website

address : Imbacher Weg 46
D-51379 Leverkusen
GERMANY

phone : +49 (2171) 731680

Approval date : 28/8/2002

COSMOlogic is a small company for advanced physico-chemical property calculations founded in 1999 by Dr. Andreas Klamt based on his 12 years of industrial experience in computational chemistry in Bayer AG.

The special strength of COSMOlogic is the prediction of fluid phase properties. The COSMO-RS method invented by Andreas Klamt and the corresponding COSMOtherm program allow for the efficient prediction of the chemical potential of almost any molecular species in pure solvents and solvent mixtures using nothing else than quantum chemical calculations for solute and solvent molecules. By this method we can calculate a broad variety of physico-chemical properties, i.e. activity coefficients, solubilities, partition coefficients, vapour pressures, dissociation constants, etc. This can be done for complicated compounds, including almost all kinds of organic compounds, some kinds of inorganic compounds, and even ions, dimers, complexes, and other unusual molecular states, in pure solvents, solvent mixtures and even in complicated solvents like ionic liquids and amorphous polymers. Thus we can make physically well-founded property predictions in many situations where no other methods can be applied.

The reliability and robustness of COSMOtherm property predictions meanwhile has been proven by many academic and industrial users, including several of the largest chemical and pharmaceutical companies in the world. In addition an objective proof of the predictive capabilities of COSMOtherm has been our winning of the First Industrial Fluid Simulation Challenge organised by NIST and AIChE in November 2002.

COSMOlogic provides a suite of software and databases for COSMO-RS property prediction, as well as contract calculations, contract research, and consulting in this field. Our plan is to integrate COSMOtherm into chemical engineering simulators via a CO interface.