Ab Initio Potentials and the Prediction of Fluid Phase Equilibria and Thermodynamic Properties


Traditionally, the prediction of both fluid phase equilibria and the thermodynamic properties of fluids [1] have relied on approximate theoretical models such as equations of state [2]. Equations of state have become... [ view full abstract ]


  1. Maryna Vlasiuk (Swinburne Univerisity of Technology)
  2. Richard Sadus (Swinburne University of Technology)

Topic Areas

Advances in molecular simulation , Challenges and advances in fluid phase equilibria


AMS-2 » Parallel Session - Advances in Molecular Simulation (10:30 - Thursday, 7th September, Pentland Suite)

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