Fluid Phase Equilibria, Vol.425, 169-176, 2016
Modeling the solubility and volumetric properties of H-2 and heavy hydrocarbons using the simplified PC-SAFT
The solubility and volumetric properties of H-2 and heavy hydrocarbons are important to the design of many chemical processes. In this paper, a simplified Perturbed-Chain Statistical Associating Fluid Theory (PC-SAFT) is chosen to model the solubility and volumetric properties of H-2/heavy alkanes and H-2/bitumen mixtures. The number of reduced density roots given by the simplified PC-SAFT is discussed and a robust procedure is employed to solve for the root with the lowest Gibbs free energy. The development of new H-2 parameters and the correlation of H-2-heavy alkane pairs for the simplified PC-SAFT is completed using extensive experimental data. The new parameters are applied with a developed bitumen characterization method to predict H-2 solubility in Athabasca Bitumen. The average absolute deviations (AADs) between the measured solubility data and the modeling results are within 0.57% for the five H-2/heavy alkane systems and 0.69% for the H-2/Athabasca bitumen systems. Finally, the density, thermal expansion coefficient, and compressibility of the systems are predicted over wide ranges of temperature and pressure. (C) 2016 Elsevier B.V. All rights reserved.
Keywords:The simplified PC-SAFT;Bitumen;Hydrogen;Solubility;Density;Compressibility;Thermal expansion coefficient