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AUTHORS J. Caluin Gzddings is Aofessw of Chishy at the
Uniucrsiry of Utah. Edward N . Fullcr and Paul D . Schcttlcr The origin of most empirical diffusioncorrelations can
are graduak and posldoctwol fcllows, respectiwly, at Utah. be traced back to the hard sphere model, given below in
VOL 5 8 NO. 5 M A Y 1 9 6 6 19
the Chapman-Enskog form ( 9 ) Clb(l/MA + 1/MB)1l2
+ (ZBU,)P2]a3
DAB =
3
[ 8kT
(‘ImA + l/mB)]
112
C
DAB =
=
fi[(zAU;l
an arbitrary constant
DAB = binary diffusion coefficient, sq. cm./sec. fi
= pressure, atm.
12 = total concentration of both species, mole- M,,itlB = mol. wt., gram/mole
cules/cc.
T = temperature, O K. The parameters listed below are to be optimized by
k = the Boltzmann constant, ergs/’ K. least squares analysis :
mA, mB = molecular mass, grams
b = temperature power dependence
uAB = +
‘/z(u, uB),collision diameter, separation ut = special diffusion parameters to be summed
between molecular centers of unlike pairs
over atoms, groups, and structural
upon collision, cni.
features of the diffusing species (dimen-
This equation is sometimes used to predict gaseous sions determined by the cy’s)
diffusion coefficients, but its use suffers from two serious o(1, a2, 0 1 3 = arbitrary exponents to the zAvcand
limitations. The first limitation is the power tem- ZBV,
perature dependence; observed values usually lie in the
range 1.6 to 1.8 (29, 53). This difference between the Later the us’s will be converted to “diffusion volumes,”
simple theory and experimental observations arises from but in this general form these are simply general param-
the fact that u slowly decreases with increasing tempera- eters for which an additive relationship has been
ture (molecular softness). The second limitation, al- assumed. The procedure for estimating u by means of
though not a source of error, is that very few of the re- additive diffusion parameters is analogous to the proce-
quired u are available in the literature, and even these dure used in the earlier Arnold method using the Le Bas
are applicable only over narrow temperature ranges be- volumes. However, the present approach of using
cause of the temperature dependence of u. parameters obtained directly from experimental dif-
In 1930 Arnold (5) made two contributions aimed at fusion data probably has a higher accuracy than methods
overcoming the two main limitations on the hard sphere using parameters obtained by independent means.
model. First he introduced a Sutherland temperature All parameters for use in the present correlation were
correction in his equation to obtain an improved tem- obtained from a nonlinear least squares analysis of 153
perature dependence. I n addition, he correlated u different binary systems (340 actual data points). The
with an easily measured property of the diffusing sub- resulting fit to these data gave an average difference
stance; in his method, c w-as estimated as the cube root between oberved and predicted values of only 4.3%.
of the sum of Le Bas atomic volume parameters. Arnold’s
second contribution solved the problem stemming from The Computational Problem
the scarcity of experimental u’s, making it possible to The least squares analysis involved minimizing the
estimate diffusion coefficients for almost any binary gas expression :
phase system. N
The correlation of u with molar boiling point volumes (3)
estimated from the Le Bas parameters was retained by
Gilliland (78) in his correlation of 1934, but he elimi- 4’ suni of the squares of the relative differences
=
nated the Sutherland temperature correction. An ap- between observed and estimated values
parent explanation for this step was increased simplicity. N = number of data points
Lack of data for diffusion coefficients as a function of Y , = ith observed value of the dependent variable;
temperature with which to check the Arnold correction in this case the observed DAB
made the latter doubtful in value. E, = ith estimated value corresponding to Y,; i n
Other workers have pursued different lines of attack. this case DABestimated from Equation 2
I n 1950 another correlation based on the Le Bas param-
eters was introduced by Andrussow ( 4 ) with a 1.78 The relative least squares approach was used because
power temperature dependence. Some workers have the experimental values range over three orders of
estimated u from the cube root of the critical volume, magnitude while the fractional experimental error prob-
and in 1962 Chen and Othmer ( 7 7) used the 0.4 power of ably remains almost constant. In such cases an abso-
the critical volume. Correlations based on critical lute least squares analysis becomes dominated by the
volumes, however, are only partially able to overcome larger diffusion coefficients and their corresponding
the second limitation of the hard sphere model since larger absolute deviations.
experimental critical volumes have been determined for An excellent general Fortran program by Marquardt
only a limited number of substances. (39) [see also references (37, 3 8 ) ]was easily adapted to
T o gain even more freedom from the physical and the solution of this rather formidable problem of minimiz-
mathematical restrictions of the hard sphere model, ing the 4 ’ function simultaneously with respect to all
the following generalized function was fitted to the the parameters. When we started with initial guesses
data in this investigation : for the volume parameters obtained from scaled critical
20 INDUSTRIAL A N D E N G I N E E R I N G CHEMISTRY
volumes and reasonable values for the others, the IBM
7040 computer met the convergence tests of the pro-
gram by means of iteration over different values of each
parameter in roughly l / 2 hour of operation.
i
Per cent of calculated
values with more than
10% error 7.4 79.8 74.4 37.1 19.1 20.6 40.0 45.9 55.3
All entries are in average YOerror except as noted.
a Average yo error excluding starred systems. Average 70error excluding H Z and He systems.
The error from Hz and He estimates should not be charged to the Slattery-Bird method since the method does not apply to these systems. Average yo error f o r
.starred system in Table III.
.
TABLE I l l PERCENTAGE ERROR INTRODUCED BY VARIOUS EQUATIONS
USED TO PREDICT EXPERIMENTAL DIFFUSION COEFFICIENTS.
SYSTEM REF. TEMP.a 0BS.b FSGC ANDRd HBSe CH-OTf OT-CHg GlLLh A R N l MOD-HB Si SL-BDk
HZ-ME 17 296.2 1.1320 46.16 12.18 44.36 74.52 37.94 27.34 54.66 61.52 43.40
H2-02 19 288.2 1.2400 -2.99 -3.52 22.98 50.30 -5.67 -12.93 -1.25 0.33 -14.14
142-02 27 295.5 1.2500 0.54 -0.64 27.55 55.57 -2.21 -9.73 2.49 4.17 -10.19
HZ-NZ 47 193.0 0.3680 -3.72 -12.06 -15.83 19.05 -2.16 -6.20 -2.44 - 3.24 -22.02
H2-N2 48 200.0 0.4010 -5.96 -14.86 -17.70 16.49 -4.43 -8.38 -4.51 -5.24 -22.17
H2-N2 47 253.0 0.6000 -5.16 -19.04 -16.42 18-12 -3.96 -7.93 -2.33 -2.79 -11.26
HZ-NZ 47 273.0 0.7080 -8.19 -23.10 -18.90 14.30 -7.69 -11.50 -5.01 -5.36 -11.22
H2-NZ 6 287.5 0.7430 -4.22 -20.81 -15.26 19.13 -3.48 -7.47 -0.60 -0.90 -5.48
H2-N2 52 294.0 0.7630 -3.01 -20.25 -14.13 20.57 -2.35 -6.39 0.79 0.52 -3.48
H2-N2 17 297.2 0.7190 -3.18 -20.61 -14.26 20.31 -2.58 -6.61 0.68 0.42 -3.27
H2-N2 48 300.0 0.8000 -4.16 -21.60 -15.10 19.06 -3.76 -7.74 -0.29 -0.53 -3.93
H2-N2 47 303.5 0.8520 -8.17 -25.09 -18.62 14.05 -7.72 -11.53 -4.39 -4.61 - 1.56
H2-N2 52 322.0 0.9030 -3.90 -22.77 -14.69 19.38 -3.80 -7.77 0.41 0.26 -1.33
H2-NZ 52 398.0 1.2890 -2.46 -25.65 -12.86 19.38 -3.52 -7.51 3.22 3.35 5.97
HZ-N2 49 400.0 1.2700 -0.12 -23.97 -10.76 22.18 -1.25 -5.33 5.72 5.86 8-62
H2-N2 52 450.0 1.5410 1-15 -25.23 -9.30 22.53 -0.84 -4.94 7.83 8.14 12.44
H2-N2 52 506.0 1.8830 1.64 -27.04 -8.54 21.69 -1.21 -5.30 9.12 9.60 14.79
H2-N2 52 573.0 2.4170 -1.56 -31.50 -11.09 16-19 -5.00 -8.93 6.47 7.11 12.37
H2-AR 57 287.9 0.8280 -11.19 -27.05 -23.77 4.71 -9.75 -13.30 -6.89 -8.95 -7.78
HZ-AR 57 354.2 1.1110 -4.87 -25.81 -17.84 12.00 -4.16 -7.93 0.97 -0.99 5.64
H2-AR 57 418.0 1.7140 -17.61 -38.35 -28.49 -3.63 -17.67 -20.91 -11.67 -13.21 -4.93
H2-CO 27 295.6 0.7430 -1.53 -15.63 -3.02 27.53 2.10 -2.12 2.32 2.58 -1.45
H2 -C 02 6 ?89.2 0.6190 -2.34 -8.59 -4.93 25.99 -3.06 -6.84 3.77 -0.42 10.66
112-c 0 2
M2-CO2
H2-Y A T ER
17
50
7 298.0
298.2
307.3
0.6460
0.6650
1.0200
-1.36
-4.08
-9.19
-8-38
-10.91
-19.90
-3.91
-6.54
-9.65
%:::
-4.02
-2.40
-4.84
-4.26
-6.20
-8.55
-8.56
4.57
1.71
-19.76
0.78
-1.98
33.40
12.99
9.92
2.85
HZ-YATER 50 328.6 1,1210 -7.09 -19.41 -7.38 -0.96 -1.66 -6.08 -17.57 41.93 7.56
H2-WATER 50 352.? 1.2000 -1.76 -16.28 -1.86 5.54 3.97 -0.69 -12.48 56.41 16.09
H2-NHj 52 273.0 0.7454 -4.50 -20.50 -12.85 -1.00 9.09 4.13 -14.36 -23.11 -3.23
HZ-NH 5 52 293.0 0.8337 -3.37 -20.97 -11-63 0.90 10.84 5.81 -12.98 -21.79 0.64
H2-NH3 27 296.8 0.8560 -3.74 -21.53 -11.94 0.63 10.54 5.51 -13.24 -22.02 0.73
H2-NH3 52 333.0 1.0210 -1.29 -21-81 -3.38 4.13 13-36 8-20 -10.42 -19.36 7.32
H2-NH3 52 413.0 1.4350 2.37 -23-16 -5.41 9.00 17.79 12.44 -5.89 -15.05 17.43
HZ-NH~ 52 533.0 2.1490 6.82 -24.78 -0.55 13.65 22-02 16.47 -0.78 -9.69 27.08
H2-SfL 57 286.2 0.3960 -2.07 -3.56 -5.68 32.66 -?.28 -5.80 11.30 17.33 10.36
H2-SF6 57 506.9 0.4580 -4.32 -7-41 -7.65 2Y.94 -4.30 -7.75 9.20 15.22 10.59
HZ-SF6 57 370.8 0.6070 -5.70 -12.95 -8.46 28.33 -6.00 -9.38 8.86 15.14 15.28
M2-SF6 57 418.0 0.8380 -10.21 -19.56 -12.53 21.93 -10.87 -14.08 4.40 10.60 12.70
M2-HETHANE 7 298.0 0.7260 -5.33 -10.44 1.12 27.25 -1.14 -5.70 0.77 0.29 2.34
HZ-E T HANE 7 298.0 0.5370 -3.33 -6.99 0.02 29.24 3.18 -1.04 5.65 6.46 7.20
H2-N-BUTANE 51 287.9 0.3610 -0.74 -2.26 -0.11 31.04 12.18 7.92 4.53 14.36 5.05
H2-N-BUTANE 57 354.2 0.5070 1.99 -5.03 2.85 35.20 15.97 11.57 8.30 18-81 14.98
H2-N-8UT AN€ 57 430.0 0.1630 -4.85 -15.59 -3.48 26.14 8.51 4.40 2.23 12.43 12.05
HZ-N-HEXANE 14 288.7 0.2900 3.08 1.41 1-66 34.72 12.12 7.98 4.82 20.84 3.33
HZ-2.3-01HETHVL8UTANt* 14 288.8 0.3010 -0.63 -2.25 -2.00 30.54 9.44 5.40 2.76 18.67 1.44
H2-CYCLOHEXANE 14 288.5 0.3190 -4.94 0.14 0.48 30.60 1.51 -2.24 3.31 15.94 5.30
H2-MET HVLCY CLOPENT AN€* 14 288.5 0.3180 -4.64 -0.94 -0.60 30.05 7.75 3.77 2.29 15.84 3.28
H2-N-HEPT AN€* 12 303.2 0.2830 6.85 3.95 4.92 39.91 15.89 11.65 7.37 26.74 -6.38
~ Z - 2 ~ 4 - O I M E l H V L P E N T A N E ~ 12 303.3 0.2970 1.87 -0.90 0.04 34.41 11.87 7-77 3.84 23.71 2.57
H2-N-OCTANE 12 303.2 0.2770 2.27 -0.42 -0.05 33.85 -3.74 -7.24 0.71 22.15 -1.25
M 2 ~ 2 ~ 2 ~ 4 ~ T R l M E T H Y L P E N T .1. 2 303.2 0.2920 -2.98 -5.53 -5.18 28.31 7.11 3.21 -1.61 19.78 -3.64
H2-N-OECANE* 14 364.1 0.3060 14.16 6.32 11.35 50.57 25.12 20.61 13.10 40.84 14.32
H2-2.3v3-lRIMEIHYLHEPT.~ 14 363.9 0.2700 29.26 20.40 26.07 70.86 41.68 36.58 28.05 59.46 29.41
H2 -N-OOOECANE 14 399.6 0.3080 21.74 10.81 15-34 60.90 33.99 29.19 19.39 53.26 25.97
H2-BENZENE 26 311.3 0.4036 -0.82 -2.03 0.77 29.21 6.41 2.46 2.10 11.54 8.88
HZ-PYRIDINE* 26 317.9 0.4370 1.94 -3.54 -0.26 25.55 0.17 -3.54 -2.78 9.50 5.79
H2-PIPERIOINE+ 26 314.7 0.4030 -?a67 -1.24 -4.69 22.59 2.11 -1.66 -2.05 9.82 4.10
HZ-THIOPHENE* 26 302.2 0.4000 6.46 -1.69 -0.06 27.46 4.89 1.01 2.39 3.56 10.38
~ 2 - rEl RAHVOROl H I OPHENE. 24 318.4 0.4120 -3.08 -4.05 -1.25 27.38 5.03 1.16 1.81 9.12 10.79
02-ME 27 295.1 1.2500 8.60 -18.13 1-01 27.25 -1.02 -4.53 13-69 18.91 3.11
02-N2 27 296.0 0.5420 3.31 -16.53 -10.32 26.46 1.06 2.09 6-64 6.82 -2.09
D2-AIR 21 296.8 0.5650 -5.48 -18.46 -12.59 23.83 -1.98 -0.94 3-19 2.82 -4.33
02-AR 27 296.8 0.5750 -0.48 -20.12 -16.06 15.58 -1.83 -0.56 3.85 1-91 -0.91
02-to 27 295.7 0.5490 -0.79 -16.26 -10.13 26-59 -0.03 0.99 2-34 3.07 -5.76
02-to2 27 295.7 0.41kO -2.51 -10.51 -6.60 24.14 -5.87 -4.60 2.67 -0.61 5.53
02-NM3 2r 296.8 0.6300 -0.90 -20.46 -11.54 5-00 10.24 10.75 -11.26 -20.00 -1.07
02-SF6 27 295.7 0.3050 -2.69 -6.02 -7.29 30.50 -34.00 -32.84 9.93 16.95 4.55
02-N-HEPT AN€+ 12 303.2 0.2180 0.37 -3.27 -2.45 30.19 6.53 8.32 -0.19 19.37 -6.13
02-2~4-01NETHVLPENTANE~ 1 2 303.2
303.2
0.2240
0.2080
-2.32
-1.59
-5.86
-5.05
-5.07
-4.77
27-66 4.98 6.74 -1.46 18. 93 - 7.62
02-N-OCl ANE 12 27.62 -9.18 -7.62 -4.13 17.89 -10.82
02-212~4-1RIMETMYLPENT.. 12 303.2 0.2120 -3.44 -6.84 -6.57 26.53 4.27 6-05 -3.12 19.56 -9.97
HE-NZ 59 293.0 0.7050 -3.58 -36.66 -32.20 -5.14 -3.52 -2.52 7.52 IO. 77 3.73
H E I T R )-N2 60 298.0 0.7300 -4.08 -31.26 -32.52 -5.67 -4.14 -3.16 7.07 10.33 3.83
HE-N2I T R ) 60 2Y8.0 0.6880 1.77 -33.43 -28.40 0.09 1.71 2.75 13.60 17.06 10.17
HE-N2 I T R I I? 298.2 0.6870 2-04 -33.26 -28.21 0.35 1.96 3.01 13.91 17.37 10.48
HE (TRI-N2 17 298.2 0.7170 -2.23 -36.06 -31.21 -3.84 -2.31 -1.30 9.14 12.46 5-86
HE-N2 60 300.0 0.7430 -4.65 -31.73 -32.90 -6.24 -4.78 -3.80 6.47 9.73 3.46
HE-HEXANOL* 53 503.2 0.631 0 1.64 -24.85 -12.73 11.97 15.33 17.28 19.24 44.40 32.27
HE-HEXANOLI 53 523.2 0.6860 0.09 -26.71 -13.96 10.18 13.24 15.15 17.70 42.61 30.79
NZ-AR 59 793.0 0.1940 -0.27 -28.96 -27.53 -6.76 -3.35 5.01 1.87 -2.36 -7.29
N2-CO 6 289.5 0.2110 -7.69 -31.15 -29.73 -4.76 -8.52 -1.11 -7.00 -9.17 -17.23
NZ-CO 27 295.8 0.2120 -4.60 -29.22 -26.81 -1.49 -5.53 2.12 -3.76 -5.98 -13.78
NZ-CO2 6 289.2 0.1580 -1.50 -20.71 -19.67 -2.38 -9.04 -1.05 -0.56 -6;68 -2.98
N2-CO2 59 293.0 0.1630 -2.31 -21.63 -20.30 -3.04 -9.65 -1.72 -1.31 -7.36 -3.31
n2-COZ 7 298.0 0.1650 -0.59 -20.59 -18.86 -1.15 -8.01 0.06 0.53 -5.62 -1.00
N2 I T R I -COZ 60 298.0 0.1670 -1.78 -21.54 -19.83 -2.34 -9.11 -1.13 -0.68 -6.75 -2.19
NZ-COZ I T R I 60 298.0 0.1670 -1.78 -2 1.54 -19.83 -2.34 -9.11 -1.13 -0.68 -ha75 -2.19
NZ-CO2 IT R I 17 298.2 0.1630 0.74 -19.53 -11.76 0.18 -6.70 1.49 1.88 -4.35 0.35
NZ I T R I -C02 17 298.2 0.1810 -9.27 -27.53 -?5.94’ -9.78 -15.98 -8.60 -8.25 -13.86 -9.63
NZ-COZ 60 300.0 0.1730 -4.07 -23.49 -21 -68 -4.54 -11.03 -3.23 -2.95 -8.88 -4.24
N2-co2 60 600.0 0.6050 -7.74 -38.12 -23.09 -5.91 -13.81 -6.24 -2.70 -7.81 5.14
NZ-CO2 60 900.0 1.2170 -6.75 -43.49 -21.32 -7.31 -14.78 -7.30 0.77 -4.03 5.39
NZ-CO2 60 1200.0 1.9760 -4.98 -46.42 -19.13 -8.51 -14.97 -7.51 4.46 -0.13 3.85
NZ-WATER 50 307.6 0.2560 8.82 -18.31 -13.57 -12.50 3.73 11.18 -5.99 9.87 14.47
N2 -W AT ER 50 328.6 0.3030 3.21 -23.80 -1 7.86 -15.96 -0.97 6.14 -10.49 8.29 10.93
NZ-WATER 50 352.2 0.3590 -1.65 -28.63 -21.57 -18.34 -4.86 I .97 -14.34 7.46 7.86
NZ-NH3 27 295.1 0.2480 1.01 -20.29 -24.89 -18.53 3.91 11.23 -11.15 -21.68 -1.73
NZ-ET HVL t NE 31 291.2 0.1630 -8.46 -21.75 -19.44 -3.93 -8.30 -0.87 -2.83 -7.38 -6.30
NZ-ETHYL EN€ 7 298.0 0.1630 -4.68 -18.99 -16.06 0.30 -4.16 3.61 1.31 -3.40 -1.60
NZ-ETHANE 7 298.0 0.1480 -0.37 -16.98 -14.16 1.36 -7.80 5.19 0.50 -0.62 -3.41
NZ-N-BUTANE 7 298.0 0.0960 3.72 -11.31 -1 0.20 2.02 2.56 11.88 0.81 4.80 -7.06
N Z - I SOW T ANE 7 298.0 0.0905 10.03 -5.92 -4.74 9.15 6.30 15.96 5.97 11.91 -3.21
NZ-N-HEXANE 14 288.6 0.0757 -0.50 -13.09 -13.90 -4.34 -5.22 3.71 -7.24 0.66 -17.82
N2-2~3-OlMETHVL8UTANf. 14 288.7 0.0751 0.36 -12.35 -13.16 -2.83 -3.14 5.98 -4.92 3.42 -15.06
N2 -CY C L OH EX ANE 14 288.6 0.0760 0.79 -6.76 -7.56 0.93 -4.47 4.51 0.14 6.24 -R.28
NZ-MErHVLCVCLOPENTANE* 14 288.6 0.0760 0.79 -7.86 -8 - 6 5 0.48 -0.84 8.48 -1.08 5.81 -10.23
NZ-N-HE PT ANE 0 12 303.2 0.0740 2-06 -11.52 -11 - 5 6 -1.48 -2.98 6.25 -6.26 3.80 -16.75
,
NZ-2 4 0 1 METHVL PENT AN€* 12 303.1 0.0744 1.46
-3.25
-12.04
-15.79
-12.08
-16.18
-1.04
-6.95
-2.22
-18.16
7.08 -5.52 5.63 -16.38
NZ-N-OCT ANE 12 303.1 0.0726 -10.31 -13.13 -1.48 -23.82
N2-2,2,4-TRIMETHVLPENT.* 12 303.3 0.071 3 -1.38 -14.17 -1 4. 55 -3.73 -4 - 6 9 4.45 -8.88 3.83 -20.19
NZ-N-UECANE. 14 363.6 0.0841 1.88 -14.72 -11.27 0.56 -3.12 6.28 -8.43 6.19 -17.50
N2-2,3~3-1RlMElHVLHEPT-* 14 363.8 0.0684 25.39 4.94 P.20 24-17 19.22 30.79 12.70 30.69 1.55
NZ-N-OODECANE* 14 399.4 0.0813 12.69 -7.44 -1.64 12.50 9.92 20.67 -0.08 18.99 -9.92
NZ-BENZENE 26 311.3 0.1022 -1 6 2 -14.76 -13.47 -5.42 -7.12 1.56 -6.52 -3.07 -10.34
NZ-PYRIDINE* 26 317.9 0.1068 3.89 -13.62 -1 I. 83 -5.51 -9.72 -1.28 -7.94 -1.48 -9.94
NZ-PlPERlOINt* 26 514.9 0.0953 -1.94 -13.42 -12.07 -4.32 -4.96 3.99 -4.57 1.29 -0.91
NZ-1 H I OPHENEL 26 302.1 0.0992 5.61 -13.99 -13.63 -6.35 -8.17 0.47 -5.43 -8.95 -0.54
NZ-T ETRAHVOROT HlflPHENt* 26 318.5 0.0985 0.89 -12.31 -10.76 -2.15 -4.35 4.68 -2.55 -0.88 -4.91
02-WATER 50 308.1 0.2820 -0.79 -20.42 -16.19 -17.35 -4.47 2.58 -13.66 -4.70 9.17
02-HATER 50 ?29.0 0.3180 -1.31 -22.12 -16.47 -16.65 -3.93 3.16 -13.78 -0.99 10.94
02-W A T f R 50 352.4 0.3520 0.55 -22.01 -14.72 -13.96 -1.40 5.87 -11.79 5.01 15.31
02-N-HEXANE 14 288.6 0.0753 -3.15 -11.32 -12.28 -3.48 -8.6R 0.17 -10.13 -0.44 -18.21
02-2~3-OlMETHVL8UTAN€* 14 288.4 0.075? -3.27 -11.41 -12.38 -2.92 -7.92 1.01 -8.76 1.29 -16.89
02-CYCLOHEXANE 14 288.6 0.0 I 4 4 -0.2 7 -3.08 -4.05 3.56 -6.20 2.88 -1.20 6.80 -7.00
02-MET HVLCVCLOPENT AN€* 14 287.1 0.0742 -0.91 -k.75 -5.84 2.34 -3.58 5.75 - 3 . LO 5.65 -9.78
02-N-OCT ANE 14 303.1 0.0705 -3.96 -12.60 -13.10 -4.26 -19.72 -11.79 -14.33 -0.51 -22.95
02-2~214-1RIMETHVLPENT~* 14 303.0 0.0705 -4.01 -12.65 -1 3.15 -2.89 -8.18 0.89 -11.87 2.78 -20.84
02-BENZENE 26 311.3 0.1011 -3.46 -11.97 -13.79 -3.74 -9 - 3 3 -0.61 -8.48 -3.47 -9.73
02-PVRIOINE* 26 318.3 0.1050 2.84 -10.00 -8.75 -3.00 -11.23 -2.68 -9.lU -1.04 -8.52
02-PIPERIOlNE* 26 315.0 0.0953 -4.94 -11.79 -10.54 -3.78 -8.34 0.53 -7.73 -0.27 -9.47
02-THIOPHENE* 26 302.1 0.0975 4.31 -10.58 -10.34 -4.15 -9.99 -1.28 -6.78 -8.83 -7.29
02-TETRAHYOROTHIOPHENE. 26 318.5 0.09 83 -2. LO -10.*6 -9.01 -1.46 -7.74 1.23 -5.58 -2.31 -5.29
NE-AR 49 90.0 0.0360 7.90 -4.74 -29.69 -11.79 -0.28 7.64 11.76 5.55 -56.65
NE-AR 49 194.5 0.1530 -2.20 -28.79 -34.79 -8.20 -2.29 5.47 6.09 1.20 -23.30
NE-AR 49 273.0 0.2710 -0.06 -33.14 -32 + 68 -4.55 -0.18 7.76 10.64 6-00 -6.88
NE-AR 56 273.0 0.2760 -1.87 -34.35 -33.90 -6.27 -1.98 5.80 8.63 4.08 -8.56
NE-AR 56 288.0 0.3000 -0.87 -34.56 -33.11 -5.25 -1.09 6.77 10.10 5.56 -5.66
NE-AR 56 303.0 0.3270 -0.60 -35.21 -32.83 -4.99 -1.02 6.84 10.73 6.24 -3.63
Nt-AR 56 318.0 0.3570 -0.92 -36.20 -32.95 -5.33 -1.55 6-27 10.70
NE-AR 49 353.0 0.4140 2.57 -35.65 -30.37 -2.22 1.29 9.34 15.31 6.27
10.R6 -2.36
4.29
NE-AR 49 473.0 0.6710 5.61 -38.42 -27.60 -0.91 2.55 0.69 20.83 16.60 13.98
NE-KR 56 273.0 0.2230 -4.09 -34.33 -35.69 -6.92 -1.73 6.74 6.27 3.66 -10.34
NE-KR 56 288.0 0.2400 -2.14 -33.89 -34.27 -4.94 0.35 8.99 8.78 6.19 -6.57
NE-KR 56 303.0 0.2660 -3.50 -35.63 -35.09 -6.23 -1.76 6.70 7.59 5.10 -6.14
NE -K R 56 318.0 0.2840 -1.64 -35.17 -33.74 -4.44 0.11 8.73 9.98 7.50 -2.75
AH-KR 49 199.5 0.0720 -1.59 -22.16 -30.69 -19.97 -11.06 2.09 -1.48 -6.87 -22.80
AR-KR 49 273.0 0.1260 -2.64 -28.79 -30 78 -16.14 -7.78 1.52 -0.68 -5.73 -10.63
AR-KR 56 273.0 0.1190 3.09 -24.61 -26.71 -11.21 -2.35 1.50 5-16 -0.19 -5.38
AR-KR 56 288.0 0.1280 5.24 -24.05 -25.06 -8.68 0.33 0.45 7.71 2.30 -1.34
AI(-KR 56 303.0 0.1400 5.16 -25.07 -25.00 -8.16 0.91 1.09 7.96 2-60 0.43
AR-KR 56 318.0 0.1530 4.72 -26.28 -25.21 -8.04 0.96 1.15 7.81 2-53 1.66
AR-KR 49 353.0 0.1970 -2.37 -33.04 -30.05 -13.38 -5 e07 4.50 1.15 -3.68 -2.21
AR-KR 49 373.0 0.2160 -1.94 -33.66 -29.63 -12.62 -4.28 5.37 1.93 -2.87 -0.37
AR-KR 49 473.0 0.3270 -1.84 -37.43 -29.06 -11.53 -3.33 6.43 3.49 -1.07 4.35
AR-XE 2 194.7 0.0508 4.26 1.35 -11.48 -4.23 -4.10 5.86 7.68 3.28 -16.19
AR-XE 2 273.2 O.OY62 -0.40 -11.04 -14.58 -1.35 -2 - 7 8 7.33 4.98 1.14 -4.91
AR-XE 2 329.9 0.1366 -2.44 -16.87 -15.84 -0.45 -2.51 7.62 4.01 0.45 -0.36
AR-XE 2 37R.O 0.1 759 -3.06 -20.82 -16.73 -0.30 -2.74 7.36 3.33 -0.03 1.91
AR-CO 27 295.1 0.1880 2.66 -24.34 -22.63 -0.42 1.38 10.16 4.67 0.81 -4.07
AR-CO2 25 276.2 0.1326 1.16 -18.08 -18.69 -7.82 -8.35 0.26 3.12 -4.63 0.93
AR-COZ 25 31 7.2 0.1652 3.45 -19.07 -16.51 -3.69 -4.86 4.08 6.34 -1.48 8.55
AH-NH3 27 295.1 0.2320 5.43 -25.73 -23.33 -22.16 7.19 15.25 -6.06 -18.65 6.90
AR-N-HEXANE 14 288.6 0.0663 2-40 -10.83 -12.03 -9.28 -5.67 3.86 -4.33 4.35 -14.59
AR-ZI~-O~HETHVL~UTANE* 14 288.9 0.0657 3.53 -9.87 -11.06 -7.56 -3.40 6.36 -1.67 7.46 -12.08
AR-CYCLOHEXANE 14 288.7 0.0719 -3.82 -11.25 -12.38 -11.39 -1 1.87 -2.98 -4.02 2.10 -11.34
AR-METHVLCVCLOPENTANE+ 14 287.1 0.073 I -6.31 -14.46 -15.68 -14.11 -10.51 -1.48 -7.72 -0.98 -15.70
AR-N-HkPTANE* 12 303.2 0.0658 2.84 -11.11 -11.46 -8.36 -5.38 4.29 -5.45 5.43 -15.53
AR-~I~-O~METHVLPENTANE+ 12 303.2 0.0655 3.32 -10.70 -11.05 -6.88 -3.59 6.27 -3.67 8-43 -14.21
AR-N-OCTANE
AR-2~2~4-1Rl~ETHVLPENT.*
to-CO2
12
12
27
303.2
303.2
296.1
0.0587
0.0599
0.1520
6.75
4.61
4.91
-7.35
-9.21
-13.13
-8.05
-9.89
-11.40
-5.25
-5.64
7.90
-12.75
-
-2 3 4
-1.84
-3.75
7.73
6.77
-4.15
-3.31
5.69
9.66
11-08
-0.36
-15.56
-14.92
4.34
CO-NH3 27 295.1 0.2400 2.44 -24.56 -20.98 -14.31 6.50 13.99 -10.11 -20.37 -0.15
CO-SF6 27 296.8 0.0887 7.39 -5.67 -7.35 13.52 -0.73 8.92 12.96 14.19 0.82
C02-N20 1 194.0 0.0531 2.89 9.68 -1.51 -7.55 -11.32 -2.87 9.55 -1.52 -1.26
C02-N20 1 273.2 0.0989 -0.15 -2.20 -3.45 -1.54 -7.21 1.64 8.49 -2.04 13.78
COZ-NZO 6 287.3 0.1070 0.79 -2.51 -2.40 0.53 -5.40 3.67 9.84 -0.76 17.15
COZ-NZO 62 298.0 0.1170 -1.74 -5.82 -4.74 -1.22 -7.33 1.51 7.32 -2.9R 15.77
C02-N2O 1 312.8 0.1280 -2.23 -7.42 -5.08 -0.73 -7.06 1.80 7.10 -3.13 17.15
COZ -NZ 0 1 362.8 0.1683 -3.61 -12.05 -6.00 0.53 -7.42 1.40 6.53 -3.46 20.69
COZ-WATEH 50 307.5 0.2020 10.08 -7.13 -3.49 -16.34 -5.66 1.67 -4.34 -13.69 28.92
COZ-WATER 50 328.6 0.2110 18.36 -1.79 3-98 -8.36 3.10 11.11 3.27 -3.53 41.66
COZ-WATEI( 50 352.4 0.2450 15.21 -6.06 1.42 -9.16 1.45 9.33 0.94 -2.19 40.72
COZ-PROPANE 62 298.0 0.0863 6.96 -1.28 -0.15 -0.62 -8.16 0.60 3.52 0.74 6.49
COZ-ETHYLENEflXIOE* 62 L98.0 0.0918 15.09 17.53 18-87 11-07 -4.72 4.36 11-10 0.45 22.70
N2 0-PROP ANE 62 298.0 0.0860 -1.35 -2.58 -1.46 -5.06 -8.20 0.55 2.76 -0.36 5.17
N Z O - t T H Y L ENEOX I OE 62 298.0 0.0914 4.91 15.84 17.17 5.09 -4.93 4.13 10.31 -0.56 21.88
NH3-SF6 27 296.6 0. 1090 15.15 -2.05 -3.58 -8.98 1.35 9.86 5.88 -1.96 18.38
METHANE-Y ATEK 20 30 7.7 0.2920 -3.00 -16.99 -10.32 -21.62 -8.95 -3.41 -15.25 -10.76 11.52
METHANE-WATER 50 328.8 0.3310 -3.90 -19.11 -10.98 -21.01 -8.62 -3.06 -15.70 -H.IO 12.90
H€THANE-M ATEK 50 352.3 0. 3 5 6 0 0.83 -16.59 -5.41 -19.15 -9.27 7.62 -11.19 0.39 20.86
kTHYLENt-WATCW 50 307.8 0.2040 0.23 -10.05 -4.H1 -19.05 -7.21 -0.55 -6.68 -13.78 20.47
LlHYLENE-WATtR 50 32H.5 0.7330 -1.65 -13.17 -6.42 -19.12 -7.56 -0.32 -10.05 -r2.12 20.74
ETHYLENE-WAT E R 50 352.3 0.24 70 4.85 -9.03 -9.07 -12.17 -0.02 fa16 -3-70 -2.41 31.37
FREON1 2 *-WATER 34 238.2 0. I O 5 0 -0.53 13.26 12.33 -1.15 4.13 12.97 2.07 -4.53 25.57
FREON12*-8ENL E N € 34 298.2 0.0385 -I.76 7.91 5-64 -14.17 -14.13 -4.39 -5.13 -4.53 -11.06
FRtONl2*-tTHANUL 34 298.2 0.0415 6-62 22.57 20-73 -2.39 1.23 11.95 10.56 5.00 11.01
AIH-CL2 3 293.0 0. 1 2 4 0 0.08 -16.11 -16.04 -1.04 -6.50 7.23 1.80 -3.07 0.39
A IK-8H2 3 293.0 0.0910 0.03 1.20 -1.23 9.84 4.50 14.78 13.54 12.H9 13.33
A I R-CO2 25 276.2 0.1420 -3.48 -17.17 -17.21 3.88 -7.32 0.88 1.72 -4.97 -1.51
A IR-CO2 3 293.0 0.1650 -7.89 -22.12 -20.85 -3.06 -10.93 -3.06 -2.59 -8.92 - 3.84
AIR-CO2 25 3 1 7.2 0.1772 -1.45 -1M.31 -15.12 4.56 -4.30 4.17 4.72 -1.99 5.76
A I R-SO2 3 293.3 0.1220 0.03 -10.88 -13.52 -0.11 -0.35 8.86 5.72 -0.87 4.Rb
A IR-WAT E R 34 298.2 0.2600 -3.25 -22.36 -18.66 -17.46 -3.61 3.36 -17.10 -0.64 7.00
A IR-WAT ER 18 299.1 0.2580 -1.98 -21.40 -17.59 -lh-33 -7.17 4.90 -10.93 0.84 8.51
A I H-MAT EH 18 312.6 0.2770 -1.37 -21.78 -16.97 -15.07 -1.03 h.13 -10.14 4.11 10.81
A I R-WATER in 333.2 0.3050 0.16 -21.83 -15.52 -12.73 1.30 8.63 -0.40 9.74 14.90
A IR-NH3 27 295.1 0.2470 -3.18 -27.24 -23.89 -16.79 4.62 lZ.04 -10-44 -21.42 -0.09
AIR-METHAVE $3 LR9.0 0.2190 -8.8h -21.6.5 -18.41 0.32 -h.19 0.31 -2.67 -6.15 -5.26
A I R-MtT HANE 13 294.6 0.2240 -7.85 -21.16 -17.46 1-61 -4.93 1.66 -1.48 -4.98 -3.5?
AIR-BENZENE 34 298.2 0. 0 9 h 2 -6.96 -15.01 -14.80 -6.59 -10.11 -1.h5 -8.70 -5.49 -12.95
A I R- 8 t NZ ENE 2R 308.0 0.1021 -7.23 -15.95 -14.96 -6-32 -Y.76 -1.27 -8.80 -5.54 -12.21
AIR-TOLUENE 18 29Y. I 0.0860 -5.95 -15.09 -15.25 -7.21 -11.43 -2.98 -9.95 -3.79 -15.53
A IR-T OLUENE 18 312.6 0.0920 -5.02 -15.20 -14.30 -5.53 -9.R5 -1.26 -8.82 -7.S2 -13.69
AIR-1OLUtNE 18 333.2 0.1040 -6.06 -17.45 -15.07 -5.54 -10.15 -1.58 -9.47 -3.13 -12.88
A I H - C H L O H O ~ E N ZEN€. 18 299. 1 0.0740 8.13 -0.81 -1.61 6.74 7.00 11.85 3.42 8.51 -2.55
AIH-CHLOKO8ENLEY6. lfl 317.6 0.0700 9.42 -0.73 -0.31 Ha94 3.97 13.96 4.93 10.16 0. I 3
AIR-CHLOROBENZENE. 18 333.2 0.0900 7.39 -4.11 -1.96 8.15 3.01 12.96 3.38 8.63 0.30
AIR-ANILINE. 18 299.1 0.0740 14.94 1.37 1-10 6.06 6.88 17.08 10.34 11.22 1.37
AIR-ANILINE* LR 312.6 0.0790 16.32 1.41 2.44 8.31 9.03 19.44 11.95 12.91 10.33
A I R-AN IL 1 YE. 18 333.2 0.0900 14.17 -2.05 3.74 7.63 8.19 18.51 10.30 11.34 10.51
AIR-NITRORENZENE. 34 298.2 0.0655 -6.68 -17.91 -18.87 -14.96 -18.H4 -10.95 -11.42 -13.84 -21.88
A I R - 0 1 PHk NY L 18 490.3 0. 1600 -1.10 -23.62 -13.82 -7.70 -h.2R 2.92 -11.75 0.48 -17.94
A IR-ETHANOL 34 298.2 0.1350 -8.58 -20.50 -18.93 -13.95 -13.16 -5.43 -11.64 -16.46 -10.94
A I R-2-PROPANOL 18 299.1 0.0990 4.55 -7.96 -6.86 1.78 -0.H9 H.22 2.14 3.H7 -1.17
AIR-2-PROPANOL. 18 312.6 0.1070 4.51 -9.01 -6.78 2.52 -0.26 8.91 2-37 4.16 0.31
A I R-2-PROPANOL 18 333.2 0.1210 3 . 3 3 -11.46 -7.65 2.44 -0.47 8.hR 1.61 3.47 1.27
A I R-OUT ANOLe 18 299.1 0.0870 3.89 -7.77 -7.30 -3.40 -2.22 6.94 -1.02 6.28 -h.12
A I H-8JT ANDL 18 312.6 0.0920 6.13 -6.01 -5.17 2.61 0.45 9.67 1.39 8.93 -2.62
A I R-BU T ANOL I H 333.2 0.1040 4.98 -9.28 -6.02 2.65 0.24 0.64 0.68 0.25 -1.70
A IR-2-BUT ANOL 18 299.1 0.0890 1.56 -9.84 -9.38 -1-62 -3.86 5.15 -2.h7 6.07 -8.23
AIR-2-RUTANOL. 1A 312.6 0.0960 1.71 -10.69 -9.12 -0.67 -3.08 6.01 -2.26 6.58 -6.67
AIR-2-8UTANOL* 18 333.2 0.1080 1.09 -12.64 -9.50 -0.19 -2.72 6.40 -2.4M 6-42 -5.34
A I H-2-PtNTANOL 18 299.1 0.0710 14.77 2.07 2.02 11.18 9.17 lV.4Y 8.82 1H.22 0.12
AIR-2-PENTANOL. 18 312.6 0. 0 7 6 0 15.33 1-88 3.10 13.12 11.04 21.59 10.11 13-70 2.61
AIR-2-PENTANOL 18 333.2 0.0860 13.96 -0.92 2.07 13-01 10.70 21.22 9.22 18.83 3.47
A I R-ET HVL ACET ATE I8 299.1 0.0870 0.R5 -11.54 -11.58 -1.95 -2.Y5 6.28 -3.60 -1.30 -10.22
A 1 R - t l HYLACE I A T E 18 312.6 0.0940 0.H4 -12.53 -11.48 -1.70 -2.17 7.13 -3.36 -1.08 -8.85
A I K - E T H Y L ACE 1 A T E 18 333.2 0. l U b 0 -0.01 -14.64 -12.06 -1.02 -1.92 7.40 -3.H1 -1.45 - 7 . 76
AIK-HCYc 30 273.3 0.1730 - Y e 9 6 -21.22 -)0.35-15.77 -31.65 -76.11 -26.84 -37.15 -26.71
AIR-CY ANOGtNCHLOR 1DF. 30 277.0 0.1110 -2.75 -12.36 -13.hL -5.05 -16.27 -H.56 -1l.hB -13.69 -16.29
A IR-PHOSGENE 30 273.3 0.0950 -7.94 -15.06 -17.54 -6.88 -1?.hR -4.31 -8.65 -7.88 -15.58
AIR-CHLOHnPICR IN. 30 298.0 0. OHHO -6.32 -11.59 -19.26-10-74 -15.86 -7.57 -15.19 -9.00 -21.65
AVC.EKROK I P t R CENT1 4.32 21.11 16-57 10.67 6-38 6.76 5-86 14.02 13.89
STANOARO U f V l A l I f l N ( P k K CENT1 6.71 24-34 19.24 15-61 0.77 8.91 10.95 23.73 11.67