Calculating thermodynamic properties from fluctuations at small scales.

  title={Calculating thermodynamic properties from fluctuations at small scales.},
  author={Sondre K Schnell and Xin Liu and J. Simon and Andr{\'e} Bardow and Dick Bedeaux and Thijs J. H. Vlugt and Signe Kjelstrup},
  journal={The journal of physical chemistry. B},
  volume={115 37},
We show how density and energy fluctuations of small nonperiodic systems embedded in a reservoir can be used to determine macroscopic thermodynamic properties like the enthalpy density and the thermodynamic correction factor. For mixtures, the same formalism leads to a very convenient method to obtain so-called total correlation function integrals, also often referred to as Kirkwood-Buff integrals. Using finite size scaling, the properties obtained for small systems can be extrapolated to the… CONTINUE READING
Recent Discussions
This paper has been referenced on Twitter 1 time over the past 90 days. VIEW TWEETS

From This Paper

Topics from this paper.


Publications citing this paper.
Showing 1-10 of 14 extracted citations

Similar Papers

Loading similar papers…