氯化胆碱
环己烷
溶解度
化学
焓
共晶体系
深共晶溶剂
乙二醇
氢键
尿素
无机化学
物理化学
有机化学
热力学
分子
合金
物理
作者
Guoxuan Li,Chengmin Gui,Ruisong Zhu,Zhigang Lei
摘要
Abstract Deep eutectic solvents (DESs) as promising green absorbents were first proposed to capture the condensable cyclohexane gas. Choline chloride–ethylene glycol (EG) (Ethaline) and choline chloride–urea (Reline) were prepared using choline chloride as the hydrogen‐bond acceptor (HBA) and urea or EG as the hydrogen‐bond donor (HBD). To explore the potential application of DESs in condensable gas capture, the COSMO‐RS model was used to predict the solubility of cyclohexane in Ethaline and Reline. The thermodynamic properties, that is, Henry's constant and excess enthalpy, were estimated by correlating solubility data with Henry's law equation. Quantum chemical (QC) calculation was applied to understand the absorption mechanism at the molecular level. The results showed that the absorption performance of cyclohexane in Ethaline and Reline was dependent on the weak interaction between O of EG (or N of urea) and H of cyclohexane as well as the free volume effect of DESs.
科研通智能强力驱动
Strongly Powered by AbleSci AI