8944
Ind. Eng. Chem. Res. 2005, 44, 8944
ADDITIONS AND CORRECTIONS Volume 44, Number 9 Modeling of Aqueous Electrolyte Solutions with Perturbed-Chain Statistical Association Fluid Theory. Luca F. Cameretti, Gabriele Sadowski,* and Jørgen M. Mollerup
Table 2. Optimized ePC-SAFT Parameters for Alkali Halide Ions Li+ Na+ K+ ClBrISO24-
Page 3357. A misprint has crept into the initially published manuscript. Equation 13 must be replaced by
aelec
)-
kT
1 4πkT
∑i
xiqi2 κ
[
3
(κai)3 2
)-
kT
1
∑ 4πkT i
u0j [K]
1.20 1.90 2.66 3.62 3.90 4.32 4.60b
2.795 2.911 3.674 2.986 3.304 3.822 4.361
687.096 157.728 142.057 348.322 698.310 379.295 667.230
The Pauling ionic diameters (aPj ) are given for comparison. This value is not a Pauling ionic diameter. The value was taken from other literature (Y. Marcus, Ion Properties; Marcel Dekker: New York, 1997; Table 3 (ISBN 0-8247-0011-2)). Table 4. Average and Maximum Relative Errors of Vapor Pressures and Densities of Aqueous Solutions of Alkali Halides Calculated by ∆ ) 1 - Model/Expt b
]
xiqi2 κχi 3
aj [Å]
a
+ ln(1 + κai) 1 2(1 + κai) + (1 + κai)2 2
aelec
aPj [Å]a
∆p [%]
(13)
Pages 3359 and 3361. Table 2 (on page 3359) and Tables 4 and 5 (on page 3361) erroneously contain incorrect data. The correct ion parameters are listed below in the revised Table 2, and Tables 4 and 5, giving the relative deviations between modeled and experimental data for the aqueous single-salt and multiplesalt solutions, respectively, have also been updated (see below).
∆F [%]
salt
mmaxa
average
max
mmaxa
average
max
LiCl NaCl KCl LiBr NaBr KBr LiI NaI KI Li2SO4 Na2SO4 K2SO4
12.7 13.8 7.5 6.2 8.0 8.4 4.8 5.0 8.5 3.2 3.5 1.0
4.8 9.8 8.1 8.2 6.3 5.7 5.8 6.8 5.9 4.9 5.0 12.1
12.2 17.3 13.1 13.1 12.2 12.2 12.2 12.2 12.2 12.7 7.4 14.5
19.3 21.4 13.9 5.7 8.0 10.0 4.5 5.6 9.0 3.0 2.3 0.6
1.5 0.7 1.0 1.1 0.9 0.8 0.9 1.4 0.8 2.9 3.3 1.3
2.4 1.6 1.7 1.8 1.8 1.8 1.8 2.1 1.8 6.5 7.6 2.7
a m max denotes the maximum molality of the electrolyte solutions data points for vapor pressure and density.
Table 5. Comparison of Predicted Vapor-Pressures and Experimental Data of Aqueous NaCl-KBr and NaBr-KCl Solutions NaCl + KBr
NaBr + KCl
T [K]
NaCl [m]
KBr [m]
pexp [kPa]
pmod [kPa]
∆p [%]
NaBr [m]
∆p [%]
KCl [m]
pexp [kPa]
pmod [kPa]
303.15 303.15 303.15 308.15 308.15 308.15 313.15 313.15 313.15 318.15 318.15 318.15 318.15 323.15 323.15 323.15 323.15 328.15 328.15 328.15 328.15 333.15 333.15 333.15 333.15
0.999 1.500 2.000 1.001 1.496 2.001 0.998 1.501 1.998 0.501 1.002 1.499 2.000 0.499 0.998 1.496 1.999 0.496 1.001 1.502 2.001 0.499 1.000 1.499 1.997
1.001 1.498 1.999 0.998 1.502 1.998 1.001 1.498 2.001 0.499 0.999 1.501 2.001 0.498 1.004 1.501 1.998 0.503 0.999 1.497 1.998 0.502 1.001 1.502 1.998
0.0394 0.0377 0.0359 0.0522 0.0499 0.0480 0.0682 0.0658 0.0630 0.0923 0.0893 0.0853 0.0818 0.1195 0.1149 0.1102 0.1050 0.1520 0.1459 0.1401 0.1333 0.1917 0.1848 0.1771 0.1693
0.04328 0.04046 0.03744 0.05706 0.05338 0.04945 0.07452 0.06976 0.06470 0.10174 0.09644 0.09035 0.08387 0.13050 0.12373 0.11604 0.10784 0.16599 0.15750 0.14779 0.13746 0.20950 0.19887 0.18672 0.17390
9.84 7.32 4.29 9.31 6.97 3.03 9.26 6.03 2.69 10.22 7.99 5.92 2.53 9.21 7.68 5.30 2.70 9.20 7.95 5.49 3.12 9.28 7.61 5.43 2.72
1.000 1.502 1.999 1.002 1.501 2.001 0.999 1.498 1.999 0.501 1.003 1.497 1.999 0.499 1.002 1.499 2.003 0.501 0.997 1.501 2.002 0.503 1.002 1.499 1.998
1.002 1.498 2.002 0.999 1.499 1.998 0.998 1.500 1.999 0.500 0.009 1.503 2.001 0.501 0.999 1.499 1.998 0.500 1.004 1.502 1.999 0.497 1.000 1.503 2.001
0.0394 0.0377 0.0360 0.0521 0.0501 0.0479 0.0683 0.0660 0.0632 0.0923 0.0891 0.0855 0.0820 0.1194 0.1149 0.1100 0.1049 0.1520 0.1460 0.1400 0.1333 0.1917 0.1848 0.1771 0.1691
0.04327 0.04045 0.03744 0.05705 0.05337 0.04945 0.07453 0.06977 0.06470 0.10173 0.10153 0.09036 0.08388 0.13048 0.12374 0.11604 0.10780 0.16598 0.15749 0.14774 0.13743 0.20951 0.19886 0.18672 0.17386
9.83 7.29 3.99 9.51 6.53 3.24 9.12 5.71 2.38 10.22 13.95 5.68 2.29 9.28 7.69 5.49 2.77 9.20 7.87 5.53 3.10 9.29 7.61 5.43 2.81
IE051055I 10.1021/ie051055i CCC: $30.25 © 2005 American Chemical Society Published on Web 10/14/2005
