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Hier finden Sie wissenschaftliche Publikationen aus den FraunhoferInstituten. Multicriteria optimization for parameterization of SAFTtype equations of state for water
 AIChE journal 64 (2018), Nr.1, S.226237 ISSN: 00011541 ISSN: 15475905 

 Englisch 
 Zeitschriftenaufsatz 
 Fraunhofer ITWM () 
Abstract
Finding appropriate parameter sets for a given equation of state (EoS) to describe different properties of a certain substance is an optimization problem with conflicting objectives. Such problem is commonly addressed by singlecriteria optimization in which the different objectives are lumped into a single goal function. We show how multicriteria optimization (MCO) can be beneficially used for parameterizing equations of state. The Pareto set, which comprises a set of optimal solutions of the MCO problem, is determined. As an example, the perturbedchain statistical associating fluid theory (PCSAFT) EoS is used and applied to the description of the thermodynamic properties of water, focusing on saturated liquid density and vapor pressure. Different options to describe the molecular nature of water by the PCSAFT EoS are studied and for all variants, the Pareto sets are determined, enabling a comprehensive assessment. When compared to literature models, Pareto optimization yields improved models.