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作者:

Lei, Zhigang (Lei, Zhigang.) | Kuang, Yu (Kuang, Yu.) | Yu, Gangqiang (Yu, Gangqiang.) | Dai, Chengna (Dai, Chengna.) | Ding, Yanzhou (Ding, Yanzhou.) | Lu, Jianjiang (Lu, Jianjiang.)

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EI Scopus SCIE

摘要:

The vapor pressures of the binary systems (water + [OMIM][BF4], water + [OMIM][Tf2N], and water + [OMIM][PF6]) were measured by a modified equilibrium still at temperatures ranging from 323.15 to 358.15 K and water mole fraction ranging from 0.1 to 0.9 for water + [OMIM][BF4], from 0.1 to 0.4 for water and [OMIM][Tf2N] and from 0.05 to 0.45 for water + [OMIM][PF6] binary systems, respectively. The experimental results indicate that with the addition of ionic liquids (ILs) the vapor pressure of binary systems decreases. In addition, the popular and widely used UNIFAC-Lei model was extended to the corresponding systems to predict the vapor pressures with the average relative deviations (ARDs) of 4.99%, 4.71% and 5.15% for water + [OMIM][BF4]/[OMIM][Tf2N]/[OMIM][PF6] systems, respectively. Moreover, the binding energy, excess enthalpies and s-profiles were investigated to analyze the thermodynamic behavior at the molecular level. It was found that the interaction between [OMIM][BF4] and water is significantly higher than those between [OMIM][Tf2N]/[OMIM][PF6] and water as shown by the sigma-profiles and the binding energy, and the hydrogen bonding interaction is the dominant driving force contributing to the overall excess enthalpy. (C) 2020 Elsevier B.V. All rights reserved.

关键词:

Mechanism analysis Ionic liquid UNIFAC-Lei model Water Vapor pressure

作者机构:

  • [ 1 ] [Lei, Zhigang]Beijing Univ Chem Technol, State Key Lab Chem Resource Engn, Beijing Key Lab Energy Environm Catalysis, Box 266, Beijing 100029, Peoples R China
  • [ 2 ] [Kuang, Yu]Beijing Univ Chem Technol, State Key Lab Chem Resource Engn, Beijing Key Lab Energy Environm Catalysis, Box 266, Beijing 100029, Peoples R China
  • [ 3 ] [Yu, Gangqiang]Beijing Univ Technol, Coll Environm & Energy Engn, Beijing 100124, Peoples R China
  • [ 4 ] [Dai, Chengna]Beijing Univ Technol, Coll Environm & Energy Engn, Beijing 100124, Peoples R China
  • [ 5 ] [Ding, Yanzhou]Shihezi Univ, Sch Chem & Chem Engn, Shihezi 832003, Peoples R China
  • [ 6 ] [Lu, Jianjiang]Shihezi Univ, Sch Chem & Chem Engn, Shihezi 832003, Peoples R China

通讯作者信息:

  • [Dai, Chengna]Beijing Univ Technol, Coll Environm & Energy Engn, Beijing 100124, Peoples R China

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来源 :

JOURNAL OF MOLECULAR LIQUIDS

ISSN: 0167-7322

年份: 2020

卷: 301

6 . 0 0 0

JCR@2022

ESI学科: CHEMISTRY;

ESI高被引阀值:139

被引次数:

WoS核心集被引频次: 6

SCOPUS被引频次: 7

ESI高被引论文在榜: 0 展开所有

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