Numec
Numec
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TABLE OF CONTENTS
PAGE
1.0 Introduction 1
2.0 Objective(s) 1
3.0 Procedures 2
5.0 Result.. 6
6.0 Discussion 7
7.0 Conclusion.. 7
8.0 Reference 8
9.0 Appendix. 8
MEC500 Numerical Methods With Applications | 2017
1.0 INTRODUCTION
(1)
Where p is the absolute pressure, V is the volume, n is the number of moles, R is the universal gas
constant and T is the absolute temperature. Although this equation is widely by engineer and scientist,
it is accurate over only a limited range of pressure and temperature.
Furthermore, Eqs (1) is more appropriate for some gases that for others. An alternative equation of
state for gasses is given by:
(2)
Known as the van der Waals equation, where v=V/n is the molal volume and a and b are empirical
constants that depend on the particular gas.
2.0 OBJECTIVE(S)
3.0 PROCEDURES
4.0 CALCULATION
Given
P=2.5atm
T=300K,400K,500K
R=0.082054
a=14.09
b=0.0994
Find
Molar volume of acetone.
Theory
pV = nRT -ideal gas equation (1)
a
( p + 2 )(v - b) = RT -Van der waals equation (2)
v
a) T=300K
b) T=400K
c) T=500K
Substitute value,
------(4)
Differentiate equation,
-------(5)
Note that :
Use result from (1) as initial guess ( and stop when . The true
value of V=9.247621.
i vi Vi+1 T (%)
0.720
0 9.84648 9.314488
1 9.314488 9.248603 0.008
For T=400K
i vi vi+1 T (%)
0.220
0 13.12864 12.722785
1 12.727785 12.694812 0.000
For T=500K
i vi vi+1 T (%)
0.090
0 16.4108 16.074818
1 16.074818 16.060137 0.001
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MEC500 Numerical Methods With Applications | 2017
5.0 RESULT
6
MEC500 Numerical Methods With Applications | 2017
6.0 DISCUSSION
The ideal gas law assumed that the value of molecular size and intermolecular force are approaching
zero. The equation was modified into van der Waals equations that consider the characteristic of
individual gases. The constant and are introduced to represents the intermolecular forces and
molecular size. Thus, the volume of acetone that had been calculated is more precise by using the van
der Walls equation.
Newton-Raphson method was used in this analysis. The reasons are this method has fastest way
to calculate the solution with less iteration. Unlike other methods, for example, graphical method
seems like easy but it require graph paper and hand skill to draw the best curve to get the value of
roots. It also not had formula to perform this method. Then, bisection method needs two initial guesses.
NR method just needs one guess to find the answer. So, NR method is the best method to solve the
problem given.
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. Molal volume of acetone, (v) for temperature of 300
K, 400 K and 500 K are 9.247621 L/mol, 12.694972 L/mol and 16.070247 L/mol.
8.0`REFERENCE
1. 1. Law, S., & Lielmezs, J. (1985). Modified Van der Waals equation of state for
saturated vapourliquid equilibrium. Thermochimica Acta, 84, 71-81. doi:10.1016/0040-
6031(85)85375-2
2. Van der Waals equation. (2017, April 17). Retrieved May 21, 2017, from
https://en.wikipedia.org/wiki/Van_der_Waals_equation
3. (n.d.). Retrieved May 21, 2017, from http://hyperphysics.phy-
astr.gsu.edu/hbase/Kinetic/waal.html
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MEC500 Numerical Methods With Applications | 2017
9.0 APPENDIX
For T=300K
For T=500K