A New Model for Evaluating Interactions in Liquids

Ho, Nam-Tran

doi:10.1021/j100071a029

Cited by 22 publications

(6 citation statements)

References 7 publications

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“…In addition, some specific acid−base interaction can be assumed in the case of amide alcohol mixture. 43 The second factor is related to the attribution of more favorable packing and geometrical fitting of smaller molecules into the voids of larger ones. 44 In Figure 2, the behavior of excess isentropic compressibility with mole fraction of DMA is shown.…”

Section: ■ Results and Discussionmentioning

confidence: 99%

“…First, one consists on the predominance of attractive forces in the mixture, such as charge transfer, dipole–dipole, and hydrogen bonding interactions, leading to complex formation between unlike molecules, which is responsible for negative contributions. In addition, some specific acid–base interaction can be assumed in the case of amide alcohol mixture . The second factor is related to the attribution of more favorable packing and geometrical fitting of smaller molecules into the voids of larger ones …”

Section: Resultsmentioning

confidence: 99%

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Density, Speed of Sound, Refractive Index, and Viscosity of the Binary Mixtures of N,N-dimethylacetamide with Methanol and Ethanol

et al. 2016

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The thermophysical behavior of the binary mixtures N,Ndimethylacetamide + methanol and N,N-dimethylacetamide + ethanol has been studied through the measurement of density, ρ, speed of sound, u, refractive index, n D , and kinematic viscosity, ν, over the entire mole fraction range at the temperatures of 283.15, 298.15 and 313.15 K and at p = 99.0 kPa. Excess volumes, V E , excess isentropic compressibilities,κ S E , refractive index deviations, Δn D , and viscosity deviations, Δη, were also calculated and correlated with the Redlich−Kister equation. Both systems present negative excess volumes and excess isentropic compressibilities and positive refractive index deviations in the whole composition range. The viscosity deviations are positive for N,N-dimethylacetamide + methanol and turn to negative for N,N-dimethylacetamide + ethanol. Moreover, both systems behave differently when temperature is raised. The experimental results were interpreted based on strength of specific interactions, size, and shape of molecules.

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Section: ■ Results and Discussionmentioning

confidence: 99%

Section: Resultsmentioning

confidence: 99%

Density, Speed of Sound, Refractive Index, and Viscosity of the Binary Mixtures of N,N-dimethylacetamide with Methanol and Ethanol

et al. 2016

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“…They have been chosen because of their interaction parameters, which are partially published (Table 3). In addition, their experimental mixing energies with tert-butanol have also been published, 18 and these are indispensable for the subsequent comparison of the theoretical and experimental interaction energies (Table 11).…”

Section: ■ Discussionmentioning

confidence: 99%

“…From ref , the nine mixing energies of tert -butanol −Δ E mix(i,j) in the nine-selected solvents were obtained.…”

Section: Theoretical Section and Calculationmentioning

confidence: 99%

Comparison of Theory and Practice in the Framework for Quantifying Interaction Capacity through Six Interaction Parameters Using tert-Butanol as a Target Molecule

Buchmann

2020

ACS Omega

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Molecular interactions are important for various areas of research. Interactions between a target molecule and probe molecules having their own interaction capacity can be quantified via six interaction parameters. The theoretical interaction energy can be calculated from the interaction parameters, while that of experimental is measured using a calorimeter. These two methods are proposed in this work to calculate them. The first is based on an equation linking Hansen's and Drago's parameters. The second method is based on an experimental matrix formed by the interaction energies of tert-butanol with the probe molecules characterized by their six interaction parameters. Finally, the quality of the experiment matrix is checked for the effectiveness of the six experimental interaction parameters of the target molecule, which is tert-butanol. Then, these experimental values are compared with theoretical values from interaction parameters.

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“…[16][17] Due to the presence of acid-base interactions between DEM and FA, DMF and DMA molecules, V E values are negative. The importance of acid-base interactions between t-butyl alcohol and N,Ndimethylformamide and N,N-dimethylacetamide were predicted by Nam-Tran 18 to assess the interactions of lewis acid-base system. To explain the nature of intermolecular interaction among amides chosen for study i.e (FA, DMF and DMA) assumed as lewis bases and diethyl malonate as lewis acid.…”

Section: Excess Molar Volume (V E )mentioning

confidence: 99%

Thermo-Physical, Spectral Evaluation of Molecular Interactions in Liquid Binaries of Diethyl Malonate and Amides at Temperatures (303.15, 308.15, 313.15, 318.15) K

Udayalakshmi¹,

Beebi²,

Sri³

et al. 2020

RJC

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The velocity and density of binary mixtures of diethyl malonate with formamide, dimethylformamide and dimethylacetamide were experimentally measured at temperatures (303.15, 308.15, 313.15, 318.15)K. Various acoustic and thermodynamic parameters were evaluated using experimental data, the results have been discussed based on molecular interactions and geometric effects of the components in the mixture. FT-IR spectral analysis gives evidence of molecular association.

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A New Model for Evaluating Interactions in Liquids

Cited by 22 publications

References 7 publications

Density, Speed of Sound, Refractive Index, and Viscosity of the Binary Mixtures of N,N-dimethylacetamide with Methanol and Ethanol

Density, Speed of Sound, Refractive Index, and Viscosity of the Binary Mixtures of N,N-dimethylacetamide with Methanol and Ethanol

Comparison of Theory and Practice in the Framework for Quantifying Interaction Capacity through Six Interaction Parameters Using tert-Butanol as a Target Molecule

Thermo-Physical, Spectral Evaluation of Molecular Interactions in Liquid Binaries of Diethyl Malonate and Amides at Temperatures (303.15, 308.15, 313.15, 318.15) K

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