Table 2. Mean Values of the Order Parameters for Bulk Water Molecules at 298 and 260 K, Together with Their Relative Change between 298 and 260 K (the Half-Width of the Student 95% Confidence Interval Calculated on Three Blocks Is Given in Parentheses).
bulk at 298 K | bulk at 260 K | relative change (%) | |
---|---|---|---|
asphericity η | 1.6624 (0.0014) | 1.7048 (0.0009) | +2.55 (0.14) |
density ρ (Å–3) | 0.03372 (0.00001) | 0.033639 (0.00004) | –0.26 (0.02) |
q | 0.6686 (0.0023) | 0.7297 (0.088) | +9.14 (1.35) |
Sk | 0.99900 (0.00001) | 0.999171 (0.000003) | +0.020 (0.001) |
LSI (Å2) | 0.0382 (0.0004) | 0.0509 (0.0003) | +33.5 (12.6) |
E (V Å–1) | 1.8290 (0.0014) | 1.9648 (0.0032) | +7.43 (0.86) |