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    Chapter 13DIFFUSION COEFFICIENT IN WATER -INORGANIC COMPOUNDS

    Carl L.YawsLamar University, Beaumont, Texas

    Tabulation ResultsThe results are given in Table 13. For the tabulation, diffusion coefficient at infinite dilution in wateras a function of temperature is given by the equation shown below:

    10glO D=A + Brr (13)where D=diffusion coefficient at infinite dilution in water, cm2/secA and B=regression coefficients for chemical compoundT =temperature, K

    The tabulation is arranged by alphabetical order (Ag, AI, Ar, , Zr ) to provide ease of use inquickly locating the data by using the chemical formula. The compound name and CAS No (ChemicalAbstracts Registry Number) are next provided. Values for regression coefficients are given in the adjacentcolumns. The temperature range for use is given in the next columns (TMIN and TMAX). The equationshould not be used for temperatures outside this range. The next column provides the code for thetabulation. The last three columns provide values for diffusion coeff icient at infinite dilution in water atrepresentative temperatures.In preparing the tabulation, a literature search was conducted to identify data source publications(1-17). Both experimental values for the property under consideration and parameter values for estimationof the property are included in the source publications. The publications were screened and copies ofappropriate data were made. These data were then keyed into the computer to provide a database ofvalues for compounds for which experimental data are available. The database also served as a basis tocheck the accuracy of the estimation methods. Upon completion of data collection, estimation of valuesfor the remaining compounds was performed.The compilations of CRC (2); Hayduk and Laudie (5); Poling, Prausnitz, and O'Connell (14); andYaws (17) were used extensively for the tabulation. In the absence of experimental data for inorganiccompounds, estimates were primarily based on Wilke and Chang (14). Experimental data and estimateswere then regressed to provide the same equation for all compounds.

    Data for polar and high molecular weight compounds are very limited. Also, few experimental dataare available at high temperatures. Thus, the values for these compounds and high temperatures should beconsidered rough approximations. The values at lower temperatures in the region of ambient conditions aremore accurate.A comparison of calculated and data values is shown in Figure 13 for a representative compound.The graph shows favorable agreement of equation and data.Example

    In an engineering analysis, the diffusion coefficient at infinite dilution in water is needed for hydrogen(H2) at 308 K. Determine the diffusion coefficient at infinite dilution in water for hydrogen at this temperature.Substitution of the coefficients from the tabulation and temperature into the above equation yields:IOg10 D=-1.46551 - 8.4259E+02l308 =-4.2012D= 10-42012 = 0.0000629 cm2/sec

    References1. Boerboom, A. J. H. and G. Kleyn, J. Chem. Phys.,.50, 1086 (1969).2. CRC HANDBOOK OF CHEMISTRY AND PHYSICS, 75th 87th eds., CRC Press, Inc., Boca Raton, FL(1994-2007).3. Ferrell, R. T. and D. M. Himmelblau, AIChE J., ra 702 (1967).4. Ferrell, R. T. and D. M. Himmelblau, J. Chem. Eng. Data, 12., 111 (1967).5. Hayduk,W. and H. Laudie, AIChE J., 2.0,611 (1974).6. Himmelblau, D. M., Chem. Rev., 64,527 (1964).7. INTERNATIONALCRITICAL TABLES, McGraw-Hili, New York, NY (1926-1930).8. Jahne, 8., G. Heinz, and W. Dietrich, J. Geophys. Res., 92,10767 (1987).

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    9. Jost, W., DIFFUSION IN SOLIDS, L10tJIDS, AND GASES, Academic Press, NewYork, NY (1952).10. Landolt-Bornstein, ZAHLENWERTE UNO EUNKIONEN ANS PHYSIK, CHEMEI ASTRONOMIE UNDTECHNIK, Springer-Verlag, Heidelberg, Germany (1972-2005).11. Lyman, W. J., W. F. Reehl, and D. H. Rosenblatt, HANDBOOK OF CHEMICAl PROPERTY ESTIMATIONMETHODS, American Chemical Society, Washington, DC (1990).12. Maharajh, D. M. and J. Wakley, Can. J. Chem., 51, 944 (1973).13. O'Brien, R. N. and W. F. Hyslop, Can. J. Chem., 55,1415 (1977).14. Poling, B. E., J. M. Prausnitz, and J. P. O'Connell, THE PROPERTIES OF GASES AND IIOtJIDS, 5th ed.,McGraw-Hili, NewYork, NY (2000).15. Poling, B. E., J. M. Prausnitz, and R. C. Reid, THE PROPERTIES OF GASES AND fIOWDS, 4th ed.,McGraw-Hili, New York, NY (1987).16. Wilke, C. R. and P. Chang, AIChE J., 1, 264 (1955).17. Yaws, C. L., yAWS HANDBOOK OF THERMODYNAMIC AND PHYSICAl PROPERTIES OF CHEMICAlCOMPOUNDS, electronicedition,www.knovel.com. knovel,Norwich, NY (2003-present).

    0.00030-- - - - - - - -

    0.00025 - - - - -.5co~ 0.00020 . ~ - - - - t - - - - +--_.i5(J).:t: 0c: (J)q:: U).= ~ 0.00015 - t - - - - - + - - - - - - - - - - - 1 f - - - - - - + ~iti E'E 0(J)'0

    ~ 0.00010 -oc:.2Ul~ 0.00005 +- - - - - -+o0.00000

    250 275 300 325 350 375 400Temperature, K

    Figure 13 Diffusion Coefficient at Infinite Dilution in Water for Hydrogen

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    Table 13 Diffusion Coefficient at Infinite Dilution in Water -InorganicCompounds109,0D= A + BIT (D cm2 / sec , T K)

    NO 10 FORMULA NAME CAS No A B TMIN TMAX code 0 OTMIN 0 025C OOOTMAX1 200 Ar argon 7440-37-1 -0.98203 -1.0793E+03 274 394 1,2 1.199E-05 2.5OOE-05 1.899E-042 633 Br2 bromine 7726-95-6 -0.54980 -1.2572E+03 274 394 2 7.275E-06 1.712E-05 1.817E-043 652 CO carbon monoxide 630-08-0 -1.27610 -1.0302E+03 274 394 1,2 9.205E-06 1.856E-05 1.286E-044 653 COS carbonyl sulfide 463-58-1 -1.34390 -1.0392E+03 274 394 2 7.304E-06 1.482E-05 1.044E-045 655 CO2 carbon dioxide 124-38-9 -1.37281 -9.9766E+02 274 394 1,2 9.685E-06 1.910E-05 1.245E-046 656 CS2 carbon disulfide 75-15-0 -1.38120 -1.0441E+03 274 394 2 6.430E-06 1.309E-05 9.307E-057 899 CI2 chlorine 7782-50-5 -0.50680 -1.2572E+03 274 394 1,2 8.032E-06 1.890E-05 2.006E-048 1302 02 deuterium 7782-39-0 -1.43019 -8.4259E+02 274 394 2 3.124E-05 5.543E-05 2.699E-049 1409 F2 fluorine 7782-41-4 -0.35434 -1.2572E+03 274 394 2 1.141E-05 2.685E-Q5 2.849E-0410 1691 HBr hydrogen bromide 10035-10-6 -0.88166 -1.0793E+03 274 394 1,2 1.511E-05 3.150E-05 2.393E-0411 1695 HCI hydrogen chloride 7647-01-0 -0.89284 -1.0793E+03 274 394 1,2 1.473E-05 3.070E-05 2.332E-0412 1709 H2 hydrogen 1333-74-0 -1.46551 -8.4259E+02 274 394 1,2 2.880E-05 5.110E-05 2.488E-0413 1714 H2S hydrogen sulfide 7783-06-4 -1.24964 -1.0793E+03 274 394 1,2 6.475E-06 1.350E-05 1.026E-0414 1738 He helium-3 14762-55-1 -2.20807 -6.1092E+02 274 394 2 3.650E-05 5.532E-05 1.743E-0415 1739 He helium-4 7440-59-7 -2.08884 -6.1092E+02 274 394 1,2 4.803E-05 7.280E-05 2.294E-0416 1873 12 iodine 7553-56-2 -0.60913 -1.2572E+03 274 394 2 6.346E-06 1.493E-05 1.585E-0417 2162 Kr krypton 7439-90-9 -1.23098 -1.0448E+03 274 394 1,2 9.036E-06 1.840E-Q5 1.310E-0418 2619 NH3 arrmonia 7664-41-7 -1.24232 -1.0499E+03 274 394 1,2 8.429E-06 1.722E-05 1.238E-0419 2676 N02 nitrogen dioxide 10102-44-0 -1.53021 -9.9081E+02 274 394 1,2 7.140E-06 1.401E-05 9.016E-0520 2678 N2 nitrogen 7727-37-9 -1.07894 -1.0793E+03 274 394 1,2 9.593E-06 2.000E-05 1.519E-0421 2747 N20 nitrous oxide 10024-97-2 1.18498 -1.7218E+03 274 394 1,2 7.960E-06 2.570E-05 6.529E-0422 3091 Ne neon 7440-01-9 -1.78146 -7.7914E+02 274 394 1,2 2.371E-05 4.030E-05 1.742E-0423 3198 02 oxygen 7782-44-7 0.02588 -1.3840E+03 274 394 1,2 9.433E-06 2.420E-05 3.259E-0424 3234 P phosphorus (white) 7723-14-0 -0.29674 -1.2572E+03 274 394 2 1.303E-05 3.066E-05 3.253E-0425 3940 An radon 10043-92-2 -0.81074 -1.2121E+03 274 394 1,2 5.828E-06 1.330E05 1.297E-0426 4007 50 2 sulfur dioxide 7446-09-5 -1.58628 -9.3931E+02 274 394 1,2 9.673E-06 1.833E-05 1.071E-0427 4945 Xe xenon 7440-63-3 -1.07935 -1.1191E+03 274 394 1,2 6.863E-06 1.470E-05 1.203E-04

    code: 1- data, 2 - est imate0' - diffusion coefficient at infinite dilution in water crri' lsecA and B regression coefficients for chemical compoundT - temperature, KTMIN - minimum temperature, KTMAX - maximum temperature, K

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