Abstract
The gas solubility of pure oxygen and of pure carbon dioxide as well as of their gaseous mixture are measured in the ternary liquid mixture cyclohexane + cyclohexanone + cyclohexanol at 313.6 K with a high‐pressure view‐cell technique using the synthetic method. The new experimental data are used to assess the capability of molecular simulation and conductor‐like screening model (COSMO)‐SAC to predict multicomponent fluid‐phase coexistence behavior. These methods are also compared systematically on the basis of experimental binary fluid‐phase coexistence data. In that comparison also the Peng–Robinson (PR) equation of state is included as a reference. Molecular simulation and COSMO‐SAC yield good results and are found to be far superior to the PR equation of state both in predictive and in adjusted mode. © 2013 American Institute of Chemical Engineers AIChE J, 59: 2236–2250, 2013
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