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 4

Deviations between experimental and calculated thermal conductivities of pure noble gases.

Compound	Number of points	Average RMSDr in λ (%)				Δ𝑇 (K)	Reference
		Present study	L-J	Simsci	Refprop
	64	7.77	10.7	2.94	3.52	70–1000	[56]
	8	2.61	5.16	0.78	1.03	298–1010	[31]
	8	2.33	4.40	1.68	1.32	298–973	[34]
	8	2.41	4.42	1.75	1.27	298–973	[36]
	27	5.04	7.95	1.09	1.81	275–725	[57]
	93	6.10	9.10	7.20	20.1	20–1000	[58]
	8	2.47	4.67	1.30	0.95	298–973	[59]
	4	10.2	13.5	4.98	4.16	303–363	[100]
	2	7.72	11.2	2.35	1.25	303	[101]
	25	3.66	6.21	1.41	4.52	50–973	[26]
	6	4.01	6.76	1.19	1.91	100–600	[29]
	11	4.95	7.65	1.44	1.95	100–600	[60]
Helium	29	6.90	9.60	2.50	2.80	80–1000	[102]
	102	6.80	9.50	4.70	12.5	20–1000	[103]
	14	0.41	0.64	0.24	0.31	350–1000	[104]
	6	7.94	11.0	3.37	3.18	303–589	[105]
	52	5.90	8.60	5.50	17.4	20–1000	[106]
	5	11.0	14.0	6.88	7.20	250–600	[62]
	1	5.40	8.76	0.09	1.04	596	[107]
	1	7.24	10.3	1.72	0.53	291	[108]
	4	10.4	13.6	5.11	4.19	308–363	[109]
	2	4.68	7.32	1.32	0.07	302–793	[110]
	1	6.33	9.56	0.92	0.09	311	[111]
	1	6.57	10.0	1.20	0.08	302	[112]
	13	2.16	4.39	1.06	0.29	373–973	[63]
Average	495*	5.90	8.59	3.94	9.47
	8	1.52	0.62	1.07	2.91	298–973	[64]
	8	2.50	1.16	0.66	3.87	298–973	[65]
	1	1.04	0.54	1.10	2.53	291	[47]
	8	2.74	1.41	0.66	4.11	298–973	[36]
	29	3.50	2.53	0.94	4.11	90–1300	[56]
	44	1.36	0.86	1.65	2.40	275–1275	[57]
	111	2.83	2.65	5.95	12.7	27–1000	[58]
	8	2.55	1.17	0.76	3.92	298–973	[59]
	4	1.67	3.25	2.10	0.84	303–363	[100]
	3	1.25	0.76	1.02	2.14	313–363	[113]
Neon	22	2.40	1.70	2.40	4.36	50–973	[26]
	6	1.81	1.34	1.09	3.25	100–600	[29]
	11	1.48	3.03	2.50	2.04	100–600	[60]
	15	2.92	1.63	0.53	4.01	273–1100	[102]
	111	2.17	2.35	1.59	4.48	27–1500	[114]
	24	2.92	1.41	1.01	5.94	350–1500	[104]
	4	1.39	2.96	1.50	0.37	303–318	[105]
	1	1.36	2.90	1.53	0.14	311	[115]
	1	0.20	1.39	0.32	1.73	296	[107]
	1	1.04	0.53	1.11	2.54	291	[108]
	2	5.86	4.27	4.28	7.50	302–793	[110]
Average	422*	2.41	2.08	2.63	6.20
	21	2.09	2.72	1.07	1.00	202–394	[90]
	3	2.15	3.97	0.48	5.08	90–273	[108]
	1	1.75	2.95	4.90	4.23	1373	[116]
	1	0.14	4.35	1.09	2.98	291	[47]
	9	1.06	5.27	0.53	1.24	298–1124	[31]
	8	1.21	5.11	0.49	1.17	298–973	[64]
	8	1.53	5.71	0.66	0.99	298–973	[65]
	8	1.48	5.66	0.77	1.09	298–973	[35]
	66	1.76	4.50	1.25	1.60	90–2000	[56]
	14	2.25	6.41	2.36	2.57	331–645	[117]
	97	1.74	4.98	0.80	0.99	280–1390	[57]
	122	2.55	6.17	1.26	5.23	87–3300	[58]
	235	2.10	5.97	1.02	2.20	80–2000	[92]
	63	2.74	3.09	3.08	5.05	90–500	[79]
	63	3.82	4.80	3.40	3.53	90–500	[93]
	8	1.36	5.50	0.54	1.10	298–973	[59]
	3	0.77	4.70	1.37	2.70	313–363	[113]
Argon	29	2.63	5.64	2.48	7.10	50–3273	[26]
	6	1.92	4.11	2.46	5.20	100–600	[29]
	11	1.65	3.37	1.39	3.07	100–600	[60]
	54	2.02	5.78	1.07	2.55	80–2000	[102]
	118	1.67	4.82	1.21	2.14	88–2500	[103]
	24	1.70	6.20	0.50	0.90	350–1500	[104]
	4	2.73	3.57	1.65	0.77	273–593	[105]
	4	0.49	4.15	0.68	2.20	308–363	[118]
	3	1.08	3.52	0.21	1.81	300–340	[119]
	8	0.79	4.42	1.20	2.51	295–420	[120]
	60	2.03	4.95	1.16	2.04	90–2000	[106]
	7	1.41	3.86	1.09	1.43	250–1000	[62]
	1	1.40	3.19	0.25	1.52	311	[115]
	1	1.14	3.41	0.06	1.93	296	[107]
	4	0.50	4.15	0.67	2.20	308–363	[109]
	2	3.10	7.10	2.40	2.70	302–793	[110]
	1	1.40	3.20	0.25	1.52	311	[111]
	22	1.46	4.21	0.84	3.31	87–1000	[29]
Average	1089*	2.11	5.22	1.31	2.82
Krypton	9	1.90	14.8	0.82	2.93	298–1149	[31]
	8	1.80	14.8	0.88	3.10	298–973	[64]
	8	1.65	15.1	1.24	3.44	298–973	[65]
	18	3.20	19.5	4.18	6.57	125–1300	[56]
	5	4.88	10.6	1.94	0.94	291–318	[57]
	101	2.33	14.0	1.71	3.19	119–1900	[58]
	6	3.12	13.4	2.25	3.45	100–600	[26]
	235	2.60	15.5	2.50	4.50	80–2000	[92]
	51	2.50	12.5	0.96	2.50	125–500	[93]
	8	1.75	14.9	1.10	3.28	298–973	[59]
	3	0.81	15.5	3.68	5.50	313–363	[113]
	27	3.50	14.6	2.70	7.74	50–2273	[26]
	10	4.62	10.8	2.46	0.64	150–600	[60]
	109	5.80	14.4	5.33	6.25	120–2000	[114]
	24	3.00	15.9	2.50	3.50	350–1500	[104]
	5	5.76	9.80	2.67	0.78	303–318	[105]
	4	4.24	11.3	1.35	1.06	308–363	[118]
	1	4.38	11.0	1.30	0.65	311	[115]
	1	4.16	10.9	1.17	0.81	291	[108]
	4	4.21	11.3	1.34	1.11	308–363	[109]
	2	4.06	17.4	5.03	6.98	302–793	[110]
Average	639*	3.22	14.7	2.70	4.35
	7	1.29	14.2	9.68	2.32	202–298	[90]
	8	3.28	14.2	2.65	1.43	298–973	[35]
	24	7.30	17.7	1.02	4.55	175–1300	[56]
	1	3.53	12.7	0.60	1.95	291	[57]
	1	3.36	12.6	0.77	1.78	291	[108]
	134	5.36	15.7	5.80	10.1	165–5000	[58]
	230	4.87	15.3	4.83	1.96	105–2000	[92]
	47	3.33	12.0	2.10	0.71	170–500	[93]
	8	3.29	14.2	2.64	1.43	298–973	[59]
	4	3.39	13.1	0.57	2.48	303–363	[100]
Xenon	3	8.35	17.6	4.75	7.55	313–363	[113]
	29	5.84	14.9	8.18	2.90	50–3273	[26]
	6	5.50	12.8	5.96	2.82	100–600	[29]
	9	1.46	11.2	3.60	0.92	200–600	[60]
	95	6.40	16.7	1.74	3.93	165–1500	[114]
	24	8.00	19.0	1.20	5.10	350–1500	[104]
	6	4.20	7.60	7.87	5.20	303–318	[105]
	67	5.64	16.1	5.97	10.2	165–5000	[106]
	2	9.00	19.0	3.90	7.01	302–793	[110]
	1	0.80	9.10	4.95	2.06	311	[111]
	1	7.30	16.3	3.43	6.00	302	[112]
Average	707*	5.26	15.4	4.39	4.76
Overall	3352**	3.59	9.28	2.78	4.93

∗Number of data points for each noble gas. ∗∗Total number of data points for all noble gases.