COSMO-based models presentation at Texas A&M Qatar 2017
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.
Latest Posts
Predicting phase equilibrium for polymer solutions using COSMO-SAC
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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An open and extensible sigma‐profile database for COSMO‐based models
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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Prediction of water solubilities in hydrocarbons and oils using F-SAC coupled with SRK-EoS
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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What are the topics we are working on?
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.
Avoiding binary interaction parameters in the GC-PC-SAFT model
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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Including dispersive interactions in the F–SAC model
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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iiSE Web App
We are proud to make available a series of applications directly into your web browser. Currently the iiSE process simulator is available, a full featured process simulator for chemical, petrochemical, energy, steam, etc. Just register here and start running simulations directly within…
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