. 2020 Oct 21;5(43):28285–28295. doi: 10.1021/acsomega.0c04243

Table 9. Comparison between the Shear Viscosity of Liquid Sulfolane Calculated Using the Force Field Reported Here, η_thiswork (mPa·s), with That Reported in Experiments η_exp(mPa·s) in the Temperature Range T = (303–398) K, and at Pressure p = 1 bar^a.

temperature/K	η_thiswork^b^,^c	η_exp	Δη (%)
303	11.43 ± 0.15	10.284⁵⁴	10.02
323	6.53 ± 0.03	6.312⁵⁴	3.45
348	5.25 ± 0.03	3.846⁵⁴	36.50
373	2.05 ± 0.02	2.57⁵⁴	–20.23
398	1.59 ± 0.04	1.835⁵⁴	–13.35

Δη is calculated with respect to the experimental value.

The expanded uncertainty (U) is reported at 95% level of confidence.

The data follows the Vogel–Fulcher–Tammann (VTF) equation,⁶⁶ η = η₀ e^B/T–T_VF, where η₀ = 0.0026 mPa·s, B = 2554.6092 K, and T_VF = 0.0 K. Since, in the present case, the VTF equation reduces to the Arrhenius equation, the activation energy obtained from an Arrhenius fit is 21.24 kJ·mol^–1.

Table 9. Comparison between the Shear Viscosity of Liquid Sulfolane Calculated Using the Force Field Reported Here, ηthiswork (mPa·s), with That Reported in Experiments ηexp(mPa·s) in the Temperature Range T = (303–398) K, and at Pressure p = 1 bara.

Table 9. Comparison between the Shear Viscosity of Liquid Sulfolane Calculated Using the Force Field Reported Here, η_thiswork (mPa·s), with That Reported in Experiments η_exp(mPa·s) in the Temperature Range T = (303–398) K, and at Pressure p = 1 bar^a.