COSMO-RS Method for Screening Absorption Refrigerant Working Pairs Using Ionic Liquids as Absorbents

Sun Yanjun; Zheng Haiqi; Wang Shibiao; Wang Xiaopo; He Maogang

doi:10.12465/j.issn.0253-4339.2024.06.091

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COSMO-RS Method for Screening Absorption Refrigerant Working Pairs Using Ionic Liquids as Absorbents

更新时间：2024-12-13

- COSMO-RS Method for Screening Absorption Refrigerant Working Pairs Using Ionic Liquids as Absorbents
- Journal of Refrigeration Vol. 45, Issue 6, Pages: 91-98(2024)
- 作者机构：
  
  1.西安交通大学人居环境与建筑工程学院　西安　 710049
  2.西安交通大学能源与动力工程学院　西安　 710049
- 作者简介：
  
  Sun Yanjun, male, associate professor, School of Human Settlements and Civil Engineering, Xi′an Jiaotong University, 86-18189291355, E-mail: sunyanjun@xjtu.edu.cn. Research fields: thermodynamic properties, optimization design of refrigeration cycle.
- 基金信息：
  
  the National Natural Science Foundation of China(52376164)
- DOI：10.12465/j.issn.0253-4339.2024.06.091
  CLC： TB61⁺2;TB61⁺6
- Published：16 December 2024，
  
  Received：08 July 2023，
  
  Revised：25 October 2023，
  
  Accepted：2023-11-14
- 稿件说明：
移动端阅览
SUN YANJUN, ZHENG HAIQI, WANG SHIBIAO, et al. COSMO-RS Method for Screening Absorption Refrigerant Working Pairs Using Ionic Liquids as Absorbents. [J]. Journal of refrigeration, 2024, 45(6): 91-98.
DOI：

SUN YANJUN, ZHENG HAIQI, WANG SHIBIAO, et al. COSMO-RS Method for Screening Absorption Refrigerant Working Pairs Using Ionic Liquids as Absorbents. [J]. Journal of refrigeration, 2024, 45(6): 91-98. DOI： 10.12465/j.issn.0253-4339.2024.06.091.

摘要

主要研究了R1234ze(E)、R1234yf、R1233zd和R1243zf这4种氢氟烯烃类制冷剂与20种阳离子和16种阴离子相互配对成的离子液体组成的吸收式制冷工质对。通过COSMO-RS方法对工质对的亨利常数及溶解度数据进行了模拟计算。从分子表面极化电荷密度的角度研究了不同工质对的亨利常数和溶解度的差异。结果表明：R1234ze(E)制冷剂的极化表面电荷密度曲线在负极区域存在一个峰值，它与正极区域出现极化表面电荷密度峰值的阴离子兼容性好，与负极区域出现极化表面电荷密度峰值的阳离子兼容性差。筛选出了与HFO类制冷剂配对时具有低的亨利常数以及高溶解度的离子液体。

Abstract

In this work

absorption refrigerant working pairs consisting of four HFO refrigerants

R1234ze(E)

R1234yf

R1233zd

and R1243zf

and ionic liquids were studied. The different ionic liquids contained 20 cations and 16 anions. The Henry′s law constant and solubility data of working pairs were simulated by the COSMO-RS method. The differences in Henry′s law constant and solubility between the different working pairs are discussed from the perspective of polarized charge density on the molecular surface. The polarized surface charge density curve of the R1234ze(E) refrigerant has a peak in the negative region. It is compatible with anions with a peak in the positive region. However

the compatibility with the peak in the negative region is poor. Ionic liquids with low Henry′s law constants and high solubilities were screened out when they were paired with HFO refrigerants.

关键词

COSMO-RS离子液体HFO制冷剂吸收式制冷

Keywords

COSMO-RSionic liquidsHFO refrigerantsabsorption refrigeration

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