The central role of entropy in adiabatic ensembles and its application to phase transitions in the grand-isobaric adiabatic ensemble.

@article{Desgranges2020TheCR,
  title={The central role of entropy in adiabatic ensembles and its application to phase transitions in the grand-isobaric adiabatic ensemble.},
  author={Caroline Desgranges and Jerome Delhommelle},
  journal={The Journal of chemical physics},
  year={2020},
  volume={153 9},
  pages={
          094114
        }
}
Entropy has become increasingly central to characterize, understand, and even guide assembly, self-organization, and phase transition processes. In this work, we build on the analogous role of partition functions (or free energies) in isothermal ensembles and that of entropy in adiabatic ensembles. In particular, we show that the grand-isobaric adiabatic (μ, P, R) ensemble, or Ray ensemble, provides a direct route to determine the entropy. This allows us to follow the variations of entropy with… 
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