Session: Fluids - 3
Parallel Session - Advances in Fluid Phase Equilibria

Chair

Felipe Blas

Time

09:00 - 10:40 on Friday, 8th of September 2017

Venue

Pentland Suite

09:00

Development of a molecular-based Equation of State for Nematic Liquid Crystals

Thijs van Westen (FOM institute AMOLF), Bernardo Oyarzun (Universite Libre de Bruxelles), Thijs Vlugt (TU Delft), Joachim Gross (University of Stuttgart, Institute of Thermodynamics and Thermal Process Engineering)
09:20

Extension of the SAFT-VR Mie EoS to model homonuclear rings: A revised expression for the Helmholtz energy and its parameterization based on the principle of corresponding states

Erich A Muller (Imperial College London), Andrés Mejía (Universidad de Concepción)
09:40

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

Spiros Kournopoulos (Imperial College London), Georgia Lazarou (Imperial College London), George Jackson (Imperial College London), Amparo Galindo (Imperial College London)
10:00

Coarse-grained SAFT-γ Mie model for the simulation of the fluid-phase behavior of aqueous solutions of polyethylene glycol

Tom Lindeboom (Imperial College London), Amparo Galindo (Imperial College London), George Jackson (Imperial College London)
10:20

Development of Continuous Wertheim-like Association Site Models Suitable for Molecular Dynamics Simulations

Karl Fairhurst (Imperial College London), Erich A Muller (Imperial College London), George Jackson (Imperial College London)