Enthalpic interaction coefficients of NaI–alkanediol pairs in methanol and in water

Piekarski, Henryk; Pietrzak, A.

doi:10.1007/s10973-011-1603-9

Cited by 6 publications

(3 citation statements)

References 27 publications

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“…This approach is beneficial because of its simplicity, but its disadvantage is the weakness in the prediction of properties for compounds which exhibit complex behavior, have isomers, etc. [64][65][66][67][68][69][70]. The Quantitative Structure-Property Relationship is a well-established and highly respected technique to correlate diverse simple and complex physicochemical properties of a component by its molecular structure and interactions among different molecular groups based on their connectivities [71][72][73].…”

Section: Model Developmentmentioning

confidence: 99%

On the prediction of critical temperatures of ionic liquids: Model development and evaluation

Sattari

Kamari

Mohammadi

et al. 2016

Fluid Phase Equilibria

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In this study, the Guggenheim equation was used to estimate the critical temperature (T c) of 106 ionic liquids using experimental surface tension data as inputs. A group contribution (GC) and a Quantitative Structure−Property Relationship (QSPR) model were also developed to correlate/predict the T c of ionic liquids. It was shown that a lack of sufficiently large database for T c lead to the development of models with low prediction capability. The model's output as well as the T c values estimated from the surface tension data were compared with the critical temperatures calculated by the Valderrama et al. method. The results showed that the Valderrama et al. method produces different data values compared with the values calculated by the Guggenheim equation. Neither the GC, QSPR, nor Valderrama's method is capable of reliable prediction of the T c of ionic liquids. Consequently, the calculated T c values are not reliable enough to be used in the development of corresponding state models for prediction of other thermophysical properties of ionic liquids. Any usage of critical properties of ionic liquids should be done with a serious caution.

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Section: Model Developmentmentioning

confidence: 99%

On the prediction of critical temperatures of ionic liquids: Model development and evaluation

Sattari

Kamari

Mohammadi

et al. 2016

Fluid Phase Equilibria

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“…In the mixtures of methanol with ethanol, n-propanol and iso-propanol, the addition of the cosolvent brings about a slow monotonous growth of the NaI dissolution enthalpy with no maxima [15]. 1,2-diols as cosolvents behave similarly in the range of high methanol content [16]. The absence of the maxima of the D sol H°in these mixtures within the methanol-rich range seems to point to the lack of ordering structure effect or the phenomenon analogous to the hydrophobic hydration (i.e., solvophobic solvation) [10].…”

Section: Solutions In Methanol-cosolvent Mixturesmentioning

confidence: 99%

“…It means that the solvation properties of the cosolvent toward the solute are preserved to some extent in methanol mixtures. The values of the enthalpic interaction coefficients for NaI-cosolvent pairs in methanol have different values, both positive and negative, depending on the cosolvent properties [16] (Table 2). The correlations of the h xy (NaI-cosolvent) coefficients that are characteristic of aqueous solutions were not observed here.…”

Section: Solutions In Methanol-cosolvent Mixturesmentioning

confidence: 99%

Thermochemistry of electrolyte solutions

Piekarski

2011

J Therm Anal Calorim

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The results of calorimetric investigations of electrolyte solutions in the mixtures of water, methanol, N,N-dimethylformamide, and acetonitrile with numerous organic cosolvents are discussed with regard to the intermolecular interactions that occur in the solution. Particular attention is given to answer the questions how and to what extent the properties of the systems examined are modified by the cosolvent added and how much the properties of the cosolvent are revealed in the mixtures with the solvents mentioned above. To this goal, the analysis of the electrolyte dissolution enthalpies, single ionic transfer enthalpies, and enthalpic pair interaction coefficients as well as the preferential solvation (PS) model are applied. The analysis performed shows that in the case of the dissolution enthalpies of simple inorganic electrolytes in waterorganic solvent mixtures, the shape of the dependence of the standard dissolution enthalpy on the mixed solvent composition reflects to a large extent the hydrophobic properties of the organic cosolvent. In the mixtures of methanol with organic cosolvents, the ions are preferentially solvated either by methanol molecules or by molecules of the cosolvent, depending on the properties of the mixed solvent components. The behavior of inorganic salts in the mixtures containing N,N-dimethylformamide is mostly influenced by the DMF which is a relatively strongly ion solvating solvent, whereas in acetonitrile mixtures, the thermochemical behavior of electrolyte solutions is influenced to a large extent by the properties of the cosolvent particularly due to the PS of cation by the cosolvent molecules.

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Ions in Mixed Solvents

2015

Ions in Solution and Their Solvation

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Enthalpic interaction coefficients of NaI–alkanediol pairs in methanol and in water

Cited by 6 publications

References 27 publications

On the prediction of critical temperatures of ionic liquids: Model development and evaluation

On the prediction of critical temperatures of ionic liquids: Model development and evaluation

Thermochemistry of electrolyte solutions

Ions in Mixed Solvents

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