Highlights with ‘logP’

COSMO-SAC-2013: Improved thermodynamic properties predictions

19 May 2014

Xiong, Sandler, and Burnett (Chemical Engineering, University of Delaware) recently reported a new COSMO-SAC-2013 model, with parameters also available for the COSMO-RS implementation in ADF. With a single set of universal parameters, COSMO-SAC-2013 provides higher accuracy than previous...

logKow: assessing bioaccumulation of flame retardants

23 November 2011

Brominated benzylpolystyrene (BrBPS) are used as flame retardants. Since BrBPS are used in so many different applications, their environmental fate is of great interest. In particular, relevant properties for a risk assessment are the bioaccumulation rate, toxicity potential...