UNIFAC model for ionic liquid‐CO (H2) systems: An experimental and modeling study on gas solubility. Issue 12 (2nd September 2014)

• Record Type: Journal Article
• Authors: Lei, Zhigang; Dai, Chengna; Yang, Qian; Zhu, Jiqin; Chen, Biaohua
• Is Part Of: AIChE journal. Volume 60:Issue 12(2014:Dec.)
• Page Start: 4222
• Page End: 4231
• Publication Date: 2014-09-02
• Subjects: Chemical engineering -- Periodicals; Génie chimique -- Périodiques; 660.28
• DOI: 10.1002/aic.14606
• Languages: English
• ISSNs: 0001-1541

Abstract

<abstract abstract-type="main"> <title> <x xml:space="preserve">Abstract</x> </title> <p>The universal quasichemical functional‐group activity coefficients (UNIFAC) model for ionic liquids (ILs) has become notably popular because of its simplicity and availability via modern process simulation softwares. In this work, new group binary interaction parameters (α_mn and α_nm) between CO (H₂) and IL groups were obtained by correlating the solubility data in pure ILs at high temperatures (above 273.2 K) collected from the literature. the solubility of CO in [BMIM]⁺[BF₄]⁻, [OMIM]⁺[BF₄]⁻, [OMIM]⁺[Tf₂N]⁻, and their mixtures, as well as that of H₂ in [EMIM]⁺[BF₄]⁻, [BMIM]⁺[BF₄]⁻, [OMIM]⁺[Tf₂N]⁻, and their mixtures, at temperatures from 243.2 to 333.2 K and pressures up to 6.0 MPa were measured. The UNIFAC model was observed to well predict the solubility in pure and mixed ILs at both high (above 273.2 K) and low (below 273.2 K) temperatures. Moreover, the selectivity of CO (or H₂) to CO₂ in ILs increases with decreasing temperature, indicating that low temperatures favor for gas separation. © 2014 American Institute of Chemical Engineers <italic>AIChE J</italic> 60: 4222–4231, 2014</p> </abstract>