Preferential solvation in {amide + alcohol} binary mixtures. : Part 2. The N-methylpyrrolidinone + methanol mixture at T = 313.15 K: thermodynamic results and molecular dynamics calculations

(Vapour+liquid) equilibrium in (N,N-dimethylacetamide+methanol+water) at the temperature 313.15 K

“…Second, strong orientation effects within the solvation shell of molecules are present -the heat of mixing data suggest this. These conclusions were also confirmed by both thermodynamic and molecular dynamics investigations [1,27,28]. (2), K i of equation (4), their standard deviations, dC i , dK i , and standard deviations dp and dp=p for investigated mixtures.…”

(Vapour+liquid) equilibrium in (N,N-dimethylacetamide+ethanol+water) at the temperature 313.15K

“…Second, strong orientation effects within the solvation shell of molecules are present -the heat of mixing data suggests this. These conclusions were also confirmed by both thermodynamic and molecular dynamics investigations [19][20][21]. Inspection of figure 1 suggests dependence between the size of the amide molecule and value of the dimensionless excess Gibbs free energy of mixing, Q.…”

“…The second conclusion derived concerns the molecular structure of the ternary mixture. In our previous works [20][21][22][23][24], we have investigated the preferential solvation of amides in ternary mixtures (aliphatic amide + an alcohol + water) using the Kirkwood-Buff theory of solutions. It was found that the local mole fractions of components around the amide molecule differ from the bulk ones only slightly: this difference does not exceed a few per cent.…”

Interplay of micro- and macroscopic solvation in spectral responses of PACO in 1,4-dioxane–water mixtures: A combined experimental and quantum chemical analysis

“…Due to the unavailability of suitable solvents which are polar and also better hydrogen bond donors than water, the role of hydrogen bond donating ability of water in the entire process can not be established using a single solvent. The idea of binary solvent mixtures can be useful in this context [29][30][31][32][33][34][35][36][37]. 1,4-Dioxane-water mixtures, consisting of a protic solvent (water) and an aprotic solvent (1,4-dioxane) could be an ideal medium to study the specific and non-specific interactions.…”