Fingerhut R.Chen W.-L.Schedemann A.Cordes W.Rarey J.Hsieh C.-M.Vrabec J.Lin S.-T.2019-05-092019-05-0920178885885https://scholars.lib.ntu.edu.tw/handle/123456789/406863Two recent and fully open source COSMO-SAC models are assessed for the first time on the basis of very large experimental data sets. The model performance of COSMO-SAC 2010 and COSMO-SAC-dsp (2013) is studied for vapor-liquid equilibrium (VLE) and infinite dilution activity coefficient (£^i¡Û) predictions, and it is benchmarked with respect to the group contribution models UNIFAC and mod. UNIFAC(DO). For this purpose, binary mixture combinations of 2295 components are investigated. This leads to 10897 £^i¡Û and 6940 VLE mixtures, which correspond to 29173 £^i¡Û and 139921 VLE data points. The model performance is analyzed in terms of chemical families. A MATLAB program is provided for the interested reader to study the models in detail. The comprehensive assessment shows that there is a clear improvement from COSMO-SAC 2010 to COSMO-SAC-dsp and from UNIFAC to mod. UNIFAC(DO). The mean absolute deviation of £^i¡Û predictions is reduced from 95% to 86% (COSMO-SAC 2010 to COSMO-SAC-dsp) and from 73% to 58% (UNIFAC to mod. UNIFAC(DO)). A combined mean absolute deviation is introduced to study the temperature, pressure, and vapor mole fraction errors of VLE predictions, and it is reduced from 4.77% to 4.63% (COSMO-SAC 2010 to COSMO-SAC-dsp) and from 4.47% to 3.51% (UNIFAC to mod. UNIFAC(DO)). Detailed error analyses show that the accuracy of COSMO-SAC models mainly depends on chemical family types, but not on the molecular size asymmetry or polarity. The present results may serve as a reference for the reliability of predictions with COSMO-SAC methods and provide direction for future developments. ? 2017 American Chemical Society.journal article10.1021/acs.iecr.7b013602-s2.0-85028929874https://www.scopus.com/inward/record.uri?eid=2-s2.0-85028929874&doi=10.1021%2facs.iecr.7b01360&partnerID=40&md5=617a3d388ecca82430664f4635e26ecb