Linear regression analysis to determine Antoine equation constants W.R.

Wilcox, Clarkson University, s

Correlations of data have great utility for comparison with theory and for summarizing
the data in a more convenient form for engineering calculations. One parameter highly
useful for chemical engineers is the vapor pressure of a liquid versus temperature. For
pure liquids, the Antoine equation is often used to correlate vapor pressure data. This
equation is given by ln(p) = A - B/(T + C), where p is the vapor pressure, T is absolute
temperature, and A, B & C are constants to be determined. If linear regression analysis is
to be used to find these constants, we must put this equation into a linear form. This may
be done by multiplying the Antoine equation by (T + C)/T and rearranging to obtain
ln(p) = A + (AC - B)/T - C ln(p)/T. In this linear form, ln(p) is the dependent variable, 1/T and
ln(p)/T are the independent variables, A is the intercept, (AC - B) is the coefficient for 1/T
and -C is the coefficient for ln(p)/T. Use the Regression tool in Data Analysis to find A, B & C
for the carbon monoxide vapor pressure data via the tab below. Plot the experimental
and predicted values of p versus T. Convert to a log scale for p in order to show the
smaller values. Show the experimental values as points and the predicted values
as a curve. Change the scales to reduce wasted space on the graph.

As is customary, put the dependent variable on the vertical (y) axis

and the independent variable on the horizontal (x) axis.
ox, Clarkson University, spring 2004
 A B C D E F G H I J
1 Solution to Laboratory Assignment 27
2 Analysis of data on vapor pressure of carbon monoxide from Perry's Chemical Engineers Handbook
3 Fit to Antoine equation (ln(p) = A - B/(T + C)). Where T is absolute temperature and A, B, C
4 Solution: One linear form is ln(p) = A + (AC-B)/T - C ln(p)/T are constants to be determined.
5 Click on cells to see the formulas used.
6
7 Original Data Modified units Parameters for regression p (Pa) from
8 p (torr) T (C) p (Pa) T (K) ln(p) 1/T ln(p)/T correlation
9 1 -222.0 133 51.2 4.89 0.0196 0.096 132
10 5 -217.2 667 56.0 6.50 0.0179 0.116 734
11 10 -215.0 1333 58.2 7.20 0.0172 0.124 1412
12 20 -212.8 2666 60.4 7.89 0.0166 0.131 2544
13 40 -210.0 5333 63.2 8.58 0.0158 0.136 4971
14 60 -208.1 7999 65.1 8.99 0.0154 0.138 7497
15 100 -205.7 13332 67.5 9.50 0.0148 0.141 12062
16 200 -201.3 26664 71.9 10.19 0.0139 0.142 25931
17 400 -196.3 53329 76.9 10.88 0.0130 0.142 54084
18 760 -191.3 101325 81.9 11.53 0.0122 0.141 100861
19 202650 89.7 12.22 0.0112 0.136 225131
20 T (C) p (atm) 506625 102.5 13.14 0.0098 0.128 613903
21 -191.3 1 1013250 112.2 13.83 0.0089 0.123 1098707
22 -183.5 2 2026500 123.5 14.52 0.0081 0.118 1895541
23 -170.7 5 3039750 131.3 14.93 0.0076 0.114 2594755
24 -161.0 10
25 -149.7 20
26 -141.9 30
27
28 Using Analysis Tools, Regression we get the output below.
29 SUMMARY OUTPUT
30
31 Regression Statistics
32 Multiple R 0.999691
33 R = R Square
2
0.999382
34 Adjusted R Square 0.999279
35 Standard Error 0.081747
36 Observations 15
37
38 ANOVA
39 df SS MS F Significance F
40 Regression 2 129.617 64.8085 9698.15 5.587E-20
41 Residual 12 0.080191 0.00668
42 Total 14 129.6972
43
44 Parameter Coefficient Standard Et Stat P-value Lower 95% Upper 95%
45 Intercept 19.08881 0.234994 81.2311 8.1E-18 18.576807 19.600822
46 1/T -805.3223 5.877155 -137.03 1.5E-20 -818.12752 -792.517075
47 ln(p)/T 16.13833 1.650594 9.77728 4.6E-07 12.54199 19.7346626
48
49 From this we see:
50 A = 19.08881
51 C = -16.13833
52 B = 497.2608
53 Interpretation of results produced by Regression
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 Antoine correlation for CO

10000000

1000000
Vapor pressure, Pa

100000

Experimental
Correlation
10000

To get a smooth line for the correlation, right

click on a correlation point, select Format
Data Series, Patterns, Line Custom
1000 Smoothed, Marker None. Do not try to use
Trendline as none of the equations built into
this tool is the Antoine equation.

100
50 60 70 80 90 100 110 120 130 140

Temperature, K