Thermophysical properties of aqueous solutions of the 1-ethyl-3-methylimidazolium tricyanomethanide ionic liquid

Vataščin, Erika; Dohnal, Vladimı́r

doi:10.1016/j.jct.2015.05.011

Cited by 30 publications

(4 citation statements)

References 25 publications

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“…As the fraction of the solute increases, both the excess volume and the excess enthalpy increase until they reach a maximum. This behavior is found in hydrophobic ionic liquids [14,15].…”

Section: A the Phase Diagram For Pure Componentsmentioning

confidence: 63%

“…In the case of the ionic liquids the constant pressure heat capacity also shows an oscillatory behavior but the peak occurs at higher concentrations of the solute x 2 = 0.3 [14,15].…”

Section: Introductionmentioning

confidence: 98%

“…For the less hydrophobic ionic liquids in which the excess volume is negative, the excess enthalpy is negative and shows a minimum at the same solute fraction of the minimum of the excess volume. For the hydrophobic ionic liquids the excess enthalpy is positive and shows a maximum for the same fraction of the solute of the maximum of the excess volume [14,15].…”

Section: Introductionmentioning

confidence: 99%

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Lattice model for water-solute mixtures

Furlan

Almarza

Barbosa

2016

The Journal of Chemical Physics

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A lattice model for the study of mixtures of associating liquids is proposed. Solvent and solute are modeled by adapting the associating lattice gas (ALG) model. The nature of interaction solute/solvent is controlled by tuning the energy interactions between the patches of ALG model. We have studied three set of parameters, resulting on, hydrophilic, inert and hydrophobic interactions.Extensive Monte Carlo simulations were carried out and the behavior of pure components and the excess properties of the mixtures have been studied. The pure components: water (solvent) and solute, have quite similar phase diagrams, presenting: gas, low density liquid, and high density liquid phases. In the case of solute, the regions of coexistence are substantially reduced when compared with both the water and the standard ALG models. A numerical procedure has been developed in order to attain series of results at constant pressure from simulations of the lattice gas model in the grand canonical ensemble. The excess properties of the mixtures: volume and enthalpy as the function of the solute fraction have been studied for different interaction parameters of the model. Our model is able to reproduce qualitatively well the excess volume and enthalpy for different aqueous solutions. For the hydrophilic case, we show that the model is able to reproduce the excess volume and enthalpy of mixtures of small alcohols and amines. The inert case reproduces the behavior of large alcohols such as, propanol, butanol and pentanol. For last case (hydrophobic), the excess properties reproduce the behavior of ionic liquids in aqueous solution.a

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“…As the fraction of the solute increases, both the excess volume and the excess enthalpy increase until they reach a maximum. This behavior is found in hydrophobic ionic liquids [14,15].…”

Section: A the Phase Diagram For Pure Componentsmentioning

confidence: 63%

“…In the case of the ionic liquids the constant pressure heat capacity also shows an oscillatory behavior but the peak occurs at higher concentrations of the solute x 2 = 0.3 [14,15].…”

Section: Introductionmentioning

confidence: 98%

Section: Introductionmentioning

confidence: 99%

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Lattice model for water-solute mixtures

Furlan

Almarza

Barbosa

2016

The Journal of Chemical Physics

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“…NRTL model has been widely proved to perform adequately for the purpose in our previous studies. [1][2][3][4][5][6]8 Bearing in mind that the selection of accurate data and rational fitting strategy are also important prerequisites for establishing a globally performing model, the procedure we adopted for the evaluation of adjustable parameters was as follows. For the (water + [BMPYR][OTF]) system, the VLE and H E data measured in this work were simultaneously correlated using the weighted least-squares method, the objective function minimalized being…”

Section: Phase Equilibria and Thermalmentioning

confidence: 99%

Phase Equilibria, Thermodynamic Behavior, and Transport Properties of Aqueous Solutions of [BMPYR] Trifluoromethanesulfonate and [BMPYR] Tricyanomethanide

Havlová

Dohnal

2022

J. Chem. Eng. Data

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In this work, continuing our systematic studies on mixtures of 1-ethyl-3-methylimidazolium- or 1-butyl-1-methylpyrrolidinium (BMPYR)-based ionic liquids (ILs) with water, we thoroughly examine the thermodynamic and transport behavior of binary aqueous systems of two BMPYR-based ILs containing trifluoromethanesulfonate (OTF) and tricyanomethanide (TCM) as counterions. We performed accurate measurements of the phase equilibria, mixing enthalpy, density, viscosity, and electrical conductivity for these mixtures. The condensed phase equilibria were determined by employing dynamic measurements of freezing or cloud point temperatures and static solubility measurements for the mixtures, as well as DSC measurements on the neat ILs. The mixing enthalpy of [BMPYR][OTF] with water was determined at high IL dilutions and four temperatures in the range T = (288.15–318.15) K. Measurements of other properties were performed over the entire composition range (apart from the narrow miscibility gap in the dilute [BMPYR][TCM] region). The vapor–liquid equilibrium was determined by measuring water activity at seven equidistant temperatures in the range T = (288.15–318.15) K. The activity data were simultaneously correlated with those on either excess enthalpy (for [BMPYR][OTF]) or mutual liquid–liquid solubilities (for [BMPYR][TCM]) using an extended nonrandom two-liquid equation. This thermodynamic description of the systems was shown to be of outstanding global performance and allowed us to gain a deeper insight into their energetics. Density, viscosity, and conductivity for the mixtures, as well as of neat ILs, were measured at 10 temperatures covering the range T = (288.15–333.15) K and were adequately represented by suitable empirical relations. A consistent molecular-level interpretation of various facets of the observed behavior is presented in terms of an interplay of anion–water and water–water H-bonding, cation hydrophobic hydration, and ion pairing. Due comparison of new data with those available in the literature enabled us to discriminate their quality and identify some of the latter as incorrect.

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Comments Regarding “Volumetric, UV–Vis and FT IR Studies of Isoniazid in Diethylsulfoxide Solutions”

Acree

2021

J Solution Chem

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Thermophysical properties of aqueous solutions of the 1-ethyl-3-methylimidazolium tricyanomethanide ionic liquid

Cited by 30 publications

References 25 publications

Lattice model for water-solute mixtures

Lattice model for water-solute mixtures

Phase Equilibria, Thermodynamic Behavior, and Transport Properties of Aqueous Solutions of [BMPYR] Trifluoromethanesulfonate and [BMPYR] Tricyanomethanide

Comments Regarding “Volumetric, UV–Vis and FT IR Studies of Isoniazid in Diethylsulfoxide Solutions”

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