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Thermodynamic study...
Thermodynamic study of imidazolium halide ionic liquid–water binary systems using excess Gibbs free energy models
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- Ma, Chunyan (författare)
- KTH,Luleå tekniska universitet,Energivetenskap,Resursåtervinning,Luleå Univ Technol, Dept Engn Sci & Math, Div Energy Sci Energy Engn, S-97187 Luleå, Sweden
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- Wang, Yanxin (författare)
- State Key Laboratory of Material-Oriented Chemical Engineering, Nanjing Tech University, Nanjing 210009, PR China,Nanjing Tech Univ, State Key Lab Mat Oriented Chem Engn, Nanjing 210009, Peoples R China.
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- Sun, Yunhao (författare)
- Luleå tekniska universitet,Energivetenskap,Luleå Univ Technol, Dept Engn Sci & Math, Div Energy Sci Energy Engn, S-97187 Luleå, Sweden.
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- Lu, Xiaohua (författare)
- State Key Laboratory of Material-Oriented Chemical Engineering, Nanjing Tech University, Nanjing 210009, PR China,Nanjing Tech Univ, State Key Lab Mat Oriented Chem Engn, Nanjing 210009, Peoples R China.
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- Ji, Xiaoyan (författare)
- Luleå tekniska universitet,Energivetenskap,Luleå Univ Technol, Dept Engn Sci & Math, Div Energy Sci Energy Engn, S-97187 Luleå, Sweden.
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(creator_code:org_t)
- Elsevier, 2023
- 2023
- Engelska.
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Ingår i: Journal of Molecular Liquids. - : Elsevier. - 0167-7322 .- 1873-3166. ; 391, Part B
- Relaterad länk:
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https://doi.org/10.1...
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Abstract
Ämnesord
Stäng
- In this work, the excess Gibbs free energy models, i.e., non-random two-liquid (NRTL) model and electrolyte NRTL model, including the original one and those with new strategies (association or hydration), were used to describe the macroscopic properties and interpret the microstructure of ionic liquid (IL) - H2O binary systems, clarifying the role of IL association and ion hydration in model development. To provide systematic data for model development, the enthalpy of mixing of three imidazolium-based IL-H2O systems containing the same cation but different sizes of anions, i.e., Cl−, Br−, and I−, were measured. The models were developed and evaluated based on the newly measured data and the osmotic coefficient from the literature. The results reveal that the model reflecting the intrinsic mechanism of dissociation and hydration gives the best modeling results; and the ionic strength and the degree of IL dissociation as a function of water content can be predicted using the newly established model. The study clarifies the significance of IL association and anion hydration in model development and quantitatively demonstrates how water content influences the microstructure and real species in IL-H2O systems.
Ämnesord
- NATURVETENSKAP -- Kemi -- Fysikalisk kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Physical Chemistry (hsv//eng)
- TEKNIK OCH TEKNOLOGIER -- Maskinteknik -- Energiteknik (hsv//swe)
- ENGINEERING AND TECHNOLOGY -- Mechanical Engineering -- Energy Engineering (hsv//eng)
- TEKNIK OCH TEKNOLOGIER -- Maskinteknik -- Annan maskinteknik (hsv//swe)
- ENGINEERING AND TECHNOLOGY -- Mechanical Engineering -- Other Mechanical Engineering (hsv//eng)
Nyckelord
- Association
- Enthalpy of mixing
- Hydration
- Ionic liquid
- Thermodynamic modeling
- Energiteknik
- Energy Engineering
Publikations- och innehållstyp
- ref (ämneskategori)
- art (ämneskategori)
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