化学
共晶体系
氯化胆碱
乙二醇
三甘醇
氢键
分子间力
COSMO-RS公司
无机化学
物理化学
分子
离子液体
有机化学
合金
催化作用
作者
Guoxuan Li,Qinghua Liu,Chengmin Gui,Zhigang Lei
摘要
Abstract Deep eutectic solvents (DESs) as promising green drying agents were first proposed to natural gas (NG) dehydration. In this work, choline chloride (ChCl)‐based DESs were prepared using ChCl as hydrogen bond acceptor (HBA) and triethylene glycol (TEG), ethylene glycol (EG) or Urea as hydrogen bond donors (HBDs). To explore the potential application, methane (CH 4 ) dehydration experiment was conducted to verify the dehydration performance using prepared DESs. The thermodynamic properties were predicted by COSMO‐RS model (Conductor‐like screening model for real solvents). The quantum chemistry calculation was applied to understand the separation mechanism at the molecular level. The absorption performance of H 2 O in DESs depends on the weak interaction between Cl atom (or N and O atom) of ChCl and H atom of H 2 O as well as the free volume of DESs. Molecular dynamics (MD) simulation discloses the intermolecular interaction between HBA and HBD. This work makes the first multi‐scale analysis on NG dehydration using DESs.
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