Thermodynamics of amide+ketone mixtures. 1. Volumetric, speed of sound and refractive index data for N,N-dimethylformamide+2-alkanone systems at several temperatures

Cobos, Ana; Hevia, Fernando; González, Juan Antonio; Fuenté, Isaiás García de la; Alonso-Tristán, Cristina

doi:10.1016/j.jct.2016.02.016

Cited by 8 publications

(9 citation statements)

References 89 publications

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“…It is well known that D n values of a liquid mixture can be used to calculate the molar refraction, m R , of the system from the Lorentz-Lorentz equation [ show the same behavior [13] and one can conclude that that dispersive interactions become stronger when u is increased in the investigated systems.…”

Section: Refractive Indicesmentioning

confidence: 74%

“…However, others effects are also present. Both components are of similar size in the DMF + 2-propanone mixture, and the E m V curve is also shifted to lower mole fractions of the amide [13]. This may be interpreted assuming that interactions between unlike molecules are more probable in that concentration range.…”

Section: Discussionmentioning

confidence: 88%

“…For this purpose, the excess molar internal energy at constant volume, E Vm U , is an useful magnitude. It is calculated from [43,55]: This is particularly remarkable for the DMF + 2-heptanone mixture [13]. However, others effects are also present.…”

Section: Discussionmentioning

confidence: 93%

“…This may be interpreted assuming that interactions between unlike molecules are more probable in that concentration range. For a given 2-alkanone, say 2-pentanone, E m V /cm 3 mol -1 changes in the order:  0.243 (DMA) >  0.251 (DMF) [13] >  0.573 (NMP) [15]. The lower E m V value of the DMF system compared to that of the DMA solution may be due to interactions between unlike molecules are more important when DMF is involved, as the amide group is less sterically hindered.…”

Section: Discussionmentioning

confidence: 99%

“…These features make suitable the study of amide + alkanone mixtures, which must be taken into account within a general experimental and theoretical research of liquid mixtures containing the functional groups carbonyl, amine or amide. In a previous work, we have provided data on density,  , speeds of sound, c, and refractive indices, D n , at (293.15-303.15) K for DMF systems with u = 1,2,3 and at 298.15 K for the solution with u = 5 [13]. As a continuation of this research, we report now similar data for binary mixtures containing N,Ndimethylacetamide (DMA) and the same 2-alkanones over the same temperature range.…”

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confidence: 99%

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Thermodynamics of amide + ketone mixtures. 2. Volumetric, speed of sound and refractive index data for N,N-dimethylacetamide + 2-alkanone systems at several temperatures. Application of Flory's model to tertiary amide +n-alkanone systems

Cobos

González

Hevia

et al. 2017

Journal of Molecular Liquids

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of amide+ketone mixtures. 2. Volumetric, speed of sound and refractive index data for N,N-dimethylacetamide+2-alkanone systems at several temperatures. Application of Flory's model to tertiary amide+n-alkanone systems. AbstractData on density,  , speed of sound, c, and refractive index, D n , have been reported at (293-303.15) K for the N,N-dimethylacetamide (DMA)+ CH 3 CO(CH 2 ) u-1 CH 3 (u = 1,2,3) systems, and at 298.15 K for the mixture with u = 5. These data have been used to compute excess molar volumes, E m V , excess adiabatic compressibilities, E S  , and excess speeds of sound E c . Negative E m V values indicate the existence of structural effects and interactions between unlike molecules. From molar excess enthalpies, E m H , available in the literature for N,Ndimethylformamide (DMF), or N-methylpyrrolidone (NMP) + n-alkanone systems, it is shown: (i) amide-ketone interactions are stronger in DMF systems than in those with NMP; (ii) they become weaker when u increases in mixtures with a given amide. Structural effects largely contribute to E m H and are more relevant in mixtures containing NMP. The application of the Flory's model reveals that the random mixing hypothesis is valid in large extent for DMF solutions, while NMP systems are characterized by rather strong orientational effects. From values of molar refraction and of the product int P m V (where int P is the internal pressure and mV the molar volume), it is concluded that dispersive interactions increase with u, or when DMF is replaced by DMA in mixtures with a fixed ketone. 1.amides makes also very interesting their theoretical study [11]. In the case of N,Ndialkylamides, due to the lack of hydrogen-bonds, this has been attributed to the existence of strong dipolar interactions [10,12].2-Alkanones, (CH 3 CO(CH 2 ) u-1 CH 3 ) are polar, aprotic compounds and hydrogen bonds acceptors, used as solvents for plastics and some synthetic fibers or as intermediates in the obtention of very important compounds (e.g., methyl methacrylate). They have also an essential role in biochemistry, as many sugars are ketones, and fatty acid synthesis proceeds via these compounds. These features make suitable the study of amide + alkanone mixtures, which must be taken into account within a general experimental and theoretical research of liquid mixtures containing the functional groups carbonyl, amine or amide. In a previous work, we have provided data on density,  , speeds of sound, c, and refractive indices, D n , at (293.15-303.15) K for DMF systems with u = 1,2,3 and at 298.15 K for the solution with u = 5 [13]. As a continuation of this research, we report now similar data for binary mixtures containing N,Ndimethylacetamide (DMA) and the same 2-alkanones over the same temperature range. In order to complete our study, data available in the literature on N-methylpyrrolidone (NMP) + nalkanone systems are also considered [14][15][16][17]. This allows examine the dependence of thermophysical properties on the size and shape of the amide in systems with a...

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Section: Refractive Indicesmentioning

confidence: 74%

Section: Discussionmentioning

confidence: 88%

Section: Discussionmentioning

confidence: 93%

Section: Discussionmentioning

confidence: 99%

mentioning

confidence: 99%

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Thermodynamics of amide + ketone mixtures. 2. Volumetric, speed of sound and refractive index data for N,N-dimethylacetamide + 2-alkanone systems at several temperatures. Application of Flory's model to tertiary amide +n-alkanone systems

Cobos

González

Hevia

et al. 2017

Journal of Molecular Liquids

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SAFT-VR-Mie with an incorporated polar term for accurate holistic prediction of the thermodynamic properties of polar components

Cripwell

Schwarz

Burger

2018

Fluid Phase Equilibria

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Thermodynamics of mixtures containing a very strongly polar compound. 12. Systems with nitrobenzene or 1-nitroalkane and hydrocarbons or 1-alkanols

González

Hevia

Sanz

et al. 2018

Fluid Phase Equilibria

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Mixtures involving nitrobenzene and hydrocarbons, or 1-alkanols and 1-nitroalkane, or nitrobenzene have been investigated on the basis of a whole set of thermophysical properties available in the literature. The properties considered are: excess molar functions (enthalpies, entropies, isobaric heat capacities, and volumes), vapour-liquid and liquid-liquid equilibria, permittivities or dynamic viscosities. In addition, the mixtures have been studied by means of the application of the DISQUAC, ERAS, and UNIFAC models, and using the formalism of the concentration-concentration structure factor. The corresponding interaction parameters in the framework of the DISQUAC and ERAS models are reported. In alkane mixtures, dipolar interactions between 1-nitroalkane molecules are weakened when the size of the polar compound increases, accordingly with the relative variation of their effective dipolar moment. Dipolar interactions are stronger in nitrobenzene solutions than in those containing the smaller 1-nitropropane, although both nitroalkanes have very similar effective dipole moment (aromaticity effect). Systems with 1-alkanols are characterized by dipolar interactions between like molecules which sharply increases when the alkanol size increases. Simultaneously, interactions between unlike molecules become weaker, as the OH group is then more sterically hindered. Interactions between unlike molecules are stronger in systems with nitromethane than in nitrobenzene solutions. The replacement of nitromethane by nitroethane in systems with a given 1-alkanol leads to strengthen those effects related with the alcohol self-association. Permittivity data and results on Kirkwood's correlation factors show that the addition of 1alkanol to a nitroalkane leads to cooperative effects, which increase the dipolar polarization of the solution, in such way that the destruction of the existing structure in pure liquids is partially counterbalanced. This effect is less important when longer 1-alkanols are involved.

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Thermodynamics of amide+ketone mixtures. 1. Volumetric, speed of sound and refractive index data for N,N-dimethylformamide+2-alkanone systems at several temperatures

Cited by 8 publications

References 89 publications

Thermodynamics of amide + ketone mixtures. 2. Volumetric, speed of sound and refractive index data for N,N-dimethylacetamide + 2-alkanone systems at several temperatures. Application of Flory's model to tertiary amide +n-alkanone systems

Thermodynamics of amide + ketone mixtures. 2. Volumetric, speed of sound and refractive index data for N,N-dimethylacetamide + 2-alkanone systems at several temperatures. Application of Flory's model to tertiary amide +n-alkanone systems

SAFT-VR-Mie with an incorporated polar term for accurate holistic prediction of the thermodynamic properties of polar components

Thermodynamics of mixtures containing a very strongly polar compound. 12. Systems with nitrobenzene or 1-nitroalkane and hydrocarbons or 1-alkanols

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