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12 - Aeronautical, Mechanical, Chemical and Manufacturing Engineering
Imperial College London
A generalisation of the SAFT-gamma group contribution method for groups comprising multiple spherical segments
A general group contribution method is presented which is applicable in a predictive way and accurate for the entire thermodynamic range and type of fluid phase behavior. The generality and accuracy of the approach have attracted interest from industry, leading to funding from the pharma industry especially (eg., Pfizer ~ $1M; Senior Research Fellow), as group contribution methods are highly relevant for solubility prediction or solvent screening. This work was presented as the opening plenary lecture at the ESAT 2012 meeting in St Petersburg, a key conference in the area of Applied Thermodynamics.