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We have now added a database containing 3000+ sigma profiles needed for COSMO-based phase equilibrium computations. For any new chemicals, we have the software to generate the necessary sigma profiles.
Having the sigma profiles, we can directly use AspenPlus to predict the VLE through their COSMO-sac option, convert the generated activity coefficient values to regress the UNIQUAC or NRTL model parameters and use them for VLE predictions from various software tools allowing phase equilibrium computations.
Here are some computed phase diagrams compared with available measured data.
To download a copy of document, click here
Interested to learn more about our software? Please contact us for more information.