Gas solubility of carbon dioxide and of oxygen in cyclohexanol by experiment and molecular simulation

Henry's law constant data of carbon dioxide and of oxygen in liquid cyclohexanol are determined at temperatures between (303 and 392) K by means of a precise experimental high-pressure view-cell technique with a synthetic method. Furthermore, molecular simulations are carried out with a molecular mixture model, based on the modified Lorentz-Berthelot combination rule that contains one binary interaction parameter which is adjusted to one experimental Henry's law constant for each binary mixture. The molecular model yields good results for the Henry's law constant over the entire temperature range. (C) 2012 Elsevier Ltd. All rights reserved.