Open source COSMO-based thermodynamics

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rpseng

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Nov 3, 2008, 5:07:45 PM11/3/08
to Open source Process Simulator, rpge...@yahoo.com.br
Hi all,

For those interested on open-source code and thermodynamics please
take a look at the JCOSMO project: http://code.google.com/p/jcosmo/

COSMO-based methods allow the calculation of liquid activity
coefficients based on information coming from quantum mechanic
calculations. These methods are (almost) totally predictive. More
specifically, JCOSMO is a COSMO-SAC implementation and comes with a
database with 1432 compounds.

If you have any question or just find it useful/interesting, please
post a comment on the project site.

With the best regards.

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