Author Archive: Rafael de Pelegrini Soares

COSMO-SAC-Phi is a new method for inclusion of pressure effects in COSMO-type activity coefficient models (like COSMO-RS, COSMO-SAC, or F-SAC). The extension consists in the direct combination of COSMO-SAC and lattice-fluid ideas by the inclusion of free volume in form of…
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With the aim of predicting mixture behavior based on information of pure components only, COSMO-based models have emerged as a promising alternative. Several works in the literature are available attesting the good performance of COSMO-RS variants in several different applications….
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COSMO‐based activity coefficient models have become an interesting alternative to the prediction of the behavior of substances in mixture. These models depend on the pure substance information known as sigma‐profile. The present work aims to create and freely distribute a…
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Development of reliable models for estimating the solubilities of hydrocarbon–water systems is a challenging task, specially for ill-defined hydrocarbons, such as oil and petroleum fractions. In this work, the F-SAC (Functional-Segment Activity Coefficient) model was used to predict the water…
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Here we have a word cloud for the titles of our recent published articles. This is a nice way to see what are the topics we are working on.  

The PC-SAFT parameters are commonly estimated using pure components experimental data of vapor pressure and liquid density. Although widely used, this methodology often requires binary interaction parameters for its application to mixtures. In this recent work, not only pure component…
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