Ionic liquids are nonvolatile solvents with desirable properties to be potential candidates for separation processes. The physicochemical properties of ILs can be tuned by different cation - anion combinations. In this paper, we use COSMO-RS to select the most promising ILs for the paraffin/olefin separation. We simulate the IL in two ways: [CA] and [C+A]. We estimate Henry’s constant of ethane, ethylene, propane, propylene, butane, butene, pentane, pentene, hexane and hexene using [C+A] COSMO model. We compared our calculations with some experiments reported in literature. The paraffin or olefin solubility in the IL is higher as increasing in the long chain of the hydrocarbon. We calculate the relative volatility and the selectivity of ethane/ethylene, propane/propylene and butane/butene. Because the [C+A] COSMO predictions overestimate the experiments, we consider the [CA] COSMO model. [CA] model deviations are smaller than those of [C+A]. Finally, from a thermodynamically point of view, we propose new promising IL for capturing ethane, propane, and butane from ethylene, propylene and butene respectively.
|Title of host publication||2013 AIChE Annual Meeting Proceedings: Separations Division|
|Subtitle of host publication||Advances in Absorption|
|Publication status||Published - 6 Nov 2013|
|Event||2013 Annual Meeting of the American Institute of Chemical Engineers (AIChE) - San Francisco, United States|
Duration: 3 Nov 2013 → 8 Nov 2013
|Conference||2013 Annual Meeting of the American Institute of Chemical Engineers (AIChE)|
|Abbreviated title||AIChE 2013|
|Period||3/11/13 → 8/11/13|
Ruiz, E., Afzal, W., Liu, X., Yu, G., Palomar, J., & Prausnitz, J. M. (2013). Separation of Small Paraffin-Olefin Mixtures With An Ionic Liquid: Thermodynamic Study Using COSMO-RS. In 2013 AIChE Annual Meeting Proceedings: Separations Division: Advances in Absorption [522c] AIChE.