University of San Carlos

Department of Chemical Engineering

CHM 410 Mathematical Modeling in Chemical Engineering

PROBLEM SET 1. Empirical Models in Chemical Engineering
A. Models from Data Regression
1. Heat Transfer Correlations from Dimensional Analysis. An important tool in the correlation of
engineering data is the use of dimensional analysis. This treatment leads to the determination of the
independent dimensionless numbers, which may be important for a particular problem. A dimensional
analysis of heat transfer within a pipe leads to the result that the Nusselt (Nu) number is expected to
be a function of the Reynolds (Re) and Prandtl (Pr) numbers.
= ( , )
A typical correlation function suggested is
=
(1)
where a, b, and c are parameters that can be determined from experimental data.
A widely used correlation for heat transfer during turbulent flow in pipes is the Sieder-Tate equation:
= 0.023

in which a dimensionless viscosity ratio has been added. This ratio is the viscosity at the mean fluid
temperature to that at the wall temperature. The functional form of the Sieder-Tate equation is
=

(2)

Table 1 gives some of the data reported by Katz and Williams for heat transfer external to - inch
outside diameter tubes where the Re, Pr, ( ), and Nu dimensionless numbers have been
measured.
Table 1. Heat Transfer Data External to - inch OD Tubes

Re
Pr
49000
2.3
0.947
68600
2.28
0.954
84800
2.27
0.959
34200
2.32
0.943
22900
2.36
0.936
1321
246
0.592
931
247
0.583
518
251
0.579
346
273
0.29
122.9
1518
0.294
54.0
1590
0.279

Nu
277
348
421
223
177
114.8
95.9
68.3
49.1
56
39.9

84.6
1249
1021
465
54.8

1521
107.4
186
414
1302

0.267
0.724
0.612
0.512
0.273

47
94.2
99.9
83.1
35.9

Do regression to determine the parameter values of the functional forms of equation (1) and (2) that
represent the data in Table 1. Which of the two correlations would you recommend?
2. Correlation of Binary Activity Coefficients Using Margules Equations
The Margules equations for correlation of binary activity coefficients are
[ (2 ) + 2 ( )]
=
[ (2 ) + 2 ( )]
=
where x1 and x2 are mole fraction of components 1 and 2, respectively, and and
coefficients. Parameters A and B are constants for a particular binary mixture.

(3)
(4)
are activity

Equations (3) and (4) can be combined to give the excess Gibbs energy expression:
=

(5)

Activity coefficients at various mole fractions are available for the benzene and n-heptane binary
system in Table 2, from which

in equation (5) can be calculated.

Table 2. Activity Coefficients for the System Benzene (1) and n-Heptane (2)
x1
0.0464
1.2968
0.9985
0.0861
1.2798
0.9998
0.2004
1.2358
1.0068
0.2792
1.1988
1.0159
0.3842
1.1598
1.0359
0.4857
1.1196
1.0676
0.5824
1.0838
1.1096
0.6904
1.0538
1.1664
0.7842
1.0311
1.2401
0.8972
1.0078
1.4038
Use regression on equation (5) with the data of Table 2 to determine A and B in the Margules
equations for the benzene and n-heptane binary system.

B. Numerical Integration
3. Expansion Work
A constant temperature, pressure-volume thermodynamic process has the following data:
Pressure (kPa)
Volume (m3)

420
0.5

We know that W

pdV

368
2

333
3

326
4

326
5

312
6

242
10

207
11

where W is work, p is pressure and V is volume. Using a combination of the

trapezoidal rule, Simpsons 1/3 rule, and Simpsons 3/8 rule, compute the work in kJ.
4. Flow Rate in a Pipe
If the velocity distribution of a fluid flowing through a
pipe is known, the flow rate Q (that is, the volume of
water passing through the pipe per unit time) can be

computed by Q vdA , where v is the velocity and A

is the pipes cross-sectional area. For a circular pipe,

A r 2 and dA 2rdr . Therefore,

r0

Q v2r dr where r is the radial distance measured outward from the center of the pipe. If the
0

velocity distribution is given by v 2.0 1 rr0

where r0 is the total radius (in this case, 2 cm), compute

Q using multiple-application of the trapezoidal rule. Use n 5 .