Table 1. Main Parameters Obtained from the Above-Described Fitting Procedurea.
| water
content |
C |
bound water | τR | DT | τT | ||
|---|---|---|---|---|---|---|---|
| (wt %) | expected | from fit | (wt %) | (ps) | (10–5 cm2 s–1) | (ps) | |
| H2O | 100.0 | 0.00 | 0.00 | 0.00 | 0.94 | 2.15 | 1.74 |
| F-CMP3 | 22.0 | 55.1 | 94.3 | 19.8 | NA | NA | NA |
| 32.0 | 42.4 | 90.8 | 28.3 | NA | NA | NA | |
| 40.0 | 34.2 | 87.8 | 35.2 | 1.32 | 2.10 | 1.03 | |
| 46.0 | 22.1 | 55.9 | 21.6 | 1.32 | 1.81 | 1.34 | |
| 64.5 | 38.1 | 45.3 | 36.5 | 1.32 | 1.46 | 1.66 | |
| S-CMP3 | 16.0 | 55.4 | 90.9 | 13.2 | NA | NA | NA |
| 36.0 | 29.6 | 65.3 | 22.2 | 1.32 | 2.60 | 4.49 | |
| 47.5 | 20.7 | 56.4 | 28.9 | 1.30 | 1.76 | 4.11 | |
| 65.0 | 11.3 | 29.5 | 27.6 | 1.13 | 1.79 | 3.34 | |
| 68.5 | 9.8 | 26.5 | 28.7 | 1.14 | 1.89 | 3.14 | |
| S-CMP1 | 30.0 | 34.0 | 52.8 | 10.9 | 0.97 | 3.21 | 4.45 |
| D2O | 100.0 | 0.00 | 0.00 | 0.00 | 0.94 | 2.52 | 2.26 |
| F-CMP3 | 32.0 | 96.8 | 96.7 | 0.0 | NA | NA | NA |
| 48.0 | 93.9 | 97.2 | 33.1 | NA | NA | NA | |
| 65.0 | 88.4 | 94.6 | 49.8 | NA | NA | NA | |
| S-CMP3 | 33.0 | 95.1 | 98.2 | 23.8 | NA | NA | NA |
| 48.0 | 91.2 | 93.9 | 21.7 | NA | NA | NA | |
| 67.0 | 82.6 | 82.4 | 0.0 | NA | NA | NA | |
| S-CMP1 | 30.0 | 95.5 | 82.7 | 0.0 | NA | NA | NA |
a
The remaining fitting parameters can be found in the Supporting Information (Tables S4–S6). The amount of bound water is calculated from the experimental water content, the value of C from the fit, and the estimated neutron incoherent cross sections. The expected C value is inferred from the experimental water content and the estimated neutron incoherent cross sections with the assumption that in this case C is solely linked with the contribution of the CMP to the overall QENS spectra. The translational residence time and diffusion coefficients are extracted from the fits of the HWHM, obtained from fitting the QENS data, as a function of Q2, as shown in Figure 6.