The virtual laboratory for properties prediction
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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Although very successful, activity coefficient models based on the COSMO-RS theory, like COSMO-SAC and F-SAC, can represent incompressible liquids only. In this presentation the COSMO-SAC-Phi method is addressed, showing how pressure effects can be included in any of these models by the…
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Here you will find a presentation covering the basics of COSMO-based models (COSMO-RS, COSMO-SAC, and F-SAC) sponsored by Texas A&M Qatar and Oryx GTL.
Here we have a 2013 presentation for the current status of the F-SAC model. A FORTRAN demonstration code, along with parameter tables, is also freely available here.
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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The recently introduced F–SAC (Functional–Segment Activity Coefficient) model combines the group contribution idea with a COSMO-RS surface contacting theory. This model has a reduced dependency on binary interaction parameters when compared to classical UNIFAC type models and improved accuracy when…
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