25°C and 1 atm flows through a 4 mm diameter tube with an average velocity
of50 m/s. The roughness is e0.0015 mm. Make use of Newton Raphson method
to determine the friction factor using the Colebrook equation given below.
/D2.51
-20 tog3.7ReT
2. Use Runge-Kutta second order method to integrate
fa,y)= -2x3 + 12x2-20x +8.5: y(0) = 1. Find y(1) ifstep size, h = 0.5.
3. The following data gives the melting point of an alloy of lead and zinc, where t is the
temperature in "C and P is the percentage of lead in the alloy:

40 50 60 70 SO 90
184 204 226 250 276 304

Using Newton's interpolation formula, find the melting point of the alloy containing
84 percent of lead.
4. Elaborate the procedure to solve the Laplace equation numerically.
5. A book contains 500 pages. If there are 200 typing errors randomly distributed
throughout the book, use the Poisson distribution to determine the probability that a
page contains exactly three errors.

(5 x5 = 25)

PART B

Answer any five questions, each carry 7 marks

6. Solve the following equations by Jacobi's iteration method

10x-2y-3z= 205;-2x+10y-2 =154;-2x-y+10z= 120

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7. The concentration of salt x in a homemade soap maker is given as a function of time
by a37.5-3.5x .Atthe initial time, t=0, the salt concentrationin the tank is 50
gL Using Runge-Kutta 4h order method and a step size of, h = 0.75 min, determine
the salt concentration after 3 minutes.
8. Find y(2) by Adam Bashforth predictor method given
0.5 1.5

2.636 3.595 4.968

9. The velocity v (km/min) of a moped which starts from rest is given at fixed intervals
time t (min) as
foliowsARDUL KALAM
2
681012 14(1618 20
10 18 25 29 32 20 15 2 0
Estimate approximately, the distance covered in 20 minutes.

cquation below subject to the initial condition u(x. y, 0) sin 2Tx sin 2ty
10. Solve the =

0Sx yS1, and the conditions u(x, y, t)=0, t>0 on the boundaries.
+ A Obtain the solution up to one time level with h= 1/3 and a = 1/8
t
11. Is education level independent of gender? A random sample of 395 people were
surveyed, and each person was asked to report the highest education level they
obtained. The data that resulted from the survey is summarized in the table below.
High School Bachelors Masters Ph.d. Total

Female 60 54 46 1 201

Male 40 44 53 7 194

Total 100 98 99 98 395

Are gender and education level dependent at 5% level of significance? Use Ch-
Square test.

12. It is desired to determine the variability of silver plating done by two companies.
Independent random samples of size 12 of work of companies 1 and 2 yield standard
deviation 0.035 and 0.062 respectively. Test the null hypothesis o = o2 against the
alternate hypothesis o <o at the 0.05 level of significance.
5 x7 35)
$****

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Syllabus
Module I (7 hours)
Numerical solution of polynomial and transcendental equations - bisection method - method
of false position Newton-Raphson method; Systems of linear equations-Direct methods:
Gauss Elimination, Matrix Inversion, Thomas algorithm for tridiagonal systems; Indirect
methods- Jacobi, Gauss Seidel methods, Solution of system of nonlinear equations by
Newton-Raphson method

Module II (7 hours)
Numerical solution of ordinary differential equations. The Taylor s method Euler and
modified Euler methods- Runge-Kutta methods (2nd order and 4th order only) - multistep
methods Milne's predictor corrector formulas Adam-Bashforth & Adam-Moulton
formulas

Module III (8 hours) APLABDUL KALAM

Polynomial interpolation. Lagrange's interpolation polynomial divided differences
Newton's divided difference interpolation polynomial - finite difference operators - Gregory
- Newton forward and backward interpolations - Stirling's interpolation formula Numerical

differentiation differential formulas in the case of equally spaced points numerical

integration - trapezoidal and Simpson's rules - Gaussian integration

Module IV (8 hours)
Partial differential equations- classification, solution of elliptic. hyperbolic and parabolic
partial differential equations by finite diference equations- Poisson, Laplace, Heat and Wave
equations
Module V (10 hours)
Introduction to Statistics: Probability distribution: Bimodal, Poisson, Uniform, Normal,
Correlation and Regression, Linear regression, Confidence limits, types of errors, testing of
hypothesis based on normal, Chi-square test, F-test, Z-test, Student's T-test. Comparison of
means and variances

Reference Books

1. Steven Chapra and Raymond Canale, Numerical Methods for Engineers, 8th Edition,
Mc Graw Hill.
2. Norman W. Loney, Applied Mathematical Methods for Chemical Engineers, 2nd
Edition, Taylor & Francis, 2007.
3. Richard A. Johnson - Probability and Statistics for engineers (PHI)

4. Froberg C.E., Introduction to Numerical Analysis, Addison Wesley

5. Gerald C.F., Applied Numerical Analysis, Addison Wesley
6. Hildebrand F.B., Introduction to Numerical Analysis, T.M.H.

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Course Plan

No Topic No. o
Lectures

Module I (7 hours)
Numerical solution of polynomial and transcendental equations
bisection method method of false position Newton-Raphson method
1.2 Systems of linear equations-Direct methods: Gauss Elimination,
Matrix Inversion, Thomas algorithm for tridiagonal systems
1.3 Indirect methods- Jacobi, Gauss Seidel methods
1.4 Solution of system of nonlinear equations by Newton-Raphson method
Module II(7 hours)
2.1 Numerical solution ofordinary differential equations. The Taylor
series method Euler and modified Euler methods Runge-Kutta
methods (2nd order and 4th order only) A L A M

2.2 Multistep methods Milne's predictor corrector formulas Adam-

Bashforth& Adam-Moulton formulas RSIT
Module IlI(8 hours)
3.1 Polynomial interpolation. Lagrange's interpolation polynomial
3.2 Divided differences Newton's divided difference interpolation
polynomial
3.3 Finite difference operators-Gregory Newton forward and backward
interpolations -Stirling'sinterpolation formula
3.4 Numerical differentiation differential formulas in the case
of equally
spaced points
3.5 Numerical integration - trapezoidal and Simpson's rules Gaussian| 2

integration
4 Module IV (8 hours)
4.1 Partial different ial equations- classification
4.2 Solution of elliptic, hyperbolic and parabolic partial differential
equations by finite difference equations- Poisson, Laplace, Heat and
Wave equations
Module V (10 hours)
5.1 Introduction to Statistics: Probability distribution: Bimodal, Poisson, |
Uniform, Normal
5.2 Correlation and Regression, Linear regression, Confidence limits, 2
types of errors

5.3 Testing of hypothesis based on normal, Chi-square test, F-test, Z-test, 6

Student's T-test, Comparison of means and variances

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