Research Article

Modified Lennard-Jones Potentials with a Reduced Temperature-Correction Parameter for Calculating Thermodynamic and Transport Properties: Noble Gases and Their Mixtures (He, Ne, Ar, Kr, and Xe)

Table 9

Deviations between experimental and predicted binary diffusion coefficients of noble gas mixtures.

CompoundNumber of pointsAverage RMSDr in (%) (K) Reference
Present studyL-JFuller

Helium-neon262.453.7710.650–1773[26]
71.043.098.31200–673[29]
15.201.3212.71000[130]
52.016.193.5265–295[131]
63.521.039.42298–973[36]
269.897.355.09200–1250[132]
205.274.9312.7297–1268[121]
114.010.68.99293[133]
142.815.297.79273–683[56]
Helium-argon292.352.727.0450–3273[26]
70.560.124.91200–673[29]
18.918.180.771000[130]
33.154.112.93276–346[134]
82.783.574.06298–498[135]
11.662.670.67298[136]
10.910.081.87298[137]
33.843.712.87287–418[138]
68.307.801.68298–1100[139]
11.212.220.17296[140]
10.581.631.11273[12]
11.692.750.01273[55]
25.424.924.23276–418[18]
41.372.842.7690–400[131]
142.632.502.65251–418[141]
175.015.083.39276–1100[142]
85.695.050.65298–993[31]
266.025.592.13200–1250[132]
219.668.796.62298–1272[121]
848.658.685.25118–4500[56]
Helium-krypton292.607.005.5150–3273[26]
72.445.186.12200–673[29]
10.888.400.341000[130]
414.217.018.6111–400[131]
82.047.404.22298–993[31]
265.122.863.41200–940[132]
215.3212.48.11307–1274[121]
43.484.026.69273–318[56]
Helium-xenon297.2113.15.3550–3273[26]
75.1311.84.80200–673[29]
111.017.52.851000[130]
46.2112.66.93169–400[131]
61.698.483.59298–778[38]
269.415.64.93200–940[132]
219.9616.36.65297–1270[121]
87.613.58.01273–394[56]
102.28.972.82220–400[143]
22.39.12.97273–315[144]

Average557*5.807.615.72

Neon-argon292.033.085.3850–3273[26]
71.642.832.25200–673[29]
13.386.841.171000[130]
42.603.143.3690–400[131]
80.763.612.50298–973[64]
55.421.664.0390–473[145]
42.771.722.10273–318[146]
261.863.761.51200–940[132]
205.897.294.91297–1274[121]
13.217.397.77293[147, 148]
193.153.253.52194–680[56]
55.470.791.06277–365[149]
Neon-krypton292.0610.46.9950–3273[26]
72.3110.48.25200–673[29]
10.5812.34.191000[130]
44.379.326.83111–400[131]
46.117.256.32273–318[146]
82.759.805.78298–973[65]
263.7313.08.44200–940[132]
205.729.455.31269–1270[121]
46.117.256.32273–318[56]
Neon-xenon295.4911.86.5050–3273[26]
74.8211.97.49200–673[29]
16.2213.33.791000[130]
44.0911.16.82169–400[131]
62.039.384.24298–773[38]
266.977.817.58200–940[132]
218.9615.59.15297–1270[121]
41.148.374.82273–318[56]
55.5912.69.16275–362[149]

Average335*4.158.185.73

Argon-krypton293.497.9110.050–3273[26]
72.376.024.28200–673[29]
10.088.050.371000[130]
10.337.030.26273[18]
42.264.425.99169–400[131]
88.605.2519.277–600[150]
94.017.893.39199–473[142]
55.858.915.25273–473[145]
43.853.692.98273–318[146]
81.878.823.42298–973[64]
112.234.792.89200–400[151]
269.3015.310.6200–940[132]
212.889.594.20300–1274[121]
133.517.893.37199–407[56]
Argon-xenon295.488.6211.550–3273[26]
72.466.396.68200–673[29]
17.9913.03.231000[130]
25.726.256.34195–378[18]
42.435.4310.6169–400[131]
43.166.256.88194–378[152]
61.866.413.16298–773[38]
265.579.954.59200–940[132]
214.187.515.35298–1272[121]
193.797.119.07173–1597[153]
133.936.965.83194–394[56]

Average279*4.488.427.16

Krypton-xenon294.467.0512.150–3273[26]
71.384.427.54200–673[29]
14.7010.54.631000[130]
41.383.2712.2169–400[131]
61.104.722.88298–773[38]
227.0011.17.52297–1270[121]

Average69*4.497.709.27

Overall1240**4.987.956.24

Number of data points for each mixture. **Total number of data points for all gas mixtures.