Statistical thermodynamics inconsistency

With the exception of the clathrate framework model, all these hypotheses appear to be qualitatively consistent with the available X-ray diffraction data on liquid water. It is argued by some investigators, however, that there are still significant inconsistencies between the most sophisticated statistical thermodynamic models for liquid water and the most sophisticated X-ray and neutron diffraction measurements [734-736]. The interpretation of these data from different experiments, using the concept of pair-correlation functions, shows discrepancies that are considered significant in terms of the instrumental precision, and the definitive answer seems not yet available [737J. 

In thermodynamics, for a given energy a measure of departure from stable equilibrium is the adiabatic availability—the larger the availability, the greater the departure from stable equilibrium. This availability in turn is related to the value of the entropy of the system since the smaller the entropy, the larger the availability. In other words, common sense dictates that entropy is an inherent property of matter in the same sense that energy is an inherent property of matter. Hence, the inconsistency of statistical thermodynamics. 

For mixtures, only the dispersion part of the segment Flelmholtz energy requires the use of combining rules the composition dependence is built into the chain and association terms by the statistical thermodynamics. Gross and Sadowski presented a new parameterization of SAFT with constants for a wide range of substances that does not suffer from the numerical inconsistencies of the Huang-Radosz model. ... 

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