Chemical potential calculations of charged species using expanded ensemble simulations: A study to assess the approximations of recent developments in the SAFT-γ equation of state framework


Molecular simulation techniques form a powerful set of tools that can be used to assess the accuracy of fluid theories. Thermodynamic modelling of electrolyte solutions through statistical mechanics theories... [ view full abstract ]


  1. Spiros Kournopoulos (Imperial College London)
  2. Georgia Lazarou (Imperial College London)
  3. George Jackson (Imperial College London)
  4. Amparo Galindo (Imperial College London)

Topic Areas

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


Fluids - 3 » Parallel Session - Advances in Fluid Phase Equilibria (09:00 - Friday, 8th September, Pentland Suite)

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