离子液体/CO<sub>2</sub>混合体系的黏度预测模型

闫智宇; 王奕然; 何茂刚; 刘向阳

doi:10.11949/0438-1157.20260127

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离子液体/CO₂混合体系的黏度预测模型

热力学 | 更新时间：2026-04-23

- 离子液体/CO₂混合体系的黏度预测模型
- Viscosity prediction model for ionic liquid/CO₂ mixtures
- 化工学报 2026年
- 作者机构：
  
  西安交通大学热流科学与工程教育部重点实验室，陕西西安 710049
- 作者简介：
  
  闫智宇（2000—），男，硕士研究生，1063343202@qq.com
  刘向阳（1987—），男，博士，教授，lxyyang@mail.xjtu.edu.cn
- 基金信息：
  
  国家自然科学基金重点基金项目(52422607)
- DOI：10.11949/0438-1157.20260127
  中图分类号： TQ 028.8
- 收稿：2026-01-26，
  
  修回：2026-04-20，
  
  录用：2026-04-21，
- 稿件说明：
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闫智宇, 王奕然, 何茂刚, 等. 离子液体/CO₂混合体系的黏度预测模型[J/OL]. 化工学报, 2026. DOI: 10.11949/0438-1157.20260127.

YAN Zhiyu, WANG Yiran, HE Maogang, et al. Viscosity prediction model for ionic liquid/CO₂ mixtures[J/OL]. CIESC Journal, 2026. DOI: 10.11949/0438-1157.20260127.
闫智宇, 王奕然, 何茂刚, 等. 离子液体/CO₂混合体系的黏度预测模型[J/OL]. 化工学报, 2026. DOI: 10.11949/0438-1157.20260127. DOI：

YAN Zhiyu, WANG Yiran, HE Maogang, et al. Viscosity prediction model for ionic liquid/CO₂ mixtures[J/OL]. CIESC Journal, 2026. DOI: 10.11949/0438-1157.20260127. DOI：

摘要

离子液体在二氧化碳捕集领域展现出巨大的潜力，然而二氧化碳与离子液体混合物的黏度随组成和工况发生剧烈变化，现有黏度模型难以准确描述其变化规律。为此，提出了一种修正的熵标度理论黏度模型，并结合极性软球统计缔合流体理论状态方程，获取了黏度模型中的密度、相平衡及熵等关键热力学参数。黏度模型参数分别采用纯离子液体数据拟合或基于离子液体/CO

混合物数据拟合，并将该模型用于7种离子液体/CO

体系的黏度计算与验证。结果表明，两种参数化方式下模型的平均绝对相对偏差分别为10.47%和6.75%，均明显低于自由体积理论模型和摩擦理论模型。该模型可以为离子液体碳捕集系统的优化设计提供重要的基础物性数据支持。

Abstract

Ionic liquids have shown great potential in carbon dioxide capture. However

the viscosity of ionic liquid/CO

mixtures varies dramatically with composition and operating conditions

and existing viscosity models are still inadequate for accurately describing such complex behavior. In this work

a modified entropy scaling (MES) viscosity model is proposed. Combined with the polar soft-statistical associating fluid theory (polar soft-SAFT) equation of state

key thermodynamic properties required by the viscosity model

including density

phase equilibrium

and entropy

are obtained. The viscosity model parameters were determined either by fitting data for the pure ionic liquids or by fitting data for the ionic liquid/CO

mixtures

and the resulting model was then used to calculate and validate the viscosities of seven ionic liquid/CO

systems. The results show that

under the two parameterization strategies

the average absolute relative deviations (A

ARDs) of the new model for these seven systems are 10.47% and 6.75%

respectively

both significantly lower than those of the free-volume theory model and the friction theory model. The proposed model can provide important basic thermophysical property data for the optimal design of ionic-liquid-based CO

capture systems.

关键词

Keywords

references

Xing H Y , Yu F , Li X H , et al . Application of ionic liquids in CO 2 capture and conversion: a review [J ] . Separation and Purification Technology , 2025 , 360 : 130981 .

张奇 , 张睿 , 郑涛 , 等 . 基于分子模拟的新型双阳离子质子型离子液体捕集CO 2 研究 [J ] . 化工学报 , 2025 , 76 ( 2 ): 797 - 811 .

Zhang Q , Zhang R , Zheng T , et al . Revealing CO 2 capture by a novel dual-cation protic ionic liquid using molecular simulation [J ] . CIESC Journal , 2025 , 76 ( 2 ): 797 - 811 .

Ahosseini A , Ortega E , Sensenich B , et al . Viscosity of n-alkyl-3-methyl-imidazolium bis(trifluoromethylsulfonyl)amide ionic liquids saturated with compressed CO 2 [J ] . Fluid Phase Equilibria , 2009 , 286 ( 1 ): 72 - 78 .

Tomida D , Kumagai A , Qiao K , et al . Viscosity of 1-butyl-3-methylimidazolium hexafluorophosphate + CO 2 mixture [J ] . Journal of Chemical & Engineering Data , 2007 , 52 ( 5 ): 1638 - 1640 .

Tomida D , Kenmochi S , Qiao K , et al . Viscosity of ionic liquid mixtures of 1-alkyl-3-methylimidazolium hexafluorophosphate + CO 2 [J ] . Fluid Phase Equilibria , 2011 , 307 ( 2 ): 185 - 189 .

Shen G L , Held C , Mikkola J P , et al . Modeling the viscosity of ionic liquids with the electrolyte perturbed-chain statistical association fluid theory [J ] . Industrial & Engineering Chemistry Research , 2014 , 53 ( 52 ): 20258 - 20268 .

康凯 , 杨树 , 王晓坡 , 等 . 面向CO 2 捕集、驱油和封存技术的黏度预测模型 [J ] . 西安交通大学学报 , 2025 , 59 ( 2 ): 106 - 114 .

Kang K , Yang S , Wang X P , et al . A predictive viscosity model for CO 2 -carbon capture, use and storage for enhanced oil recovery technology [J ] . Journal of Xi’an Jiaotong University , 2025 , 59 ( 2 ): 106 - 114 .

Melfi D T , Scurto A M . Viscosity of imidazolium ionic liquids and mixtures of ILs from entropy scaling using the PC-SAFT and ePC-SAFT equations of state [J ] . Journal of Molecular Liquids , 2024 , 401 : 124500 .

Yan Z Y , Wang Y R , Liu X Y , et al . Entropy scaling of viscosity for imidazolium ionic liquids with dissolved refrigerants based on the soft-SAFT equation of state [J ] . Journal of Chemical & Engineering Data , 2025 , 70 ( 8 ): 3228 - 3242 .

Alkhatib I I I , Pereira L M C , Torne J , et al . Polar soft-SAFT: theory and comparison with molecular simulations and experimental data of pure polar fluids [J ] . Physical Chemistry Chemical Physics , 2020 , 22 ( 23 ): 13171 - 13191 .

Blas F J , Vega L F . Thermodynamic behaviour of homonuclear and heteronuclear Lennard-Jones chains with association sites from simulation and theory [J ] . Molecular Physics , 1997 , 92 ( 1 ): 135 - 150 .

Alkhatib I I I , Llovell F , Vega L F . Assessing the effect of impurities on the thermophysical properties of methane-based energy systems using polar soft-SAFT [J ] . Fluid Phase Equilibria , 2021 , 527 : 112841 .

Suzuki Y , Watanabe M , Kodama D , et al . Density, viscosity, CO 2 and CH 4 solubility, and CO 2 /CH 4 selectivity of protic and aprotic imidazolium and ammonium bis(trifluoromethanesulfonyl)amide and tetrafluoroborate ionic liquids [J ] . Journal of Chemical & Engineering Data , 2024 , 69 ( 3 ): 1013 - 1025 .

Machida H , Sato Y , Jr Smith R L . Pressure–volume–temperature (PVT) measurements of ionic liquids ([bmim + ] [PF 6 − ] , [bmim + ] [BF 4 − ] , [bmim + ] [OcSO 4 − ] ) and analysis with the Sanchez–Lacombe equation of state [J ] . Fluid Phase Equilibria , 2008 , 264 ( 1/2 ): 147 - 155 .

Tekin A , Safarov J , Shahverdiyev A , et al . (p, ρ, T) Properties of 1-butyl-3-methylimidazolium tetrafluoroborate and 1-butyl-3-methylimidazolium hexafluorophosphate at T = (298.15 to 398.15) K and pressures up to p = 40 MPa [J ] . Journal of Molecular Liquids , 2007 , 136 ( 1/2 ): 177 - 182 .

Gardas R L , Freire M G , Carvalho P J , et al . High-pressure densities and derived thermodynamic properties of imidazolium-based ionic liquids [J ] . Journal of Chemical & Engineering Data , 2007 , 52 ( 1 ): 80 - 88 .

Taguchi R , Machida H , Sato Y , et al . High-pressure densities of 1-alkyl-3-methylimidazolium hexafluorophosphates and 1-alkyl-3-methylimidazolium tetrafluoroborates at temperatures from (313 to 473) K and at pressures up to 200 MPa [J ] . Journal of Chemical & Engineering Data , 2009 , 54 ( 1 ): 22 - 27 .

Gardas R L , Freire M G , Carvalho P J , et al . PρT measurements of imidazolium-based ionic liquids [J ] . Journal of Chemical & Engineering Data , 2007 , 52 ( 5 ): 1881 - 1888 .

Safarov J , El-Awady W A , Shahverdiyev A , et al . Thermodynamic properties of 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide [J ] . Journal of Chemical & Engineering Data , 2011 , 56 ( 1 ): 106 - 112 .

Iguchi M , Hiraga Y , Sato Y , et al . Measurement of high-pressure densities and atmospheric viscosities of ionic liquids: 1-hexyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide and 1-hexyl-3-methylimidazolium chloride [J ] . Journal of Chemical & Engineering Data , 2014 , 59 ( 3 ): 709 - 717 .

Safarov J , Hamidova R , Zepik S , et al . Thermophysical properties of 1-hexyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide at high temperatures and pressures [J ] . Journal of Molecular Liquids , 2013 , 187 : 137 - 156 .

Tomé L I N , Carvalho P J , Freire M G , et al . Measurements and correlation of high-pressure densities of imidazolium-based ionic liquids [J ] . Journal of Chemical & Engineering Data , 2008 , 53 ( 8 ): 1914 - 1921 .

Gao J S , Wagner N J . Non-ideal viscosity and excess molar volume of mixtures of 1-butyl-3-methylimidazolium tetrafluoroborate ([C 4 mim ] [BF 4 ] ) with water [J ] . Journal of Molecular Liquids , 2016 , 223 : 678 - 686 .

Tomida D , Kumagai A , Qiao K , et al . Viscosity of [bmim ] [PF 6 ] and [bmim ] [BF 4 ] at high pressure [J ] . International Journal of Thermophysics , 2006 , 27 ( 1 ): 39 - 47 .

Atilhan M , Jacquemin J , Rooney D , et al . Viscous behavior of imidazolium-based ionic liquids [J ] . Industrial & Engineering Chemistry Research , 2013 , 52 ( 47 ): 16774 - 16785 .

Sharma A , Julcour C , Kelkar A A , et al . Mass transfer and solubility of CO a nd H 2 in ionic liquid. Case of [bmim ] [PF 6 ] with gas-inducing stirrer reactor [J ] . Industrial & Engineering Chemistry Research , 2009 , 48 ( 8 ): 4075 - 4082 .

Harris K R , Woolf L A , Kanakubo M . Temperature and pressure dependence of the viscosity of the ionic liquid 1-butyl-3-methylimidazolium hexafluorophosphate [J ] . Journal of Chemical & Engineering Data , 2005 , 50 ( 5 ): 1777 - 1782 .

Rocha M A A , Ribeiro F M S , Ferreira A I M C L , et al . Thermophysical properties of [C N−1 C 1 im ] [PF 6 ] ionic liquids [J ] . Journal of Molecular Liquids , 2013 , 188 : 196 - 202 .

Tomida D , Kumagai A , Kenmochi S , et al . Viscosity of 1-hexyl-3-methylimidazolium hexafluorophosphate and 1-octyl-3-methylimidazolium hexafluorophosphate at high pressure [J ] . Journal of Chemical & Engineering Data , 2007 , 52 ( 2 ): 577 - 579 .

Safarov J , Bussemer C , Aliyev A , et al . Effect of temperature on thermal (density), caloric (heat capacity), acoustic (speed of sound) and transport (viscosity) properties of 1-octyl-3-methylimidazolium hexafluorophosphate at atmospheric pressure [J ] . The Journal of Chemical Thermodynamics , 2018 , 124 : 49 - 64 .

Jacquemin J , Husson P , Padua A A H , et al . Density and viscosity of several pure and water-saturated ionic liquids [J ] . Green Chemistry , 2006 , 8 ( 2 ): 172 - 180 .

Harris K R , Kanakubo M . Temperature and pressure dependence of the viscosity of the ionic liquids 1-hexyl-3-methylimidazolium tetrafluoroborate and 1-ethyl- and 1-hexyl-3-methylimidazolium bis(trifluoromethylsulfonyl)amides [J ] . Journal of Chemical & Engineering Data , 2021 , 66 ( 12 ): 4618 - 4628 .

Hazrati N , Abdouss M , Miran Beigi A A , et al . Physicochemical properties of long chain alkylated imidazolium based chloride and bis(trifluoromethanesulfonyl)imide ionic liquids [J ] . Journal of Chemical & Engineering Data , 2017 , 62 ( 10 ): 3084 - 3094 .

Ahosseini A , Scurto A M . Viscosity of imidazolium-based ionic liquids at elevated pressures: cation and anion effects [J ] . International Journal of Thermophysics , 2008 , 29 ( 4 ): 1222 - 1243 .

Makino T , Kanakubo M , Masuda Y , et al . CO 2 absorption properties, densities, viscosities, and electrical conductivities of ethylimidazolium and 1-ethyl-3-methylimidazolium ionic liquids [J ] . Fluid Phase Equilibria , 2014 , 362 : 300 - 306 .

Aki S N V K , Mellein B R , Saurer E M , et al . High-pressure phase behavior of carbon dioxide with imidazolium-based ionic liquids [J ] . The Journal of Physical Chemistry B , 2004 , 108 ( 52 ): 20355 - 20365 .

Jalili A H , Mehrabi M , Zoghi A T , et al . Solubility of carbon dioxide and hydrogen sulfide in the ionic liquid 1-butyl-3-methylimidazolium trifluoromethanesulfonate [J ] . Fluid Phase Equilibria , 2017 , 453 : 1 - 12 .

Ren W , Sensenich B , Scurto A M . High-pressure phase equilibria of {carbon dioxide (CO 2 ) + n-alkyl-imidazolium bis(trifluoromethylsulfonyl)amide} ionic liquids [J ] . The Journal of Chemical Thermodynamics , 2010 , 42 ( 3 ): 305 - 311 .

Tomida D , Kumagai A , Qiao K , et al . Viscosity of 1-butyl-3-methylimidazolium tetrafluoroborate + CO 2 mixture [J ] . High Temperatures-High Pressures , 2008 , 37 ( 1 ): 81 - 89 .

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DOI：10.11949/0438-1157.20260127

摘要

Abstract

关键词

Keywords

references

离子液体/CO₂混合体系的黏度预测模型

Viscosity prediction model for ionic liquid/CO₂ mixtures