TABLE OF CONTENT

CONTENT PAGE
1.0 Introduction 2
2.0 Objective(s) 3
3.0 Procedures 3
4.0 Sample Calculation 4-6
5.0 Result 7
6.0 Discussion 8
7.0 Conclusion 8
8.0 Reference 8
9.0 Appendix 9
 MEC 500 Numerical Methods With application 2017

1.0 INTRODUCTION

Numerical techniques are important for practical application because engineers frequently
encounter problems that cannot be approached using analytically techniques. For example,
simple mathematical models that can be solved analytically may not be applicable when
real problems are involved. Thus, more complicated models must be employed. For these
cases, it is appropriate to implement numerical solution on a computer. In other situations,
engineering design problems may require solutions for implicit variables in complicated
equations.

The following case are typical of those that are routinely encountered during upper-class
course and graduate studies. Furthermore, they are representative of problems that will be
address professionally. The problems are drawn from the four major discipline of
engineering; chemical, civil, electrical and mechanical. These application also serve to
illustrate the trade-offs among the various numerical techniques.

The first application, provides an excellent example of how root-location methods allow
you to use realistic formula in engineering practice. In addition, it is also demonstrate how
the efficiency of the Newton-Raphson technique is used to advantage when a large number
of root-location computations is required.

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 MEC 500 Numerical Methods With application 2017

2.0 OBJECTIVES

1) To analyze and solve the problem using numerical techniques.

3.0 PROCEDURES
1) was calculated for temperature 300K by using ideal gas law.
2) The equation of function, () was calculated by using equation of state for gases
according to van der Waals equation.
3) Then, the equation of function, () was differentiated to get ().
4) Next, the value of molar volume, was determined by Newton-Raphson iterative
method.
5) The value in (4) then was substituted into (2) and (3).
6) Then, the calculations were repeated until third iteration.
7) Next, find the approximate error for each iteration.
8) Step (10) to (7) were repeated using temperature of 400K and 500K.
9) All calculation were made using Microsoft Excel.

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 MEC 500 Numerical Methods With application 2017

4.0 SAMPLE CALCULATION

The ideal gas law is given by :

= ..(1)

Where : = absolute pressure

= number of moles

= volume

*equation (1) is more appropriate for some gases

Alternatively :

( + 2) ( ) = ..(2)

*van der waals equation

Where : = (molar volume)

= empirical constant

Given : = 14.09

= 0.00994

1 = 300K

2 = 400K

3 = 500K

Sample calculation (300K)

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 MEC 500 Numerical Methods With application 2017

(0.082054)(300)
0 = = = = 9.84648 (3)
2.5

An alternative equation of state for gases is according to van der Waals equation :

( + 2) ( ) =

Now thus the root is :

() = ( +
2
) ( ) (4)

Substitute (3) into (4) :

14.09
(9.84648) = (2.5 + (9.84648)2 ) (9.84648 0.00994) (0.082054)(300) = 1.404674

Next, differentiate equation (4) :

2
() = 2 + .. (5)
3

Then, substitute (3) into (5) :

14.09 2(14.09)(0.00994)
(9.84648) = 2.5 (9.84648)2 + (9.84648)3
= 2.354966

Next, calculate molar volume, using Newton-Raphson iterative method :

(+ 2 )( ) ( )
+1 =
= (6)
2 ( )
(+ 2 )( ) 3

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 MEC 500 Numerical Methods With application 2017

First iteration :

1.404674
1 = 9.846480 2.354966 = 9.250007

14.09
(9.250007) = (2.5 + (9.250007)2 ) (9.250007 0.00994) (0.082054)(300) =

0.005572

14.09 2(14.09)(0.0094)
(9.250007) = 2.5 (9.250007)2 + (9.250007)3
= 2.335679

+1 9.2500079.846480
= | | 100 = | | 100 = 6.448353%
+1 9.250009

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 MEC 500 Numerical Methods With application 2017

5.0 RESULT

Temperature, 1 = 300
(L/mol) ( ) ( ) (%)
0 9.846480 1.404674 2.354966
1 9.250009 0.005572 2.335679 6.448353
2 9.247621 0.000000 2.335595 0.025799
3 9.247621 0.000000 2.335595 0.000000
Temperature, 2 = 400
(L/mol) ( ) ( ) (%)
0 13.128640 1.047564 2.418377
1 12.695472 0.001205 2.412716 3.411989
2 12.694972 0.000000 2.412710 0.003935
3 12.694972 0.000000 2.412710 0.000000
Temperature, 3 = 500
(L/mol) ( ) ( ) (%)
0 16.410800 0.833211 2.447745
1 16.070401 0.000377 2.445510 2.118176
2 16.070247 0.000000 2.445509 0.000958
3 16.070247 0.000000 2.115509 0.000000

For T = 300K, after 3 iteration, molar volume of acetone is 9.247621 L/mol.

For T = 400K, after 3 iteration, molar volume of acetone is 12.694972 L/mol.

For T = 500K, after 3 iteration, molar volume of acetone is 16.070247 L/mol.

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 MEC 500 Numerical Methods With application 2017

6.0 DISCUSSION

More complicated models must be employed to solve this type of question. For this case, it is
appropriate to implement numerical solution on a computer. Method chosen to solve this type
of question is Newton-Raphson method. Selection of this method to solve this type of question
because it is one of the fastest convergences to the root. Furthermore, it converges on the root
quadraticly ; where near a root, the number of significant digits approximately doubles with
each step. This leads to the ability of the Newton-Raphson method to polish a root from another
convergences technique. Moreover, this technique is easy to convert to multiple dimension and
can be used to polish a root found by other methods.

From the Newton-Raphson iterative method used, 3 iteration was calculated. For temperature
of 300K, the molar volume of acetone is 9.247621 L/mol. For the temperature of 400K, the
molar volume of acetone is 12.694972 L/mol. Lastly, for temperature of 500K, the molar
volume of acetone is 16.070247 L/mol.

7.0 CONCLUSION

In conclusion, I was able to analyze and solve the problem using numerical technique, which
is Newton-Raphson iterative method. Next, I was able to use computer computational tool to
verify the result, which is Microsoft Excel. Molar volume of acetone, temperature of 300K,
400K and 500K are 9.247621 L/mol, 12.694972 L/mol and 16.070247 L/mol.

8.0 REFERENCE

1) Steven C. Chapra and Raymond P. Canale. Numerical Methods for Engineers (6th Edition
International Edition). McGrawHill. 2010.

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 MEC 500 Numerical Methods With application 2017

9.0 APPENDIX

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MEC 500 Numerical Methods With application 2017

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