COSMO-RS is compared with a hybrid molecular dynamics and activity coefficient correlation method, for predicting vapor–liquid equilibrium (VLE). COSMO-RS produces the best results.
COSMO-RS predictions of vapor-liquid equilibria, phase behavior, and activity coefficients in mixtures are compared against experimental data for a wide range of compounds.
COSMO-RS predictions of aqueous solubilities of 19 PCDDs/ PCDFs were compared with experimental measurements and published data to estimate the accuracy of the COSMO-RS calculations.
COSMO-RS was used to predict the vapor liquid equilibria of problem sets 1a and 1b of the first industrial fluid property prediction challenge. Good quality predictions for both systems have been achieved.
A Group Contribution Solvation model model is used to predict infinite dilution activity coefficients and then compared with the MUNIFAC model and the COSMO-RS model. In addition to the good performance of the specially fitted method of the authors, this article shows good performance for the COSMOtherm predictions, while COSMO-SAC and UNIFAC have considerably larger errors.
Challenges in thermodynamics
W Arlt, O Spuhl, A Klamt - Chemical engineering and processing, 2004, vol. 43, No.3, p. 221-238
A review of COSMO-RS is presented as one of the latest developments in predicting and modelling thermophysical properties related to distillation and focusing on the use of quantum chemistry and powerful equations of state.
In this Anniversary article COSMO-RS is mentioned as an attractive new tool, overcoming many limitations of the traditional chemical engineering methods.
Reviews quantum-based methods for property prediction and includes discussions and comparisons on various methods, including COSMO-RS, using a simple hydrofluorocarbon refrigerant design example and a solvent design example.