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• W2014313267 abstract "The design and optimization of equipment in chemical industry (e.g. heat exchanger) and also process simulations require the knowledge of physical properties of mixtures, for instance the involved phase equilibria, enthalpies and the heat capacities. Most experimental data on these properties exists for pure compounds (e.g. water) and for binary mixtures (e.g. water ethanol). The database is however, very limited for mixtures of more than two species. Physically sound equations of state, like the Perturbed-Chain Statistical Associating Theory (PC-SAFT) have been used successfully to provide information about these thermodynamic properties for a wide variety of substances including systems of associating and non-associating or systems of associating and cross-associating species. One of the main challenges using this Wertheim-type equation of state is the mathematically implicit form of the underlying nonlinear system of equations, if association occurs. This article provides in depth information about our recently developed fast and stable algorithm to solve this system of equations numerically for multi-component systems, as well as a new method to find good initial values for the numerical algorithm. Furthermore, the numerical results are compared to experimental data on several properties of interest and found to be in good to excellent agreement." @default.
• W2014313267 created "2016-06-24" @default.
• W2014313267 creator A5017776540 @default.
• W2014313267 creator A5045045982 @default.
• W2014313267 date "2012-06-10" @default.
• W2014313267 modified "2023-09-30" @default.
• W2014313267 title "Cross-association of multi-component systems" @default.
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• W2014313267 doi "https://doi.org/10.1080/00268976.2012.668963" @default.
• W2014313267 hasPublicationYear "2012" @default.
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