(574g) Understanding the Role of Intermolecular Forces in Molecular-Based Equations of State: 20 Years of the Soft-SAFT Equation
This talk will first provide an overview on how having the right physics with the adequate level of approximations has made soft-SAFT one of the most accurate, yet simple, versions of SAFT, twenty years after the first paper on soft-SAFT was published. In addition, the built in theory in the equation allows its extension to calculate different properties of the systems, delivering a global equation for the characterization of thermophysical properties. Today, soft-SAFT is a robust tool for calculating critical, phase, interfacial, transport and thermodynamic derivatives properties of associating fluids and polymers. Examples on the relationship between the intermolecular forces description in the equation and the performance of the equation will be provided, including systems such as ionic liquids, aqueous solutions and deep eutectic solvents, highlighting the robutness of the equation. We will also tackle some of remaining challenges and the opportunities on moving SAFT from academia to industry and backwards.
However, there are still remaining challenges and opportunities for developments before soft-SAFT (as any SAFT equation) can be truly considered a standard tool in industrial process development and design and these will also be addressed in this presentation.
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