Table 4.
f | p fast | p slow | p CH2 | DTfast | DRfast | τ fast | DTslow | DRslow | τ slow | Γ CH2 | |
---|---|---|---|---|---|---|---|---|---|---|---|
RH | 0.040 ± 0.002 | 0.736 ± 0.002 | 0.123 ± 0.002 | 0.100 ± 0.002 | 2.5 ± 0.1 | 2.3 ± 0.2 | 1.8 ± 0.1 | 0.20 ± 0.02 | 1.10 ± 0.05 | 6.7 ± 0.3 | 0.39 ± 0.02 |
LH | 0.062 ± 0.003 | 0.715 ± 0.003 | 0.135 ± 0.003 | 0.088 ± 0.003 | 2.3 ± 0.2 | 2.3 ± 0.3 | 1.8 ± 0.5 | 0.16 ± 0.03 | 0.40 ± 0.03 | 9.7 ± 0.3 | 0.33 ± 0.05 |
Bulk water* | 2.5 | 2.3 | 0.9 | ||||||||
Bulk water** | 2.3 | 1.1 |
f is the fraction of immobile protons; pfast, pslow and pCH2 are respectively the fraction of free water population, of restricted water population and of protons not attributed to water. DTfast/slow, DRfast/slow and τfast/slow are the translational and rotational diffusion coefficients and residence times of free water (fast) and restricted water (slow). ΓCH2 is the line-width of the SCH2 (Q, ω) contribution. Units for DTfast, DTslow, DRfast, and DRslow are expressed in [10−5 cm2/s], while τfast and τlow are expressed in [ps] and ΓCH2 in [meV]. * = Diffusion coefficient of bulk water determined experimentally from a scan of pure water measured at 300 K on IN5 at the same energy resolution. ** = Diffusion coefficient of bulk water found in literature42,47 for T = 298 K. The associated errors were estimated using the Minuit minimization algorithm and the Minuit processor MINOS60.