(576d) Ab Initio Prediction of Thermodynamic Equlibria of Pharmaceutically Relevant Solutes in Organic Solvents : An Application of COSMO-SAC Formalism
AIChE Annual Meeting
Wednesday, November 6, 2013 - 4:10pm to 4:30pm
This is a temporary abstract.
This work will describe the structure or an industry-academia collaboration with the goal of improving ab intio models to estimate thermodynamic properties of pharmaceutically relevant entities in organic solvents.
Results from simulations will be presented from case studies and will be contextualized to the goals of process development
Additional information will be provided shortly.