Separation of Small Paraffin-Olefin Mixtures With An Ionic Liquid

Thermodynamic Study Using COSMO-RS

Elia Ruiz, Waheed Afzal, Xiangyang Liu, Guangren Yu, Jose Palomar, John M. Prausnitz

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Abstract

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.
Original languageEnglish
Title of host publication2013 AIChE Annual Meeting Proceedings: Separations Division
Subtitle of host publicationAdvances in Absorption
PublisherAIChE
Publication statusPublished - 6 Nov 2013
Event2013 Annual Meeting of the American Institute of Chemical Engineers (AIChE) - San Francisco, United States
Duration: 3 Nov 20138 Nov 2013

Conference

Conference2013 Annual Meeting of the American Institute of Chemical Engineers (AIChE)
Abbreviated titleAIChE 2013
CountryUnited States
CitySan Francisco
Period3/11/138/11/13

Fingerprint

Ionic Liquids
Propane
Ethane
Alkenes
Paraffin
Thermodynamics
Hexanes
Hydrocarbons
Anions
Cations
Solubility
Experiments
propylene
butylene
ethylene
butane

Cite this

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.

Separation of Small Paraffin-Olefin Mixtures With An Ionic Liquid : Thermodynamic Study Using COSMO-RS. / Ruiz, Elia; Afzal, Waheed; Liu, Xiangyang; Yu, Guangren; Palomar, Jose; Prausnitz, John M.

2013 AIChE Annual Meeting Proceedings: Separations Division: Advances in Absorption. AIChE, 2013. 522c.

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Ruiz, E, Afzal, W, Liu, X, Yu, G, Palomar, J & Prausnitz, JM 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, 2013 Annual Meeting of the American Institute of Chemical Engineers (AIChE), San Francisco, United States, 3/11/13.
Ruiz E, Afzal W, Liu X, Yu G, Palomar J, Prausnitz JM. 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. AIChE. 2013. 522c
Ruiz, Elia ; Afzal, Waheed ; Liu, Xiangyang ; Yu, Guangren ; Palomar, Jose ; Prausnitz, John M. / Separation of Small Paraffin-Olefin Mixtures With An Ionic Liquid : Thermodynamic Study Using COSMO-RS. 2013 AIChE Annual Meeting Proceedings: Separations Division: Advances in Absorption. AIChE, 2013.
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N2 - 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.

AB - 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.

M3 - Conference contribution

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