Dielectric relaxation of binary mixtures of alcohols with acrylic esters

Dharmalingam, K.; Ramachandran, K.; Sivagurunathan, Periyasamy; Undre, B. Prabhakar; Khirade, P. W.; Mehrotra, S. C.

doi:10.1002/app.27384

Cited by 13 publications

(3 citation statements)

References 25 publications

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“…The amount of experimental work in this area is significant and includes systems such as alcohol/water, − glycine/water, , DMSO/alcohol, and mixtures of acetone, DMSO, and isopropanol . Other authors have investigated the dielectric response of aqueous solutions of α- d -glucose, , lysine, and nucleotides, mixtures of acrylic esters and alcohols, ionic liquids in water and ethanol, and p -fluorophenyl acetonitile/2-butylphenol and 2-chlor-6-fluoro-benzaldehyde/ o -ethylphenol systems . Mixtures of polar and nonpolar molecules such as ethanol and benzene have also received some attention in the literature. − …”

Section: Introductionmentioning

confidence: 99%

Molecular Dynamics Investigation of the Influence of the Hydrogen Bond Networks in Ethanol/Water Mixtures on Dielectric Spectra

2018

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The dielectric response of fluids to electromagnetic radiation in the microwave region originates from processes occurring at the molecular level. Understanding these processes in more detail is relevant to many fields, such as microwave heating, fluid mixing, and separation technologies. In this work, we use molecular dynamics (MD) simulations to study the dielectric spectra of ethanol/water mixtures. We compare our predictions with experimental results at different compositions. We show how the dielectric response can be estimated to a high level of accuracy using three dielectric relaxations: a dominant and slower process at microwave frequencies and two faster processes. A deeper study of the dynamics of the hydrogen bond network formed in these systems reveals how collective processes between the individual species are the origin of the final dielectric response. Our results agree with the "wait-and-switch" mechanism, which describes the dynamics of the hydrogen bond network as the combination of two processes: the fast breakage and formation of individual hydrogen bonds and the subsequent reorganization of the entire network once this process becomes energetically favorable. Since the dielectric response is related to dipole reorientations in the system, it is directly linked to these mechanisms.

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Section: Introductionmentioning

confidence: 99%

Molecular Dynamics Investigation of the Influence of the Hydrogen Bond Networks in Ethanol/Water Mixtures on Dielectric Spectra

2018

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“…For the system diethyl phthalate isobutanol value of F E jj is positive and increases with concentration and is maximum when X B is about 50%. This shows the breakage of Hbonding [23]. After this, F decreases.…”

Section: δFmentioning

confidence: 86%

Effective Average Correlation Factor and Excess Permittivity for Dielectric Studies on Binary Systems of Phthalates with Alcohols and Nitriles

Umamaheshwari¹,

Kumar²,

Subramanian³

2018

IJSRPAS

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The determination of the structure and properties of associated liquids could provide deeper insight into the phenomenon of the molecular interactions and is of great importance in biology and chemical physics. Dielectric constant measurements have been extensively used to obtain the electric dipole moment of molecules with the object of determining the polarities of their bonds, geometrical structures of the molecules and significant shifts of the electric charge in them. Dielectric parameters such as Kirkwood correlation factor, effective correlation factor, corrective correlation factor and thermo dynamical excess parameters for a mixture of diethyl phthalate with isobutanol and benzonitrile were determined at 303 k, 313 k and 323 k. The results were interpreted accordingly.

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“…The dielectric relaxation behaviour of mixtures of polar molecules under varying conditions of compositions is very important as it helps in obtaining information about relaxation process in mixtures. There have been several investigations on the dielectric behaviour of solvent mixtures in which dielectric relaxation spectra have been used to examine molecular orientations, hydrogen bonded networks, and microdynamics of these systems [1][2][3][4][5][6][7][8][9][10][11][12].…”

Section: Introductionmentioning

confidence: 99%

Dielectric studies on binary mixtures of formamide with ethanolamine using the time domain technique

Undre¹,

Khirade²,

Jagdale³

et al. 2011

Lith. J. Phys.

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Dielectric relaxation measurements on formamide (FA) -ethanolamine (ETA) solvent mixtures have been carried out across the entire concentration range using time domain reflectometry technique at 15, 25, 35, and 45• C over the frequency range from 10 MHz to 10 GHz. The mixtures exhibit a principle dispersion of the Davidson-Cole relaxation type at microwave frequencies. Bilinear calibration method is used to obtain complex permittivity ε * (ω) from complex reflection coefficient ρ * (ω) over the frequency range 10 MHz to 10 GHz. The excess permittivity ε E , excess inverse relaxation time (1/τ ) E , Kirkwood correlation factor g eff , and thermodynamic parameters such as Gibbs energy of activation ∆G and molar enthalpy of activation ∆H are also calculated to study the solute-solvent interaction.

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Dielectric relaxation of binary mixtures of alcohols with acrylic esters

Cited by 13 publications

References 25 publications

Molecular Dynamics Investigation of the Influence of the Hydrogen Bond Networks in Ethanol/Water Mixtures on Dielectric Spectra

Molecular Dynamics Investigation of the Influence of the Hydrogen Bond Networks in Ethanol/Water Mixtures on Dielectric Spectra

Effective Average Correlation Factor and Excess Permittivity for Dielectric Studies on Binary Systems of Phthalates with Alcohols and Nitriles

Dielectric studies on binary mixtures of formamide with ethanolamine using the time domain technique

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