Diffusion coefficients and Henry’s constants of hydrofluorocarbons in [HMIM][Tf 2 N], [HMIM][TfO], and [HMIM][BF 4 ]

He, Maogang; Peng, Sanguo; Liu, Xiang Yang; Pan, Pei; He, Yongdong

doi:10.1016/j.jct.2017.04.009

Cited by 29 publications

(34 citation statements)

References 51 publications

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“…Since no D 11 data for the binary mixture of [HMIM][NTf 2 ] and CO 2 are available outside the limit of infinite dilution in the literature, a comparison is not possible. For the experimental D 11 of He et al and Moganty and Baltus, which measured D 11 at the infinite dilution of CO 2 dissolved in [HMIM][NTf 2 ], a comparison with results from DLS experiments is already published …”

Section: Resultsmentioning

confidence: 99%

Fick Diffusion Coefficient in Binary Mixtures of [HMIM][NTf₂] and Carbon Dioxide by Dynamic Light Scattering and Molecular Dynamics Simulations

et al. 2021

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Dynamic light scattering (DLS) experiments and equilibrium molecular dynamics (EMD) simulations were performed in the saturated liquid phase of the binary mixture of 1-hexyl-3-methylimidazolium bis(trifluormethylsulfonyl)imide ([HMIM][NTf2]) and carbon dioxide (CO2) to access the Fick diffusion coefficient (D 11). The investigations were performed within or close to saturation conditions at temperatures between (298.15 and 348.15) K and CO2 mole fractions (x CO2) up to 0.81. The DLS experiments were combined with polarization-difference Raman spectroscopy (PDRS) to simultaneously access the composition of the liquid phase. For the first time in an electrolyte-based system, D 11 was directly calculated from EMD simulations by accessing the Maxwell–Stefan (MS) diffusion coefficient and the thermodynamic factor. Agreement within combined uncertainties was found between D 11 from DLS and EMD simulations for CO2 mole fractions up to 0.5. In general, an increasing D 11 with increasing x CO2 could be observed, with a local maximum present at a CO2 mole fraction of about 0.75. The local maximum could be explained by an increasing MS diffusion coefficient with increasing x CO2 over the entire studied composition range and a decreasing thermodynamic factor at x CO2 above 0.7. Finally, PDRS and EMD simulations were combined to investigate the influence of the fluid structure on the diffusive process.

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Section: Resultsmentioning

confidence: 99%

Fick Diffusion Coefficient in Binary Mixtures of [HMIM][NTf₂] and Carbon Dioxide by Dynamic Light Scattering and Molecular Dynamics Simulations

et al. 2021

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“…The order of the diffusion coefficients of R1233zd(E) in the three ionic liquids is [HMIM][TfO] > [HMIM][BF 4 ] > [HMIM][Tf 2 N]. The diffusion coefficients of R32, R161, R1234yf, R125, R143a, and R152a reported in literature are compared to those of R1233zd(E) in [HMIM][Tf 2 N], [HMIM][TfO], and [HMIM][BF 4 ] in Figures , , and . They all show that the diffusion coefficients of R1233zd(E) are most sensitive to temperature and higher than those of other refrigerants in the tested three ionic liquids.…”

Section: Resultsmentioning

confidence: 99%

“…Experimental Apparatus and Procedure. The details of the experimental method for the measurement of gas solubility and diffusion coefficient have been presented previously, 20 and only a short description will be provided here. The schematic diagram of the apparatus mainly consisted of two parts, the gas chamber and diffusion chamber, as shown in Figure 1.…”

Section: ■ Introductionmentioning

confidence: 99%

“…Taking into the random error account, the relative expanded uncertainties of the mole fraction and the diffusion coefficient were 0.04 and 0.07 with a degree of confidence of 0.95, respectively. 20 The effect of the volume change of the ionic liquid caused by gas dissolution was considered using the method in literature, 28 when the uncertainty of mole fraction was estimated. The relative deviations of the molar fraction caused by neglecting the volume change were less than 0.019.…”

Section: ■ Introductionmentioning

confidence: 99%

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Gaseous Absorption of trans-1-Chloro-3,3,3-trifluoropropene in Three Immidazolium-Based Ionic Liquids

Pan

Yang

et al. 2018

J. Chem. Eng. Data

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In this work, the solubilities and diffusion coefficients of refrigerant trans-1-chloro-3,3,3-trifluoropropene (R1233zd(E)) in three imidazolium ionic liquids were measured at temperatures from 303.1 to 343.2 K and pressures up to 0.14 MPa. The ionic liquids include 1-hexyl-3-methyl-imidazolium bis(trifluoromethylsulfonyl)amide ([HMIM][Tf2N]), 1-hexyl-3-methylimidazolium trifluoromethanesulfonate ([HMIM][TfO]), and 1-hexyl-3-methyl-imidazolium tetrafluoroborate([HMIM][BF4]). The non-random two-liquid (NRTL) activity coefficient model was employed to correlate the experimental solubility data successfully, the AAD between the measured data and calculated values for the solubilities of R1233zd(E) in [HMIM][Tf2N], [HMIM][TfO], and [HMIM][BF4] are 3.1, 2.5, and 4.0%, respectively. The Wilke–Chang equation was used to correlate diffusion coefficients, the relative deviations between experimental results and the values calculated are most within 10%. Meanwhile, the solubility and diffusivity of refrigerant gases R32, R125, R152a, R161, R143a, R1234yf, R1234ze(E), and R1233zd(E) in ionic liquids [HMIM][Tf2N], [HMIM][TfO], and [HMIM][BF4] were compared and analyzed.

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“…The focus on the solubility of important industrial gases in ILs must now include transport and calorimetric measurements. Only a few articles have been published on diffusion measurements and enthalpies of dissolution in ILs. Typical diffusion coefficients for CO 2 in imidazolium‐based ILs range from 1 × 10 −5 to 1 × 10 −6 cm 2 s −1 and heats of mixing from a few kJ mol −1 (physical sorption) to 30–40 kJ mol −1 (chemical sorption) .…”

Section: Discussionmentioning

confidence: 99%

The solubility of gases in ionic liquids

Shiflett

Maginn

2017

AIChE Journal

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In this Perspective, we provide a detailed discussion of the techniques and methods used for determining the solubility of gases in ionic liquids (ILs). This includes various experimental measurement techniques, equation of state (EOS) modeling, and predictive molecular‐based modeling. Many of the key papers from the past 15 years are discussed and put into the context of the latest advances in the field. Limitations of these methods plus future developments and new research opportunities are discussed. © 2017 American Institute of Chemical Engineers AIChE J, 2017

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Diffusion coefficients and Henry’s constants of hydrofluorocarbons in [HMIM][Tf 2 N], [HMIM][TfO], and [HMIM][BF 4 ]

Cited by 29 publications

References 51 publications

Fick Diffusion Coefficient in Binary Mixtures of [HMIM][NTf₂] and Carbon Dioxide by Dynamic Light Scattering and Molecular Dynamics Simulations

Fick Diffusion Coefficient in Binary Mixtures of [HMIM][NTf₂] and Carbon Dioxide by Dynamic Light Scattering and Molecular Dynamics Simulations

Gaseous Absorption of trans-1-Chloro-3,3,3-trifluoropropene in Three Immidazolium-Based Ionic Liquids

The solubility of gases in ionic liquids

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Diffusion coefficients and Henry’s constants of hydrofluorocarbons in [HMIM][Tf 2 N], [HMIM][TfO], and [HMIM][BF 4 ]

Cited by 29 publications

References 51 publications

Fick Diffusion Coefficient in Binary Mixtures of [HMIM][NTf2] and Carbon Dioxide by Dynamic Light Scattering and Molecular Dynamics Simulations

Fick Diffusion Coefficient in Binary Mixtures of [HMIM][NTf2] and Carbon Dioxide by Dynamic Light Scattering and Molecular Dynamics Simulations

Gaseous Absorption of trans-1-Chloro-3,3,3-trifluoropropene in Three Immidazolium-Based Ionic Liquids

The solubility of gases in ionic liquids

Contact Info

Product

Resources

About

Fick Diffusion Coefficient in Binary Mixtures of [HMIM][NTf₂] and Carbon Dioxide by Dynamic Light Scattering and Molecular Dynamics Simulations

Fick Diffusion Coefficient in Binary Mixtures of [HMIM][NTf₂] and Carbon Dioxide by Dynamic Light Scattering and Molecular Dynamics Simulations