Abstract
The performance of the COSMO-SAC-dsp model combining with the Peng-Robinson (PR) equation-of-state (EoS) via several mixing rules is assessed for vapor-liquid equilibrium (VLE) predictions of refrigerants. In particular, the original Huron-Vidal (HVO), the modified Huron-Vidal (MHV1) and the Wong-Sandler (WS) mixing rules are applied. Binary mixture combinations of 51 refrigerants with diverse molecule types are investigated. 447 valid experimental VLE datasets for 233 refrigerant pairs are collected from NIST and by an exhaustive literature search. The results show that the combination of the COSMO-SAC-dsp with the PR yields satisfied and comparable prediction accuracy on VLE in most cases comparing to that from two well established EOS-G ex methods VTPR and PSRK. However, large errors could appear between chlorinated hydrocarbons + hydrocarbons and florinated hydrocarbons + chlorinated hydrocarbons. Moreover, errors become more significant and the VLE calculation cannot converge at all for NH 3 and CO 2 including mixtures respectively. The performance of the mixing rules for the studied refrigerant VLE database follows the decreasing order MHV1 > HVO > WS.
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