Diffusion Adam-Gibbs relation

Correlation between diffusion and entropy Adam-Gibbs relation... 

Figure 10.3. Correlations between diffusion coefficient, configurational entropy, and tetrahedral order parameter (/h). Note that the left side of the y-axis represents the logarithm of diffusivity and the right side of ffie y-axis represents (th). The straight line fitting of the data validates the Adam-Gibbs relation between entropy and the diffusion coefficient, as discussed in the text The dashed line shows the correlation between (th) and configurational entropy. Adapted wifli permission from J. Phys. Chem. B, 114 (2010), 3633. Copyright (2010) American Chemical Society.

As discussed in Section II, the Adam-Gibbs [48] model of relaxation in cooled liquids relates the structural relaxation times x, associated with long wavelength relaxation processes (viscosity, translational diffusion, rates of diffusion-limited... 

The reversible step may be related to the dynamic crossover in protein hydration water at To 345 5K. NMR self-diffusion results [19] indicate that at this temperature a sudden change in hydration water dynamics occurs and the inverse diffusion constant switches from low-temperature super-Arrhenius behavior to high-temperature Arrhenius behavior. Neutron techniques (QENS) have also been used to study protein hydration water at this high-r crossover. Figure 21 shows the atomic MSD of protein hydration water at the low-r crossover measured using MD simulation. These crossovers can also be shown theoretically. Whenever the slope of an Arrhenius plot of the D T) changes, the specific heat has a peak. The well-known Adam-Gibbs equation (AGE) shows this as... 

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