Fluid Phase Equilibria 303 (2011) 80–84

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Fluid Phase Equilibria

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The Solubility of ammonia in ethanol between 277.35 K and 328.15 K

Liang-Jie Huang, Wei-Lan Xue ∗ , Zuo-Xiang Zeng
Institute of Chemical Engineering, East China University of Science and Technology, 200237 Shanghai, China

a r t i c l e i n f o a b s t r a c t

Article history: The solubility of ammonia in ethanol has been measured by a static vapor–liquid equilibrium method.
Received 24 August 2010 The total pressure ranges up to about 0.72 MPa. The temperature amounts to 277.35, 288.65, 298.15,
Received in revised form 7 January 2011 308.75, 318.25 and 328.15 K. The experimental results are used to determine Henry’s law constant. From
Accepted 11 January 2011
their variation with temperature, the average absolute relative deviation of the Henry’s law constant
Available online 19 January 2011
from appropriate smoothing equation is 4.42%.
© 2011 Elsevier B.V. All rights reserved.
Keywords:
Gas solubility
Ammonia
Ethanol

1. Introduction from 274.26 to 343.08 K [13]. In this work, a static-analytic method

The solubility of gases such as ammonia and sulfur dioxide in
aqueous as well as non-aqueous mixed solvents is useful for the
design of many separation processes and some reactors in which
the gas is a reactant or product. For example, the solubility of
ammonia (acting as a product) in alcohols is important for the reac-
tion of dialkyl carbonates synthesis from alcohols and urea [1]. It is
very difficult to predict such gas solubility by solution theory such
as Regular Solution Theory by cubic equation of state, so the exper-
imental data are required to develop a thermodynamic model to
describe the reaction system.
The solubility of ammonia in aqueous or organic salt-free and
salt containing solutions has been investigated in the literature
[2–8]. However, the experimental data on the vapor–liquid equi-
librium (VLE) of (ammonia + ethanol) were reported only at the
pressures (0.1090 MPa and 0.1013 MPa) and the temperatures
below 303.15 K in the open literature [9,10]. The present work aims
to contribute to filling that gap by mainly focusing on some higher
temperatures and pressures.
A static-analytic method is widely used in the measurement of
VLE. For example, this method has been used to obtain VLE data for
the methane–dimethylether and methane–diethylether systems
at three temperatures [11], CO2 in aqueous mixtures of 2-amino-
2-hydroxymethyl-1,3-propanediol and piperazine over a range of
temperature from 288.15 to 333.15 K [12], ethane water systems
∗ Corresponding author at: Institute of Chemical Engineering, East China Univer-
sity of Science and Technology, P.O.Box 368, 130 Meilong Road, 200237 Shanghai,
China. Tel.: +86 021 6425 3081.
E-mail address: wlxue@ecust.edu.cn (W.-L. Xue).
is used to determine the solubility of ammonia in liquid ethanol by
measurement of the T = 277.35, 288.65, 298.15, 308.75, 318.25 and
328.15 K and known liquid and vapor phase composition. The total
pressure ranged up to 0.72 MPa.
2. Experimental
2.1. Materials
Ammonia (mole fraction ≥ 0.9998) was from Shanghai JieMeng
Chemical Company Limited (China), and was used without fur-
ther purification. For the gas solubility measurements, ethanol
(mole fraction ≥ 0.998) from Shanghai Chemistry Reagent Com-
pany (China) was chromatographically pure grade.
2.2. Apparatus and procedures
The apparatus for the solubility measurements based on a static-
analytic method [11–15] in this work is shown in Fig. 1.
It consisted of an equilibrium cell (EC) (with a volume of
512 ± 1 cm3 ) made of TA6V titanium. The equilibrium cell was
placed in an air oven with a magnetic rod covered with titanium.
The air oven came with a temperature controller (Model: LKDC-
1020, Shanghai Lankai Instrument Co. Ltd., China) which allowed
temperature to be controlled in ±0.05 K. The temperature of the
equilibrium cell was measured by a 25-platinum resistance ther-
mometer (Model: WZPB-2, Shanghai Automation Instrument Co.
Ltd., China). The thermometer was calibrated on the ITS-90 scale
at the Shanghai Institute of Measurement and Testing Technology
(SIMT). The overall uncertainty of temperature measured is less
than ±15 mK. Pressure in the cell was measured with an absolute

0378-3812/$ – see front matter © 2011 Elsevier B.V. All rights reserved.
doi:10.1016/j.fluid.2011.01.006
 L.-J. Huang et al. / Fluid Phase Equilibria 303 (2011) 80–84 81

Table 2
I I Critical temperatures and pressures, molecular dipole moments, mean radii of gyra-
tion of the pure components, and association parameters.
H
A
H H H i Tc,i /K Pc,i /MPa i /10−30 Cm Ri /10−10 m

C2 H5 OH (1) 516.2 63.0 5.64 2.2495

NH3 (2) 405.6 111.3 4.90 0.8533

G ij C2 H5 OH NH3

B D
C2 H5 OH 1.60 0
NH3 0 0
J
C
F Table 3
Values for Bij between 277.35 and 328.15 K.
E
T/K B12 /cm3 mol−1 T/K B12 /cm3 mol−1

Fig. 1. Schematic diagram of the solubility apparatus: (A) platinum resistance ther- 277.35 −383.9720 308.75 −290.7765
mometer, (B) equilibrium cell, (C) magnetic stirrer, (D) thermostated gas cylinder, (E) 288.65 −346.3670 318.25 −268.5734
air oven, (F) temperature controller, (G) gas chromatograph, (H) valve, (I) pressure 298.15 −318.4824 328.15 −247.7167
transducer and (J) ammonia cylinder.

Table 4
pressure transducer (Model: PM10; range: 0.01–60 MPa; accuracy: Solubility of ammonia in water.
0.15%; F.S. Shanghai Automation Instrument Co. Ltd., China). This
pressure transducer was calibrated at the Shanghai Institute of T/K Pexp /MPa x2exp Plit /MPa x2lit

Measurement and Testing Technology (SIMT). The overall uncer- 293.15 0.012 0.1192 0.0121 0.1052
tainty of pressure measured is less than ±0.001 MPa. 293.15 0.034 0.2193 0.0307 0.2096
293.15 0.070 0.3067 0.0718 0.3124
A gas chromatograph (GC-2000II, Shanghai Institute of Calcula-
293.15 0.108 0.3695 0.1060 0.3643
tion Technology, China), equipped with a capillary column (Alltech, 293.15 0.151 0.4282 0.1488 0.4131
type Heliflex AT-Q 30 m, 0.0032 m i.d.) and a thermal conductiv- 313.15 0.033 0.1194 0.0319 0.1052
ity detector (TCD). The gas chromatograph is connected to vapor 313.15 0.080 0.2166 0.0766 0.2092
sampling valve online. It was calibrated with mixtures of known 313.15 0.156 0.3139 0.1614 0.3120
313.15 0.229 0.3705 0.2244 0.3638
composition. In order to ensure repeatability, the experimental 313.15 0.315 0.4228 0.3043 0.4126
data are measured three times for each sample. Considering the
margin of error and reproducibility of GC, an overall uncertainty on
vapor mole fractions yi is estimated to be less than 3%. 3. Results and discussion
The gas was introduced into the cell from a thermostated
gas cylinder (TGC) with an internal volume of 1553 ± 1 cm3 by The mole number (nTGC0 and nTGC ) of ammonia in the ther-
drainage which has a valve connected to the ammonia cylinder. mostated gas cylinder under different pressures (P0 and P) are
This thermostated gas cylinder was equipped with another abso- obtained from the PVT measurement:
lute pressure transducer (PM10). 20 VTGC
The experimental process is as follows. First a mass of degassed nTGC0 = (1)
M2
ethanol (40 g ± 0.001 g) was prepared by gravimetric method using
2 VTGC
an electronic analytical balance (Model: JA2603B, Shanghai Pre- nTGC = (2)
cision Scientific Instrument Co. Ltd., China) with a precision of M2
0.001 g. Then, the degassed ethanol was then transferred under where VTGC /(cm3 ) is the volume of the thermostated gas cylinder,
vacuum into the variable volume press and subsequently, with M2 is the relative molar mass of ammonia, and 20 /(g cm−3 ) and
the piston, in the equilibrium cell previously brought to vacuum. 2 /(g cm−3 ) are the density of ammonia which can be obtained from
The equilibrium cell was heated to the wanted temperature and the software package [17] in different temperature and pressure.
ethanol was agitated. The vapor pressure of ethanol was measured. The mole number (nECi ) of component (ethanol (1) and ammonia
Ammonia was then introduced to the thermostated gas cylinder (2)) in the vapor phase of equilibrium cell is obtained from the PVT
and the pressure (P0 ) was measured. The equilibrium cell and the measurement:
thermostated gas cylinder were connected with the valve, and the
VEC − V 
pressure (P) was monitored. When the relative pressure in the equi- nECi = yi , i = 1, 2 (3)
V
librium cell varied less than 0.5%, the system was deemed to have
n1 M1
reached equilibrium. The compositions of samples were measured V ≈ (4)
and immediately injected into GC, which was connected online to 1
vapor sampling devices. where yi is the mole fraction of component i in the vapor phase,
To check the validity of the experimental equipment, the solu- VEC /(cm3 ) and V /(cm3 ) are the volume of the equilibrium cell and
bility of ammonia in water was made at 293.15 and 313.15 K and the liquid in the equilibrium cell, respectively, V/(cm3 mol−1 ) is the
compared with literature values [16]. molar volume of the vapor in the equilibrium cell, M1 is the relative

Table 1
The coefficients of Eq. (7).

i ai /cm3 mol−1 bi /K cm3 mol−1 ci /K2 cm3 mol−1 di /K3 cm3 mol−1

C2 H5 OH (1) 9.6838 × 103 −1.3575 × 107 6.3248 × 109 −1.0114 × 1012

NH3 (2) 1.5198 × 102 −2.0281 × 105 8.1489 × 107 −1.7248 × 1010
82 L.-J. Huang et al. / Fluid Phase Equilibria 303 (2011) 80–84

0.35 V is calculated from a truncated virial equation of state [19]

PV P
0.30 z= =1+B (5)
RT RT

0.25
where

B = y1 2 B11 + 2y1 y2 B12 + y2 2 B22 (6)

0.20
The pure component second virial coefficients (B11 , B22 ) are
P/Mpa

0.15
adopted from Dymond et al. [20]

bi ci di
Bii (cm3 mol−1 ) = ai + + + (7)
0.10 T/K 2 3
(T/K) (T/K)

0.05 The coefficients of Eq. (7) for ethanol and ammonia are listed in
Table 1.
The cross second virial coefficient B12 is calculated as proposed
0.00
0.10 0.15 0.20 0.25 0.30 0.35 0.40 0.45 by Hayden and O’Connell [19]. Critical temperatures and pres-
x2 sures (Tc,i /K, Pc,i /MPa), molecular dipole moments (i /10−30 cm),
and mean radii of gyration (R i /10−10 m) of the pure components,
Fig. 2. Partial pressure P above ammonia plotted against the mole fraction of as well as association parameters (ij ), are taken from Refs. [19,21],
ammonia in the water: (䊉, = 313.15 K; , T = 293.15 K) experimental results, and listed in Table 2. Based on the above data, the values of Bij (at
(, T = 313.15 K; , T = 293.15 K) reference values. several temperatures) are calculated and listed in Table 3.
The mole fraction of ammonia in the liquid phase x2 can then be
calculated according to
molar mass of ethanol, n1 /mol is the mole number of total ethanol, nTGC0 − nEC2 − nTGC
and 1 /(g cm−3 ) is the density of ethanol which can be obtained x2 = (8)
(nTGC0 − nEC2 − nTGC ) + n1 − nEC1
from the reference [18] in different temperatures.
It is assumed that the volume of liquid phase does not change by So the resulting overall experimental uncertainty for the mole
ammonia dissolving and the maximum uncertainty of V is 10 cm3 . fraction of ammonia in the liquid phase x2 is estimated to 3% at the
So the estimated uncertainty of nEC is less than 2.2%. upmost.

1.0 1.3

0.8 T=277.35K T=308.75K

1.2
0.6
1.1
H'

H'

0.4

1.0
0.2

0.0 0.9
0.0 0.2 0.4 0.6 0.8 0.0 0.2 0.4 0.6 0.8
x2 x2
2.0
1.2
T=288.65K T=318.25K
1.9
1.0
1.8
0.8
H'
H'

1.7
0.6

0.4 1.6

0.2 1.5
0.0 0.2 0.4 0.6 0.8 0.0 0.2 0.4 0.6 0.8
x2 x2

1.2 2.4

T=328.15K
1.0 2.3
T=298.15K
0.8
2.2
H'

H'

0.6
2.1

0.4
2.0
0.0 0.2 0.4 0.6 0.8 0.0 0.2 0.4 0.6 0.8
x2 x2

Fig. 3. Logarithms of H as a function of x2 : () the values of H .

 L.-J. Huang et al. / Fluid Phase Equilibria 303 (2011) 80–84 83

Table 5 Table 6
Vapor pressure of pure ethanol. Values for the total pressure (P), mole fraction of ammonia in the liquid phase (x2 )
and vapor phase (y2 ), Henry’s law constant (H) and H (Eq. (13)) between 277.35 and
T/K Pexp /MPa Plit /MPa 100 P/Pa 328.15 K.
277.35 0.00212 0.00213 0.47
P/MPa x2 y2 H /MPa H/MPa
288.65 0.00439 0.00446 1.59
298.15 0.00790 0.00789 −0.10 T = 277.35 K
308.75 0.01389 0.01420 2.23 0.013 0.0367 0.8430 0.2982 0.3021
318.25 0.02312 0.02317 0.22 0.034 0.1068 0.9441 0.2992
328.15 0.03731 0.03728 −0.10 0.057 0.1810 0.9693 0.3028
0.078 0.2451 0.9793 0.3082
a
100P/P = 100(Plit − Pexp )/Pexp , where Plit is the data reported in literature and
0.105 0.3054 0.9858 0.3339
Pexp is the experimental value.
0.167 0.3593 0.9916 0.4501
0.212 0.4050 0.9938 0.5047
The solubility can be expressed in terms of the Henry’s law con- 0.250 0.4462 0.9951 0.5038
0.295 0.4889 0.9961 0.5763
stant defined as [22] 0.330 0.5162 0.9967 0.6079
f2 (P, T, x2 ) 0.362 0.5398 0.9971 0.6351
H2,1 (P, T ) = lim (9) 0.388 0.5563 0.9974 0.6583
x2 →0 x2
T = 288.65 K
where f2 (P,T, x2 ) is the fugacity of ammonia and x2 is the mole 0.015 0.0285 0.7201 0.3804 0.3910
fraction in the liquid phase. At equilibrium, the fugacity of each 0.031 0.0691 0.8700 0.3899
component in the liquid phase equals to that in the vapor phase, so 0.059 0.1381 0.9366 0.3985
0.074 0.1769 0.9516 0.3960
give [23]
0.095 0.2334 0.9648 0.3902
liq vap 0.157 0.2893 0.9801 0.5259
f2 (P, T, x2 ) = f2 (P, T, y2 ) = 2 (P, T, y2 ) y2 P (10)
0.209 0.3401 0.9861 0.5969
where ˚2 (P,T,y2 ) is the fugacity coefficient of ammonia in the vapor 0.260 0.3898 0.9896 0.6480
0.307 0.4346 0.9918 0.6854
phase.
0.347 0.4688 0.9931 0.7171
Based on Eqs. (6) and (7), ˚2 (P,T,y2 ) is calculated by the follow- 0.383 0.4967 0.9941 1.1550
ing equation 0.419 0.5243 0.9949 1.1492

P T = 298.15 K
ln 2 (P, T, y2 ) = [2(y1 B12 + y2 B22 ) − B] (11) 0.019 0.0214 0.5869 0.5222 0.5309
RT
0.033 0.0491 0.7682 0.5162
For low concentrations of the solute in cell, it holds that 0.062 0.1016 0.8829 0.5357
0.084 0.1440 0.9174 0.5307
f2 (P, T, y2 ) 2 (P, T, y2 )
H2,1 (P, T ) = lim = lim Py2 = lim H  (12) 0.103 0.1734 0.9348 0.5495
x2 →0 x2 x2 →0 x2 x2 →0 0.208 0.2819 0.9715 0.7013
0.298 0.3668 0.9823 0.7733
where 0.375 0.4284 0.9871 0.8305
2 (P, T, y2 )y2 P 0.449 0.4784 0.9901 0.8862
H = (13) 0.505 0.5132 0.9917 0.9251
x2
0.549 0.5392 0.9927 0.9537
The solubility of ammonia in water are determined at 293.15 K 0.583 0.5605 0.9934 0.9715
and 313.15 K, the experimental data are given in Table 4 and shown T = 308.75 K
in Fig. 2. The average absolute relative deviation between the exper- 0.032 0.0180 0.5677 1.0086 1.0107
imental data and the literature ones [16] is 3.13%. We also list the 0.061 0.0469 0.7787 1.0094
data of vapor pressure of pure ethanol in Table 5 and carry out a 0.093 0.0780 0.8589 1.0168
0.122 0.1085 0.8957 0.9969
comparison with literature data [24].
0.228 0.2076 0.9497 1.0218
Vapor–liquid equilibrium (VLE) of (ammonia + ethanol) was 0.312 0.2911 0.9668 1.0072
investigated within the temperature range of 277.35–328.15 K. The 0.390 0.3577 0.9757 1.0265
solubility of ammonia in ethanol is listed in Table 6, where the 0.463 0.4085 0.9810 1.0631
0.537 0.4539 0.9847 1.1089
corresponding composition of ammonia in the vapor phase y2 is
0.581 0.4788 0.9865 1.1349
also listed. The absolute temperature amounts to 277.35, 288.65, 0.618 0.4983 0.9877 1.1574
298.15, 308.75, 318.25 and 328.15 K and the total pressure ranges 0.656 0.5191 0.9888 1.1765
up to about 0.39, 0.42, 0.58, 0.66, 0.68 and 0.72 MPa, resulting in a
T = 318.25 K
maximum mole fraction of ammonia in the liquid x2 of 0.56, 0.52, 0.062 0.0221 0.6298 1.7665 1.7357
0.56, 0.52, 0.34 and 0.30. The uncertainties of mole fraction mea- 0.129 0.0596 0.8264 1.7740
surements for ammonia are estimated to be less than 3% for two 0.220 0.1109 0.9003 1.7565
phases. 0.315 0.1653 0.9328 1.7340
0.404 0.2259 0.9516 1.6476
Liu and Zhang [9] and Stephen et al. [10] reported several 0.488 0.2665 0.9613 1.6923
data points on the vapor–liquid equilibrium (VLE) of (ammo- 0.559 0.2969 0.9671 1.7403
nia + ethanol) at the pressures of 0.1090 MPa and 0.1013 MPa, 0.610 0.3181 0.9705 1.7741
respectively. For example, the value of x2 (293.15 K, 0.1090 MPa) 0.645 0.3322 0.9724 1.7983
0.679 0.3447 0.9741 1.8186
is 0.2357 [9], and the deviation between the data and the one in
this work is 15.4%; the value of x2 (288.15 K, 0.1013 MPa) is 0.2879 T = 328.15 K
[10], and the deviation between the data and the one in this work 0.069 0.0143 0.4580 2.2075 2.1869
0.140 0.0467 0.7379 2.1997
is 17.2%. 0.243 0.0950 0.8537 2.1509
Based on Eqs. (9)–(13), the value of H is obtained and listed in 0.338 0.1336 0.8974 2.2193
Table 6. Fig. 3 shows the variation of H with x2 . The results show 0.417 0.1701 0.9192 2.1892
that the value of H varies less than 2.1% in the pressure range when 0.484 0.2019 0.9321 2.1598
0.533 0.2221 0.9393 2.1707
the mole fraction of ammonia x2 is less than 0.25, so P and x2 can
84 L.-J. Huang et al. / Fluid Phase Equilibria 303 (2011) 80–84

Table 6 (Continued) Fig. 4 shows the variation of ln H2,1 (T) with the inverse of tem-
P/MPa x2 y2 H /MPa H/MPa perature. It is seen from Fig. 4 that the increase of the Henry’s law
constant with temperature for ammonia corresponds to a decrease
0.572 0.2359 0.9441 2.1983
0.627 0.2641 0.9503 2.1577 of the solubility of this solute.
0.716 0.3006 0.9579 2.1678
4. Conclusions

16
The vapor–liquid equilibrium (VLE) of (ammonia + ethanol) is
investigated between 277.35 and 328.15 K and the total pressure
range of about 0.01–0.72 MPa. Virial equation of state is applied to
15
calculate the solubility of ammonia in liquid phase and the fugac-
ity coefficient of ammonia in the vapor phase. The data are used to
determine Henry’s law constant as well as its variation with tem-
14
perature. The results confirm the validity of Henry’s law in the given
ln(H21 /Pa)

solubility range. The relationship between Henry’s law constant

and temperature can be described by the following equation with
13
a statistical error of 4.42%.
596.08611 × 103 /K
ln(H2,1 (T )/Pa) = −625.19075 +
12 T /K

183.75059 × 106 /K 2 18.71824 × 109 /K 3

− 2 2
+
T /K T 3 /K 3
11
3.0 3.1 3.2 3.3 3.4 3.5 3.6 3.7
× (277.35/K ≤ T ≤ 328.15/K)
1000/(T/K)

Fig. 4. Logarithms of Henry’s law constant as a function of the inverse temperature:

() ammonia, experimental results, this work; —, correlation results using Eq. (14). References

Table 7 [1] Ryu, J. Yong, Gelbein, P. Abraham, U.S. Patent 7314947, 2008.
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[3] R. Sing, B. Rumpf, G. Maurer, Ind. Eng. Chem. Res. 38 (1999) 2098–2109.
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1653–1659.
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[5] D. Schafer, M. Vogt, A.P.S. Kamps, G. Maurer, Fluid Phase Equilib. 261 (2007)
288.65 0.3647 0.3910 6.7374 306–312.
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308.75 1.0277 1.0107 1.6820 5112–5118.
318.25 1.6295 1.7357 6.1181 [7] Y. Feng, R. Xie, Z. Wu, K.N. Marsh, J. Chem. Eng. Data 44 (1999) 401–404.
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3
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B1 = 596.08611 × 103 K, B2 = −183.7506 × 106 K2 and [19] J.G. Hayden, J.P. O’Connell, Ind. Eng. Chem. Process Des. Dev. 14 (1975) 209–216.
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  ed., McGraw-Hill, New York, 1986, Appendix A.
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