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. Author manuscript; available in PMC: 2022 Feb 25.
Published in final edited form as: Phys Chem Chem Phys. 2021 Feb 25;23(7):4426–4436. doi: 10.1039/d0cp06707e

Table 2.

The Debye relaxation parameters, εs, εi, ε, and τi, for pure (100%) methanol, ethanol, 1-propanol, 2-propanol, and water are compared to the reported values in Refs. 16, 19, 20, and 39. In the triple Debye models, the values for εs, ε2, and τ1 are set to the parameters reported in Ref. 16.

Model Solute Ref. ε ε s ε 2 ε 3 τ1 (ps) τ2 (ps) τ3 (fs)
Triple Debye Methanol This work 1.98 32.28 5.46 2.98 49.98 1.31 165
(16) 1.79 32.28 5.46 3.00 49.98 1.22 107
(20) 2.1 32.63 5.35 3.37 48 1.25 160
Ethanol This work 2.06 24.51 4.45 2.73 163.6 2.16 231
(16) 2.00 24.51 4.45 3.03 163.6 3.98 222
(19) 1.95 24.35 4.49 2.91 163 3.01 235
(20) 1.93 24.35 4.15 2.72 161 3.3 220
1-propanol This work 2.11 20.3 3.61 2.5 320.5 2.82 265
(16) 2.07 20.3 3.61 2.64 320.5 8.15 202
(20) 1.97 20.44 3.43 2.37 316 2.9 200
2-propanol This work 2.07 19.42 3.65 2.55 350.9 4.24 256
(16) 2.05 19.42 3.65 2.76 350.9 9.14 218
Double Debye Water This work 3.48 78.36 4.98 8.24 181
(16) 3.09 78.36 5.11 7.39 108
(19) 3.49 78.36 5.16 7.89 181
(20) 3.48 78.36 4.93 8.24 180
(39) 4.1 78.8 6.6 10.06 180
Methanol This work 2.12 29.3 4.52 12.09 252
(16) 1.9 31.7 3.24 13.96 135
Ethanol This work 2.10 21.78 4.99 29.71 288
(16) 1.98 24.5 2.75 19.23 155
1-propanol This work 2.12 17.8 2.5 44.09 319
(16) 2.04 20.40 2.49 35.79 138
2-propanol This work 2.09 16.87 4.66 35.87 276
(16) 2.01 19.43 2.53 28.45 139