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12 - Aeronautical, Mechanical, Chemical and Manufacturing Engineering
Imperial College London
A duality-based optimisation approach for the reliable solution of (P, T) phase equilibrium in volume-composition space
This general framework for the solution of phase equilibrium combines novel theoretical results and extensive algorithmic studies. One of two guaranteed approaches to solve multicomponent multiphase equilibria for SAFT-type equations, the solution strategy is fundamentally different to the original work (Xu et al, IECR, 2002). We have since shown that our rigorous approach can be turned into a reliable and practical algorithm (Pereira et al, Comp Chem Eng, 2012, doi:10.1016/j.compchemeng.2011.07.009). CSA's EPSRC Leadership Fellowship (EP/J003840/£1,278,003), a large Pfizer grant (Senior Research Fellow) and a collaboration with Argonne National Laboratory (Sven Leyffer) build on this track record in algorithm development.
