36 results on '"Dubey, Gyan Prakash"'
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2. Thermodynamic and Physicochemical Studies of Binary Mixtures of 1-Propoxy-2-Propanol with Amines at Different Temperatures.
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Dhingra, Likhish and Dubey, Gyan Prakash
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BINARY mixtures , *INTERMOLECULAR interactions , *LIQUID mixtures , *SPEED of sound , *AMINES , *INFRARED spectroscopy - Abstract
In the present study, intermolecular interactions for binary liquid mixtures of 1-propoxy-2-propanol with amines namely diisopropylamine, dibutylamine and tributylamine have been examined through experimentally measured values of density (ρ ), speed of sound (u) and viscosity (η ). Measurements were carried out over entire the composition range and temperature range from 298.15 to 308.15 K. Various excess and deviation parameters have been calculated using measured data. These excess and deviation properties have been discussed in terms of intermolecular interactions in the mixtures. The presence of strong intermolecular interactions among unlike molecules in binary mixtures of 1-propoxy-2-propanol with diisopropylamine and dibutylamine while weak interactions in case of tributylamine have been revealed by these properties. Excess and deviation properties have been correlated with composition using Redlich–Kister polynomial. The Jouyban–Acree model was used to correlate the measured data with composition. Further, studies on Fourier-transform infrared spectroscopy were also carried out at room temperature. [ABSTRACT FROM AUTHOR]
- Published
- 2023
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- View/download PDF
3. Thermodynamic and spectral studies of molecular interactions in binary liquid mixtures of 1-butoxy-2-propanol with amines at different temperatures.
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Dhingra, Likhish and Dubey, Gyan Prakash
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BINARY mixtures , *LIQUID mixtures , *MOLECULAR interactions , *SPEED of sound , *AMINES , *INTERMOLECULAR interactions - Abstract
Binary liquid mixtures of 1-butoxy-2-propanol with amines namely diethylamine, dipropylamine and triethylamine have been discussed in the present discussion. Measurements of density and speed of sound of pure liquids and their binary mixtures have been carried out over the entire composition range and temperatures (298.15, 303.15 and 308.15) K. To study the thermodynamic behaviour of these liquid mixtures, various parameters were calculated using the experimentally measured data. Strong intermolecular interactions among the components of binary liquid mixtures were confirmed by calculated parameters. Various excess and deviation properties were correlated to composition using the Redlich–Kister polynomial. Further, density and speed of sound data were correlated with composition using Jouyban–Acree model. The experimental results have been analysed by using Prigogine–Flory–Patterson (PFP) theory. 1H-NMR spectra of binary mixtures at equimolar composition has also been studied. [ABSTRACT FROM AUTHOR]
- Published
- 2023
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- View/download PDF
4. Molecular interaction study using density, viscosity, speed of sound and FT-IR in 2-methyl-2-butanol + alkoxyethanols: Experimental and modelling approach.
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Dubey, Gyan Prakash and Singh, Rachana
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LIQUID mixtures , *VISCOUS flow , *SPEED of sound , *GIBBS' free energy , *BINARY mixtures , *THERMOPHYSICAL properties - Abstract
• The thermophysical properties of binary mixtures of 2-methyl-2-butanol with alkoxy ethanols viz., 2-ethoxyethanol, 2-propoxyethanol and 2-butoxyethanol. • The values of V m E are negative for all binary mixtures representing the attractive interactions. • Theoretical analysis of V m E has also been done using the Prigogine–Flory–Patterson theory. • All the excess and deviation parameters have been correlated to the composition with the help of Redlich-Kister type polynomial. • FT-IR spectra of these liquid mixtures have also been studied. In this article, the intermolecular interactions in the binary liquid mixtures of 2-methyl-2-butanol with alkoxyethanols viz., 2-ethoxyethanol, 2-propoxyethanol and 2-butoxyethanol have been interpreted using thermophysical properties. Density (ρ), viscosity (η) and speed of sound (u) of pure components and their binary mixtures have been measured over the entire range of composition at 298.15, 303.15 and 308.15 K and at pressure p = 0.10 MPa. The experimental data were used to calculate the thermophysical properties such as excess molar volume (V m E), excess molar isentropic compressibility (K s , m E), excess speed of sound ( u E), deviation in viscosity (Δ η) and excess Gibbs free energy of activation for viscous flow (Δ G ∗ E ). The changes in these properties with composition and temperature of the liquid mixtures were discussed in terms of intermolecular interactions. Also, the effect of increase in alkyl chain length of alkoxyethanol molecule on these properties has been studied. The excess functions and their deviations have been correlated using Redlich-Kister type polynomial equation. The experimentally measured values of viscosities have been correlated with various semi-empirical relations such as Grunberg-Nissan, Tamura-Kurata, Hind et al., Katti-Chaudhri, McAllister's two parameter model, Heric-Brewer and McAllister's three parameter model. Apart from this, Prigogine-Flory-Patterson (PFP) theory has been used for the estimation of V m E values for studied binary mixtures. FT-IR spectra of these liquid mixtures have also been studied. [ABSTRACT FROM AUTHOR]
- Published
- 2024
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5. Thermodynamic and spectroscopic investigations on binary liquid mixtures containing tri-n-butylamine with 2-alkanols.
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Dubey, Gyan Prakash, Rani, Seema, and Kaur, Prabjot
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BINARY mixtures , *LIQUID mixtures , *MOLECULAR volume , *SPEED of sound , *FOURIER transform infrared spectroscopy , *PROPANOLS - Abstract
Experimental thermodynamic and spectroscopic investigations on binary liquid mixtures containing tri-n-butylamine with 2-propanol, 2-butanol and 2-pentanol have been discussed in this article. The aforesaid binary mixtures have been examined over the entire range of composition at a temperature range of 293.15–308.15 K with a temperature step of 5 K and at 0.1 MPa pressure. To explore the mixtures thermodynamically, the density ( ρ) and speed of sound (u) at various compositions and temperatures have been measured. Experimental values of these two properties have been used to find out various thermodynamic parameters, viz., excess molar volumes ( V m E ), excess isentropic compressibilities ( κ s E ), apparent molar volumes ( V φ ), partial molar volumes ( V ˉ m ), excess partial molar volumes ( V ˉ m E ) and partial molar volumes at infinite dilution ( V ˉ m E , ∞ ). These parameters are analysed in terms of form and degree of unlike interactions. Along with this, these parameters are also examined to figure out the effect of chain length and temperature on interactions. Further, the computed excess parameters have also been correlated with the compositions using the Redlich–Kister-type polynomial. Similar to excess parameters, the density and speed of sound have also been correlated to compositions using the Jouyban–Acree model. Apart from this, the mixtures were also analysed using FTIR spectroscopy studies. [ABSTRACT FROM AUTHOR]
- Published
- 2022
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6. Probing the Intermolecular Interactions in Binary Liquid Mixtures of 1-Tert-butoxy-2-propanol with Amines Through Volumetric, Ultrasonic and FT-IR Spectroscopic Studies at Different Temperatures.
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Dubey, Gyan Prakash and Dhingra, Likhish
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LIQUID mixtures , *BINARY mixtures , *SPEED of sound , *AMINES , *ULTRASONICS - Abstract
In the present discussion, thermodynamic and spectral behaviour of binary mixtures of 1-tert-butoxy-2-propanol with amines namely dipropylamine, diethylamine and triethylamine have been studied. To achieve the objectives, density (ρ ) and speed of sound (u) of selected liquids and their binary mixtures were measured over entire composition range and different temperatures (298.15, 303.15 and 308.15) K. Using the experimentally measured data, various excess properties were computed. Variation of these properties with composition has been discussed in terms of intermolecular interactions. Presence of strong intermolecular interactions has been confirmed by these excess and deviation properties. Magnitude of these parameters reflects the order of interaction among these liquid mixtures. Using the Redlich–Kister polynomial equation, these excess properties were correlated with composition. Further, density and speed of sound values of these binary mixtures were correlated with composition using Jouyban-Acree model. FT-IR spectra of these liquid mixtures have also been recorded. Spectral analysis of these mixtures also confirms the presence of strong intermolecular interactions in studied liquid mixtures. [ABSTRACT FROM AUTHOR]
- Published
- 2022
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7. Thermodynamic and Spectral Investigation of Binary Liquid Mixtures Of 2-Isopropoxy Ethanol with Amines at (298.15, 303.15 and 308.15) K.
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Dubey, Gyan Prakash and Dhingra, Likhish
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VISCOUS flow , *SPEED of sound , *BINARY mixtures , *AMINES , *LIQUID mixtures , *HYDROGEN bonding , *GIBBS' free energy , *ETHANOL - Abstract
Experimental values of density (ρ ), speed of sound (u) and viscosity (η ) of binary mixtures of 2-isopropoxy ethanol with dipropylamine, diethylamine and triethylamine at temperatures (298.15, 303.15 and 308.15) K are reported. Various excess and deviation properties were calculated using these experimentally measured values. A stronger solute–solvent interaction compared to solute–solute or solvent–solvent interactions, due to formation of hydrogen bonding is confirmed by the trends of these parameters. The excess and deviation properties were correlated with composition using Redlich–Kister polynomial. Density, speed of sound and viscosity data were correlated to composition using Jouyban–Acree model. Further, change in enthalpy ( Δ H ∗ ) and change in entropy ( Δ S ∗ ) of viscous flow were calculated using the viscosity data. Various semi-empirical models of viscosity were tested. The correlation ability of tested models increases with increase in the number of adjustable parameters. FT-IR spectra of these mixtures also support the results obtained from calculated parameters. [ABSTRACT FROM AUTHOR]
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- 2022
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8. Theoretical Interpretation of Thermophysical Properties and Their Correlation with Intermolecular Interactions in Binary Liquid Mixtures of 2-(2-Butoxyethoxy) Ethanol with Amines.
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Dubey, Gyan Prakash and Dhingra, Likhish
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LIQUID mixtures , *THERMOPHYSICAL properties , *BINARY mixtures , *INTERMOLECULAR interactions , *VISCOUS flow - Abstract
In continuation to our previous publication, non-ideal behavior of 2-(2-butoxyethoxy) ethanol with amines namely dipropylamine, diethylamine and triethylamine has been discussed in present communication. Herein, the values of excess molar volume ( V m E ) calculated using Prigogine–Flory–Patterson theory have been compared with the experimental values. Using the density and speed of sound data, excess acoustic impedance ( Z E ) and excess intermolecular free length ( L f E ) have been computed. Various semi-empirical purposed relations of viscosity have also been tested. Their correlation ability has been compared using standard deviation values. Change in the enthalpy ( Δ H ) and change in the entropy ( Δ S ) of activation of viscous flow have been calculated to study to thermodynamic of viscous flow. Jouyban–Acree model was used to correlate density, speed of sound and viscosity with composition. 1H NMR spectra of binary liquid mixtures have also been studied at equimolar composition and interpretation in terms of chemical shift (δ ) has been discussed. [ABSTRACT FROM AUTHOR]
- Published
- 2021
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9. Thermodynamic, acoustic and spectroscopic studies in binary liquid mixtures containing amine and alcohol.
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Dubey, Gyan Prakash and Rani, Seema
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LIQUID mixtures , *BINARY mixtures , *SPEED of sound , *MOLECULAR volume , *GLYCINE , *ATMOSPHERIC pressure - Abstract
Densities and speeds of sound for the binary liquid mixtures of tri-n-butylamine with three solvents, namely 1-propanol, 1-butanol and 1-pentanol are measured. The measurements were done over the entire composition range at temperatures from 293.15 to 308.15 K with an interval of 5 K and at atmospheric pressure. Experimental data were used to calculate various thermodynamic parameters like excess molar volumes ( V m E ), excess isentropic compressibilities ( κ s E ), deviations in speed of sound ( u D ), apparent molar volumes ( V φ ), partial molar volumes ( V ˉ m ) and excess partial molar volumes ( V ˉ m E ). Intermolecular interactions present in these mixtures were studied with the help of the calculated data. Studies on Fourier-transform infrared spectroscopy were also done to support the conclusions. Redlich–Kister type polynomial was used to correlate the various excess and deviation parameters to the compositions. Further, the Jouyban–Acree model was used to correlate densities and speeds of sound data with the compositions. [ABSTRACT FROM AUTHOR]
- Published
- 2021
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10. Acoustic, volumetric and spectral studies of binary liquid mixtures of aliphatic dialkylamine and 2-alkanols at different temperatures.
- Author
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Dubey, Gyan Prakash, Rani, Seema, and Kumar, Harsh
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BINARY mixtures , *SPEED of sound , *AMINES , *BUTANOL , *THERMODYNAMICS , *FOURIER transform infrared spectroscopy - Abstract
Highlights • Binary mixtures containing amine with alkanol were investigated using volumetric, acoustic and spectral techniques. • Various excess and deviation properties were computed. • Interactions present between unlike molecules were discussed. Abstract This article reports experimental densities ρ and speeds of sound (u) for the binary mixtures of di-n-butylamine and diisopropylamine with 2-butanol and 2-pentanol at a temperature range of (293.15–308.15) K with a temperature step of 5 K over entire composition range and at atmospheric pressure. Various thermodynamic parameters have been calculated using experimental data of densities and speeds of sound. The different parameters calculated are excess molar volume V m E , excess isentropic compressibilities κ s E , deviations in speed of sound u D , apparent molar volumes V ϕ , partial molar volumes V ¯ m , excess partial molar volumes V ¯ m E excess intermolecular free lengths L f E and excess acoustic impedance Z E . These parameters have been analysed in terms of nature and extent of intermolecular interactions. Effects of temperature, chain length and branching on intermolecular interactions have also been examined. Apart from this, FT-IR spectroscopy technique has also used to find more support for the results obtained from the calculated thermodynamic parameters. All the calculated properties have been correlated using Redlich-Kister type polynomial equation by the method of least-squares for the estimation of the binary coefficients and the standard deviations. [ABSTRACT FROM AUTHOR]
- Published
- 2019
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11. FT-IR studies and excess thermodynamic properties of binary liquid mixtures 2-(2-butoxyethoxy) ethanol with 1-hexanol, 1-octanol and 1-decanol at different temperatures.
- Author
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Kaur, Prabjot and Dubey, Gyan Prakash
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FOURIER transform infrared spectroscopy , *THERMODYNAMIC equilibrium , *BINARY mixtures , *INTERMOLECULAR interactions , *ALCOHOLS (Chemical class) , *PERFORMANCE of spectrometers , *SIGNAL-to-noise ratio - Abstract
In continuation to our prior investigational studies on the interactions between binary mixtures of alkoxy alkanols and alcohols, here, we report the thermo-physical properties and spectra analysis of 2-(2-butoxyethoxy) ethanol with CH 3 (CH 2 ) 3 OC 2 H 4 O(CH 2 ) 2 OH, viz., 1-hexanol CH 3 (CH 2 ) 5 OH, 1-octanol CH 3 (CH 2 ) 7 OH and 1-decanol CH 3 (CH 2 ) 9 OH over the entire composition range at T = (293.15, 298.15, 303.15, 308.15 and 313.15) K. The experimental data of densities and speeds of sound were used to calculate the values of excess functions and deviations in properties. The evaluated properties from experimental data have been construed in terms of the difference in the size of the molecule as well as the strength of specific and non-specific interactions between components of the mixture. The excess functions and their deviations have also been correlated using Redlich-Kister type polynomial equation by the method of least-squares for the estimation of the binary coefficients and the standard deviations. The FT-IR technique has been used to scrutinize the –OH interactions between the binary mixtures and inestimable to spot the influence on the structural variation in the alcohols. [ABSTRACT FROM AUTHOR]
- Published
- 2018
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12. Influence of alkyl chain length and temperature on the densities, viscosities and speeds of sound of binary liquid mixtures of {2-methyl-1-butanol + 2-ethoxyethanol, or 2-propoxyethanol, or 2-butoxyethanol} at T = (298.15, 303.15 and 308.15) K.
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Dubey, Gyan Prakash and Singh, Rachana
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BINARY mixtures , *LIQUID mixtures , *SPEED of sound , *VISCOSITY , *VISCOUS flow , *THERMOPHYSICAL properties , *MOLECULAR volume - Abstract
• The thermophysical properties of binary mixtures of 2-methyl-1-butanol with alkoxy ethanols viz., 2-ethoxyethanol, 2-propoxyethanol and 2-butoxyethanol. • The values of V m E are negative for all binary mixtures representing the attractive interactions. • Theoretical analysis of V m E has also been done using the Prigogine–Flory–Patterson theory. • All the excess and deviation parameters have been correlated to the composition with the help of Redlich-Kister type polynomial. • Using viscosity data of binary liquid mixtures, various semi-empirical relations of viscosity were tested. Density (ρ), viscosity (η) and speed of sound (u) of pure components and binary mixtures of 2-methyl-1-butanol with alkoxyethanols viz., 2-ethoxyethanol, 2-propoxyethanol and 2-butoxyethanol have been measured over the entire range of composition at different temperatures T = (298.15, 303.15 and 308.15) K. Using the experimental data various thermophysical properties such as excess molar volume (V m E), excess molar isentropic compressibility (K s , m E), excess speed of sound (u E), deviation in viscosity (Δη) and excess Gibb's free energy of activation for viscous flow (Δ G ∗ E ) have been calculated. The excess or deviation properties used to define the molecular interactions between like and unlike components. Further, the values of excess and deviation properties have been fitted to the Redlich-Kister polynomial equation. The measured viscosities have been correlated with various semi-empirical relations such as Grunberg-Nissan, Tamura-Kurata, Hind et al., Katti-Chaudhri, McAllister (three body interaction) model, Heric-Brewer and McAllister (four body interaction) model. Apart from this, Prigogine–Flory–Patterson (PFP) theory is also used for the estimation of V m E values for studied binary mixtures. [ABSTRACT FROM AUTHOR]
- Published
- 2023
- Full Text
- View/download PDF
13. Studies of mixing properties of binary systems of di-n-butylamine with alkanols at T = (293.15, 298.15, 303.15, 308.15 and 313.15) K.
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Dubey, Gyan Prakash, Rani, Seema, and Kaur, Prabjot
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BINARY metallic systems , *ALCOHOLS (Chemical class) , *BINARY mixtures , *PROPANOLS , *PENTANOL , *ATMOSPHERIC pressure , *MOLECULAR volume - Abstract
This article reports experimental density ( ρ ) and speed of sound ( u ) of binary mixtures containing di-n-butyl amine with 1-propanol, 1-butanol, 1-pentanol, 2-propanol over entire composition range at temperature ranging from 293.15 K to 313.15 K and at atmospheric pressure. Excess molar volume ( V m E ), excess isentropic compressibility ( κ s E ), and deviation in speed of sound ( u D ) have been calculated using experimental densities and speeds of sound values at all temperatures. Along with these properties, apparent molar volume ( V φ , i ), partial molar volume ( V ¯ m , i ), excess partial molar volume ( V ¯ m , i E ) and excess partial molar volume at infinite dilution ( V ¯ m , i E , ∞ ) have also been calculated. All the calculated excess properties are analyzed in terms of effect of chain length, position of OH group and effect of temperature on the intermolecular interactions. Redlich-Kister type polynomial is used to correlate the calculated excess and deviation properties to the composition. Correlation is done using method of least squares for the estimation of binary coefficients and standard errors. Further, PFP theory is also used to calculate V m E and have been compared with experimental results. [ABSTRACT FROM AUTHOR]
- Published
- 2017
- Full Text
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14. Thermo physical and FT-IR study on binary mixtures of 2-isopropoxy ethanol and alcohols at different temperatures.
- Author
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Kaur, Prabjot and Dubey, Gyan Prakash
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ALCOHOLS (Chemical class) , *BINARY mixtures , *ETHANOL , *FOURIER transform infrared spectroscopy , *MOLECULAR volume - Abstract
As a continuation to our investigations on thermodynamic properties of binary mixtures of alkoxy alkanols with alcohols, the present paper reports the experimental data for the densities, speeds of sound and viscosities for the binary mixtures of 2-isopropoxy ethanol with alcohols. Densities and speeds of sound of 2-isopropoxy ethanol (CH 3 ) 2 CH 2 OC 2 H 4 OH and alcohols namely1-hexanol C 6 H 14 O, 1-octanol C 8 H 18 O and 1-decanol C 10 H 22 O and their binary mixtures with 2-isopropoxy ethanol as a common component have been measured over the full range of composition at atmospheric pressure and at different temperatures 293.15, 298.15, 303.15, 308.15 and 313.15 K and viscosities have also been measured at 298.15, 303.15 and 308.15 K over the full range composition. The experimental data were used to calculate the values of excess molar volumes V m E , deviations in isentropic compressibility Δ κ s , deviations in speed of sound Δ u , deviations in viscosity Δ η and excess Gibbs free energies Δ G ∗ E at all mole fractions of (CH 3 ) 2 CH 2 OC 2 H 4 OH. The observed variations of these parameters with composition and temperature are discussed in terms of the molecular interactions due to physical and chemical effects between the unlike molecules of the binary mixtures. Further, experimental densities were used to estimate partial molar volumes V ¯ m , 1 , excess partial molar volumes V ¯ m , 1 E and their limiting values at infinite dilution V ¯ m , i ∞ and V ¯ m , i E , ∞ , respectively. These parameters, especially excess functions are found to be quite sensitive towards the intermolecular interactions in liquid mixtures. The excess functions and deviations have also been correlated using Redlich-Kister type polynomial equation by the method of least-squares for the estimation of the binary coefficients and the standard errors. A study of above discussed parameters is used to throw light on the interactions existing between the constituents of the binary mixtures. FT-IR technique has been used to scrutinize the –OH interactions between the binary mixtures and is very valuable to spot the influence on the structural variation in the alcohols. [ABSTRACT FROM AUTHOR]
- Published
- 2017
- Full Text
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15. Studies of volumetric, viscometric and molar properties of diisopropyl amine with 1-alkanols (C6–C10) at different temperatures.
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Dubey, Gyan Prakash and Kumar, Krishan
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AMINES , *ALCOHOLS (Chemical class) , *TEMPERATURE , *VOLUMETRIC analysis , *VISCOMETRY , *ATMOSPHERIC pressure - Abstract
This paper presents the experimental measurements of densities, ρ , viscosities, η and speeds of sound, u of (Diisopropylamine (DIIPA) + 1-Hexanol, + 1-Octanol, + 1-Decanol) over the entire composition range at (293.15 to 313.15) K and atmospheric pressure. We examined the influence of temperature and alcohol chain length upon the various studied properties. Negative values of excess molar volume V m E and excess molar isentropic compressibilities, K S , m E indicates the presence strong intermolecular interactions. The results of deviations in speeds of sound, u D , viscosity deviations, Δ η and Gibbs excess free energy of activation of viscous flow, Δ G ⁎ E also supports the conclusion drawn from V m E and K S , m E . The outcomes of V m E have been correlated to Prigogine –Flory –Patterson theory (PFP). [ABSTRACT FROM AUTHOR]
- Published
- 2017
- Full Text
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16. Study of molecular interactions in binary liquid mixtures containing tri-n-butylamine with 2-pentanone, 3-pentanone, and 4-methyl-2-pentanone: A thermophysical approach.
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Dubey, Gyan Prakash, Rani, Seema, and Kaur, Prabjot
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PENTANONE , *MOLECULAR interactions , *MOLECULAR dynamics , *LIQUID mixtures , *VISCOSITY - Abstract
This paper reports experimental densities (ρ) and speeds of sound ( u ) of tri- n -butyl amine (TBA), 2-pentanone (2P), 3-pentanone (3P), 4-methyl-2-pentanone (4M2P) and their binary mixtures with TBA as common component, measured at atmospheric pressure and T = (293.15, 298.12, 303.15, 308.15 and 313.15) K over the entire composition range. Experimental viscosities ( η ) under similar condition of composition and pressure are also reported at T = (298.15, 303.15, and 308.15) K. Excess molar volumes ( V m E ), excess isentropic compressibility (Δ κ s ) and deviations in speed of sound (Δ u ) of all the binary mixtures were evaluated from the experimental results of density and speed of sound data. All these thermodynamic properties are analyzed in terms of intermolecular interactions and structural effects present between the molecules of the investigated binary liquid mixtures. Further, viscosity data were used to calculate deviations in viscosity (Δ η ) and excess Gibb's free energy of activation for viscous flow (Δ G ⁎ E ). The derived properties have also been correlated to composition using Redlich–Kister type polynomial equation by the method of least-square for the estimation of the binary coefficients and the standard errors. Apart from this, various semi empirical relations i.e. Grunberg–Nissan, Tamura–Kurata, Katti–Chaudhri, McAllister (3-body interaction) and Heric-Brewer (3-parameter) have been tested using experimental viscosity data. [ABSTRACT FROM AUTHOR]
- Published
- 2016
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17. Density, Speed of Sound, Viscosity, Excess Properties, and Prigogine-Flory-Patterson (PFP) Theory of Binary Mixtures of Amine and Alcohols.
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Dubey, Gyan Prakash and Kumar, Krishan
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SPEED of sound , *VISCOSITY , *BINARY mixtures , *AMINES , *ALCOHOL , *THERMODYNAMICS , *ISOPROPYLAMINE - Abstract
Various thermodynamic parameters of the binary mixtures of [diisopropylamine (DIIPA) + 2-methyl-1-propanol, + 2-propanol, and + 1-butanol] have been measured over the entire composition range and at a temperature range of (293.15 to 313.15) K. Here, the Redlich-Kister type polynomial equation is used to derive the coefficients and standard deviations. The negative value obtained for excess molar volume (VmE) and excess molar isentropic compressibility (KS,mE) shows the presence of strong molecular interactions. The calculated apparent molar volume, Vφ,1, and apparent molar compressibility, Kφ,1, predicts volume contraction of the solution with the addition of alcohol in DIIPA. The obtained excess molar volume (VmE) has then been correlated by using the Prigogine-Flory-Patterson (PFP) theory. [ABSTRACT FROM AUTHOR]
- Published
- 2016
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18. Molecular interactions in 2-isopropoxy ethanol + alcohols: A thermo-physical and spectroscopic approach.
- Author
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Kaur, Prabjot and Dubey, Gyan Prakash
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MOLECULAR interactions , *ETHANOL , *ALCOHOLS (Chemical class) , *THERMODYNAMICS , *SPEED of sound , *BINARY mixtures , *TEMPERATURE effect - Abstract
As a continuation of thermodynamic study of binary liquid mixture of alkoxy alkanols, this paper reports new measurement of densities ρ and speeds of sound u of 2-isopropoxy ethanol (CH 3 ) 2 CH 2 OC 2 H 4 OH, 1-propanol CH 3 (CH 2 ) 2 OH, 2-propanol (CH 3 ) 2 CHOH, 1-butanol CH 3 (CH 2 ) 3 OH and 2-butanol CH 3 CH 2 CH(OH)CH 3 and their binary mixtures with 2-isopropoxy ethanol as a common component, measured at 293.15, 298.15, 303.15, 308.15 and 313.15 K and viscosities η measured at 298.15, 303.15 and 308.15 K over the entire composition range. These experimental data were used to calculate the values of excess molar volume V m E , excess molar isentropic compressibilities K S , m E , deviation in viscosities Δ η , excess Gibbs free energies ΔG ⁎ E and deviation in speed of sound u D at all mole fractions of 2-isopropoxy ethanol. The observed variations of these properties, with composition and temperature, are discussed in terms of molecular interactions due to physical and chemical effects between the unlike molecules of the binary mixtures. These properties, especially excess functions, are found to be quite sensitive towards the intermolecular interactions in liquid mixtures. These excess functions and deviations have also been correlated using Redlich–Kister type polynomial equation by the method of least-squares for the estimation of the binary coefficients and the standard errors. FT-IR and 1 H NMR studies of these mixtures are also reported. [ABSTRACT FROM AUTHOR]
- Published
- 2016
- Full Text
- View/download PDF
19. Acoustic, volumetric, transport and spectral studies of binary mixtures of 1-tert-butoxy-2-propanol with alcohols at different temperatures.
- Author
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Dubey, Gyan Prakash and Kaur, Prabjot
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VOLUMETRIC analysis , *BINARY mixtures , *PROPANOLS , *TEMPERATURE effect , *NUCLEAR magnetic resonance - Abstract
The molecular interactions have been studied in the binary mixtures of 1-tert-butoxy-2-propanol (CH 3 ) 3 COCH 2 CH(OH)CH 3 with four structurally different alcohols, viz., 1-propanol CH 3 (CH 2 ) 2 OH, 2-propanol (CH 3 ) 2 CHOH, 1-butanol CH 3 (CH 2 ) 3 OH and 2-butanol CH 3 CH 2 CH(OH)CH 3, through the behavior of measured densities, ρ , speeds of sound, u at 293.15, 298.15, 303.15, 308.15 and 313.15 K and viscosities, η at 298.15, 303.15 and 308.15 K. The experimental data were used to calculate the excess molar volumes, V m E , excess molar isentropic compressibilities, K S , m E and deviations in speed of sound, u D . The apparent and partial molar properties and their deviations at infinite dilution were also calculated. Viscosity data were used to compute deviations in viscosity, ∆ η and excess Gibbs energy of activation of viscous flow, Δ G ⁎ E . Furthermore, the change in free energy, Δ G , change in enthalpy, Δ H and change in entropy, Δ S of activation of viscous flow have also been calculated. A Redlich–Kister type equation was applied to fit the excess molar volumes and deviations in isentropic compressibility, speeds of sound and viscosities data. The FT-IR and 1 H NMR studies of all mixtures were also reported. [ABSTRACT FROM AUTHOR]
- Published
- 2015
- Full Text
- View/download PDF
20. Molecular interactions in binary mixtures of 1-butoxy-2-propanol with alcohols at different temperatures: A thermophysical and spectroscopic approach.
- Author
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Dubey, Gyan Prakash and Kaur, Prabjot
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MOLECULAR interactions , *BINARY mixtures , *PROPANOLS , *CHEMICAL alcohol analysis , *TEMPERATURE effect , *THERMOPHYSICAL properties , *SPECTRUM analysis - Abstract
This paper reports densities ( ρ ) and speeds of sound ( u ) of 1-butoxy-2-propanol CH 3 (CH 2 ) 3 OC 3 H 6 OH, 1-propanol CH 3 (CH 2 ) 2 OH, 2-propanol (CH 3 ) 2 CHOH, 1-butanol CH 3 (CH 2 ) 3 OH and 2-butanol CH 3 CH 2 CH(OH)CH 3 and their binary mixtures with 1-butoxy-2-propanol as a common component, measured at T = (293.15, 298.15, 303.15, 308.15 and 313.15) K over the entire composition range. These experimental values of density and speed of sound were used to calculate the values of excess molar volumes, V m E , deviations in molar isentropic compressibility Δ κ s and deviations in speed of sound u D . Further, experimental densities were used to estimate apparent molar volumes V ϕ , i , partial molar volumes V ‾ m , 1 , excess partial molar volumes V ‾ m , 1 E and their limiting values at infinite dilution V ϕ , i ∞ , V ‾ m , i ∞ and V ‾ m , i E , ∞ respectively. The variations observed in these properties, with composition and temperature, are discussed in terms of molecular interactions due to physical and chemical effects between the unlike molecules of the binary mixtures. These properties, especially excess functions, are found to be quite sensitive towards the intermolecular interactions in liquid mixtures. These excess functions and deviations have also been correlated using Redlich–Kister type polynomial equation by the method of least-squares for the estimation of the binary coefficients and the standard errors. FT-IR studies of these mixtures are also reported. [ABSTRACT FROM AUTHOR]
- Published
- 2014
- Full Text
- View/download PDF
21. Volumetric and transport behaviour of 2-butoxy ethanol with 1-alcohols: application of Prigogine–Flory–Patterson theory.
- Author
-
Dubey, Gyan Prakash and Kaur, Prabjot
- Subjects
- *
VOLUMETRIC analysis , *BUTOXYETHANOL , *BINARY mixtures , *TEMPERATURE effect , *STATISTICAL mechanics , *VISCOSITY - Abstract
Non-ideal behaviours of binary mixtures of 2-butoxy ethanol with 1-hexanol, 1-octanol and 1-decanol have been analysed at different temperatures and over the whole composition range. For this purpose, experimental densities were used to estimate apparent molar volumes, partial molar volumes, excess partial molar volumes. and their limiting values at infinite dilution,andrespectively. Experimental viscosities were used to calculate the deviations in viscosity, ∆η.The calculated properties were interpreted in terms of molecular interactions and structural effects. A volumetric result has been analysed in the light of Prigogine–Flory–Patterson (PFP) statistical mechanical theory. Interaction parameters have been calculated fromvalues for all the studied systems. The solute–solvent interactions have been investigated in terms of each of the three contributions, viz. interactional, free volume and P*obtained from PFP theory at equimolar concentration. The results ofcalculated from PFP theory are compared with thereported in our earlier communication. [ABSTRACT FROM PUBLISHER]
- Published
- 2014
- Full Text
- View/download PDF
22. Densities, speeds of sound, viscosities and FT-IR spectroscopic studies of binary mixtures of 1-tert-butoxy-2-propanol with alcohols (C6, C8, C10) at different temperatures.
- Author
-
Dubey, Gyan Prakash and Kaur, Prabjot
- Subjects
- *
SPEED of sound , *VISCOSITY , *SPECTRUM analysis , *BINARY mixtures , *PROPANOLS , *FOURIER transform infrared spectroscopy - Abstract
This article presents densities, ρ and speeds of sound, u of 1-tert-butoxy-2-propanol (CH3)3COCH2CH(OH)CH3 with alcohols, viz., 1-hexanol CH3(CH2)5OH, 1-octanol CH3(CH2)7OH and 1-decanol CH3(CH2)9OH at 293.15, 298.15, 303.15, 308.15 and 313.15 K and viscosities, η at 298.15, 303.15 and 308.15 K over the entire composition range. These experimental data of density and speed of sound were used to calculate the values of excess molar volumes, VmE, excess molar isentropic compressibilities, KS,mE, and deviation in speeds of sound, uD. Viscosity data was used to compute deviation in viscosities, Δη. The viscosity data have been correlated with the equations of Heric and Brewer (three-parameter), and McAllister (four body interactions). The calculated excess properties are discussed in terms of molecular interaction between present investigated binary mixtures and with Fourier Transform infrared (FT-IR) spectroscopy. These excess functions and their deviations have also been correlated using Redlich-Kister type polynomial equation by the method of least-squares for the estimation of the binary coefficients and the standard errors. [ABSTRACT FROM AUTHOR]
- Published
- 2014
- Full Text
- View/download PDF
23. Densities, speeds of sound and viscosities of binary mixtures of tetrahydrofuran with 1-hexanol, 1-octanol and 1-decanol at T = (298.15 to 313.15)K.
- Author
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Dubey, Gyan Prakash and Kumar, Rajiv
- Subjects
- *
VISCOSITY , *BINARY mixtures , *TETRAHYDROFURAN , *THERMODYNAMICS , *MOLECULAR volume , *SPEED of sound - Abstract
Highlights: [•] Thermodynamic study for the binary liquid mixtures has been made. has been made. [•] Excess molar volumes, deviations of speed of sound and excess molar isentropic compressibilities were determined. [•] Discussion has been carried out on the basis of types of interactions between the liquid molecules based on derived properties. [ABSTRACT FROM AUTHOR]
- Published
- 2014
- Full Text
- View/download PDF
24. Thermodynamic and spectral investigations of binary liquid mixtures of 2-butoxy ethanol with alcohols at temperature range of 293.15–313.15K.
- Author
-
Dubey, Gyan Prakash and Kaur, Prabjot
- Subjects
- *
THERMODYNAMICS , *SPECTRUM analysis , *BINARY mixtures , *LIQUID mixtures , *ETHYLENE glycols , *ALCOHOLS (Chemical class) , *TEMPERATURE effect - Abstract
Highlights: [•] Binary mixtures of 2-butoxy ethanol with alcohols have been studied at different temperatures. [•] Strong H-bonding interactions between the components are confirmed that decreases with increasing chain length of alcohols. [•] IR and NMR studies strongly corroborate the experimental and computational analysis results. [Copyright &y& Elsevier]
- Published
- 2013
- Full Text
- View/download PDF
25. Thermodynamic, transport and excess properties of 2-butoxy ethanol +1-alkanol (C6,C8,C10) at different temperatures.
- Author
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Dubey, Gyan Prakash and Kaur, Prabjot
- Subjects
- *
THERMODYNAMICS , *ETHANOL , *TEMPERATURE effect , *BINARY mixtures , *MOLECULAR volume , *ISENTROPIC compression - Abstract
Highlights: [•] Thermodynamic and transport study for the binary mixtures of 2-butoxy ethanol+1-hexanol, +1-octanol or +1-decanol have been made. [•] Excess molar volumes, molar isentropic compression and deviation in speed of sound were determined. [•] Types of interactions were discussed based on derived properties. [ABSTRACT FROM AUTHOR]
- Published
- 2013
- Full Text
- View/download PDF
26. Studies of thermodynamic, thermophysical and partial molar properties of liquid mixtures of diethylenetriamine with alcohols at 293.15 to 313.15K
- Author
-
Dubey, Gyan Prakash and Kumar, Krishan
- Subjects
- *
LIQUID mixtures , *DIETHYLENETRIAMINE , *ALCOHOLS (Chemical class) , *THERMODYNAMICS , *THERMOPHYSICAL properties , *CHEMICAL potential - Abstract
Abstract: This paper presents densities, ρ speeds of sound, u and viscosities η of the binary liquid mixtures containing diethylenetriamine with 1-hexanol, 1-octanol and 1-decanol at 293.15, 298.15, 303.15, 308.15 and 313.15K. From density and speed of sound data, excess molar volumes, V m E and deviations in isentropic compressibility, ∆κ S and speed of sound, ∆u have been evaluated. Viscosity data were used to compute deviations in viscosity and excess Gibbs energy of activation of viscous flow, ΔG ⁎ E at 298.15, 303.15 and 308.15K. A Redlich–Kister type equation was applied to fit the excess molar volumes and deviations in isentropic compressibility, speed of sound and viscosity data. The viscosity data have been correlated with the equations of Grunberg–Nissan, Tamura–Kurata, Heric–Brewer and of Hind et al. Furthermore, apparent molar volume, and partial molar volume, of amine in cosolvent alcohol in terms of mole fraction concentration unit have been calculated. [Copyright &y& Elsevier]
- Published
- 2013
- Full Text
- View/download PDF
27. Studies of thermophysical properties of binary liquid mixtures of amine and alcohols at various temperatures
- Author
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Dubey, Gyan Prakash and Kumar, Krishan
- Subjects
- *
THERMOPHYSICAL properties , *BINARY mixtures , *AMINES , *ALCOHOLS (Chemical class) , *TEMPERATURE effect , *ATMOSPHERIC pressure , *VISCOSITY , *COMPRESSIBILITY - Abstract
Abstract: The density ρ and speed of sound u of the binary mixtures of ethylenediamine (EDA) with alcohols (1-hexanol, 1-octanol, and 1-decanol) were measured at temperatures from (293.15 to 313.15)K and viscosity η at (298.15 to 308.15)K over the entire composition range and at atmospheric pressure. Using the experimental values of density, viscosity and speed of sound, the excess molar volume , viscosity deviation Δη, deviation in speed of sound uD , deviation in isentropic compressibility Δκs were calculated. These results were fitted to the Redlich–Kister type polynomial equation. The variations of these excess parameters with composition were discussed from the viewpoint of intermolecular interactions in these mixtures. The excess properties are found to be either positive or negative depending on the molecular interactions and the nature of liquid mixtures. Further, the viscosity data have been used and analyzed in terms of Heric−Brewer and McAllister models. [Copyright &y& Elsevier]
- Published
- 2012
- Full Text
- View/download PDF
28. Thermodynamic properties of binary liquid mixtures of diethylenetriamine with alcohols at different temperatures
- Author
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Dubey, Gyan Prakash and Kumar, Krishan
- Subjects
- *
THERMODYNAMICS , *MIXTURES , *AMINES , *ALCOHOLS (Chemical class) , *VISCOSITY , *MOLECULAR volume , *COMPRESSIBILITY , *TEMPERATURE effect - Abstract
Abstract: Densities, ρ, viscosities, η, and speeds of sound, u, were measured for the binary liquid mixtures containing diethylenetriamine with 2-methyl-1-propanol, 2-propanol and 1-butanol at 293.15, 298.15, 303.15, 308.15 and 313.15K. From density and speed of sound data, excess molar volumes, and deviations in isentropic compressibility, Δκ s , and speed of sound, Δu have been evaluated. Viscosity data were used to compute deviations in viscosity and excess Gibbs energy of activation of viscous flow ΔG* E at 298.15, 303.15 and 308.15K. A Redlich–Kister type equation was applied to fit the excess molar volumes and deviations in isentropic compressibility, speed of sound and viscosity data. The viscosity data have been correlated with the equations of Grunberg–Nissan, Tamura–Kurata, Heric–Brewer and of Hind et al. All the binary systems of the present study have negative values of excess molar volumes and deviations in isentropic compressibility over whole composition range and at all temperatures which indicates strong interactions between the components of binary mixtures. [Copyright &y& Elsevier]
- Published
- 2011
- Full Text
- View/download PDF
29. Densities, Viscosities, and Speeds of Sound of Binary Liquid Mixtures of Ethylenediamine with Alcohols at T= (293.15 to 313.15) K.
- Author
-
Dubey, Gyan Prakash and Kumar, Krishan
- Subjects
- *
VISCOSITY , *SPEED of sound , *MIXTURES , *ETHYLENEDIAMINE , *ALCOHOLS (Chemical class) , *PRESSURE , *POLYNOMIALS , *BINARY number system - Abstract
Densities, Ï, and speeds of sound, u, have been measured for the binary liquid mixtures of ethylenediamine, (NH2CH2CH2NH2), with 2-methyl-1-propanol, (C4H10O), 2-propanol, (C3H8O), and 1-butanol, (C4H10O), at (293.15, 298.15, 303.15, 308.15, and 313.15) K and viscosities at (298.15, 303.15, and 308.15) K and a pressure of 0.1 MPa as a function of composition. Furthermore, using the experimental results excess molar volumes, VmE, isentropic compressibilities, κS, deviation in isentropic compressibilities, ÎκS, deviation in speeds of sound, Îu, and viscosity deviations, Îη, have been calculated. The values of VmE, ÎκS, Îu, and Îη were fitted to the RedlichâKister polynomial equation and have been used to discuss the presence of significant interactions between amine and alcohol molecules. The viscosity data have been further used and analyzed in terms of some semiempirical equations. [ABSTRACT FROM AUTHOR]
- Published
- 2011
- Full Text
- View/download PDF
30. Volumetric, acoustic, and viscometric studies of molecular interactions in binary mixtures of diethylene glycol monomethyl ether with 1-alkanols at temperatures from (293.15 to 308.15)K
- Author
-
Dubey, Gyan Prakash, Mehra, Krishan Kumar, and Sharma, Monika
- Subjects
- *
DIETHYLENE glycol , *MIXTURES , *VOLUMETRIC analysis , *METHYL ether , *VISCOSITY , *SPEED of sound , *TEMPERATURE effect , *COMPRESSIBILITY - Abstract
Abstract: In this work, densities ρ, speeds of sound u, and viscosities η, have been measured over the whole composition range for the binary mixtures of diethylene glycol monomethyl ether (DEGMME), CH3(OCH2CH2)2OH with 1-hexanol, CH3(CH2)5OH, 1-octanol, CH3(CH2)7OH, and 1-decanol, CH3(CH2)9OH at T = (293.15, 298.15, 303.15, and 308.15)K along with the properties of the pure components. By using the experimental values of ρ, u, and η, excess molar volume, , deviations in viscosity, Δη, isentropic compressibility κS , deviations in isentropic compressibility ΔκS , deviations of the speed of sound Δu, have been calculated. The viscosity results have also been analysed in terms of some semi-empirical equations. [Copyright &y& Elsevier]
- Published
- 2010
- Full Text
- View/download PDF
31. Volumetric, transport, and acoustic properties of binary mixtures of 2-methyl-1-propanol with hexadecane and squalane at T =(298.15, 303.15, and 308.15)K: Experimental results, correlation, and prediction by the ERAS model
- Author
-
Dubey, Gyan Prakash, Sharma, Monika, and Oswal, Shantilal
- Subjects
- *
VOLUMETRIC analysis , *MIXTURES , *PROPANOLS , *VISCOSITY , *CHEMICAL systems , *CHEMICAL models , *MOLECULAR acoustics , *TEMPERATURE effect - Abstract
Abstract: Density ρ, speed of sound u, and viscosity η of the binary systems 2-methyl-1-propanol+hexadecane and 2-methyl-1-propanol+squalane (2,6,10,15,19,23-hexamethyltetracosane) have been measured over the entire range of composition at T =(298.15, 303.15, and 308.15)K and atmospheric pressure using a vibrating tube densimeter and sound analyzer Anton Paar model DSA-5000 and Ubbelohde suspended level viscometer. Excess molar volume , excess molar isentropic compressibility , and deviations of the speed of sound uD from their ideal values uid and excess thermal expansion coefficient αE were evaluated from the experimental results obtained. These derived properties were fitted to variable-degree polynomials. Further, the Extended Real Associated Solution (ERAS) model has been applied to for the present binary mixtures along with (2-methyl-1-propanol+hexane,+octane and+decane) and the findings are compared with the experimental results. [Copyright &y& Elsevier]
- Published
- 2009
- Full Text
- View/download PDF
32. Study of densities, viscosities, and speeds of sound of binary liquid mixtures of butan-1-ol with n-alkanes (C6, C8, and C10) at T =(298.15, 303.15, and 308.15)K
- Author
-
Dubey, Gyan Prakash, Sharma, Monika, and Dubey, Neelima
- Subjects
- *
HYDRODYNAMICS , *SPEED of sound , *ATMOSPHERIC pressure , *FLUID dynamics - Abstract
Abstract: The densities (ρ) and speeds of sound (u) have been measured over the whole composition range for (butan-1-ol with hexane, or octane, or decane) at T =(298.15, 303.15, and 308.15)K and atmospheric pressure along with the properties of the pure components. Viscosities (η) of these binary mixtures have also been measured over the entire composition range at T =298.15K. Experimental values of density, viscosity and speed of sound have been used to evaluate excess properties viz. excess molar volumes (V E), deviation in viscosity (Δη), deviation in speeds of sound (Δu), deviation in isentropic compressibility (Δκ s) and excess Gibbs free energy of activation of viscous flow (ΔG ∗E). The excess properties have been correlated using the Redlich–Kister polynomial equation. The sign and magnitude of these excess properties have been used to interpret the results in terms of intermolecular interactions and structural effects. The viscosity data have also been correlated by Grunberg and Nissan, Tamura–Kurata, and Hind correlation equations. [Copyright &y& Elsevier]
- Published
- 2008
- Full Text
- View/download PDF
33. Excess thermodynamic properties and FT-IR studies of binary mixtures of 2-butoxy ethanol + amines at different temperatures.
- Author
-
Dubey, Gyan Prakash and Dhingra, Likhish
- Subjects
- *
BINARY mixtures , *MOLECULAR volume , *LIQUID mixtures , *SPEED of sound , *AMINES , *GLYCINE - Abstract
• Binary mixtures of 2-butoxy ethanol with amines were investigated. • Various excess and deviation properties were calculated. • Interaction present among the unlike molecules were discussed. • Viscosity was correlated to theoretical models. • Spectroscopic behaviour of studied mixtures were studied. Experimental values of density (ρ), speed of sound (u) and viscosity (η) of binary liquid mixtures containing 2-butoxy ethanol with dipropylamine, diethylamine and triethylamine at temperatures (298.15 to 308.15) K with the interval of 5 K have been discussed in the present communication. Using the experimental data, thermodynamic parameters like excess molar volume ( V m E ), excess isentropic compressibility (κ s E), excess speed of sound (u E), deviation in viscosity (Δ η), excess Gibb's free energy of activation (Δ G *E ), apparent molar volume (V φ , i ) and partial molar volume ( V ¯ m , i ) have been calculated to study the interaction present in these liquid mixtures. Strong intermolecular interaction between the components of the mixtures is made known by these parameters. Order of magnitude of these parameters substantiates the order of interaction of 2-butoxy ethanol with amines. Redlich-Kister polynomial has been used to correlate the excess and deviation properties with composition. To carry out comparison of correlating ability of various viscosity models, standard deviation has been calculated using the corresponding relation. Spectral data of these liquid mixtures also strengthens the results obtained from above calculated thermodynamic properties. [ABSTRACT FROM AUTHOR]
- Published
- 2021
- Full Text
- View/download PDF
34. Molecular interactions in binary liquid mixtures of 1-propoxy-2-propanol with amines at (298.15, 303.15 and 308.15) K: A thermophysical and spectroscopic approach.
- Author
-
Dubey, Gyan Prakash and Dhingra, Likhish
- Subjects
- *
LIQUID mixtures , *MOLECULAR interactions , *VISCOUS flow , *SPEED of sound , *INTERMOLECULAR interactions , *BINARY mixtures - Abstract
Density (ρ), speed of sound (u) and viscosity (η) of binary liquid mixtures containing 1-propoxy-2-propanol with amines namely dipropylamine, diethylamine and triethylamine were measured over the entire range of composition at temperatures (298.15, 303.15 and 308.15) K. To study the intermolecular interactions between the molecules of liquid mixtures, various thermodynamic properties were calculated. Strong hetero association among the components of liquid mixtures has been confirmed by the calculated parameters. The order of interaction of 1-propoxy-2-propanol with amines is confirmed by the order of magnitude of these parameters. Further, change in enthalpy (ΔH ∗) and entropy (ΔS ∗) of activation of viscous flow have also been calculated. Correlation ability of various proposed viscosity models has been compared. Redlich-Kister polynomial has been used for the correlation of various excess and deviation properties. FT-IR spectra of these liquid mixtures have also been studied that strengthens the above findings. • Binary mixtures of 1-propoxy-2-propanol with amines were investigated. • Various excess and deviation properties were calculated. • Interaction present among the unlike molecules were discussed. • Viscosity was correlated to theoretical models. • Spectroscopic behaviour of studied mixtures were studied. [ABSTRACT FROM AUTHOR]
- Published
- 2020
- Full Text
- View/download PDF
35. Visible-light driven regioselective synthesis, characterization and binding studies of 2-aroyl-3-methyl-6,7-dihydro-5H-thiazolo[3,2-a]pyrimidines with DNA and BSA using biophysical and computational techniques.
- Author
-
Aggarwal, Ranjana, Jain, Naman, Sharma, Shilpa, Kumar, Prince, Dubey, Gyan Prakash, Chugh, Heerak, and Chandra, Ramesh
- Subjects
- *
CYCLOBUTANE , *MOLECULAR docking , *RENEWABLE energy sources , *MEASUREMENT of viscosity , *DNA , *PYRIMIDINES , *CLEAN energy - Abstract
In recent times, fused azaheterocycles emerged as impressive therapeutic agents. Binding studies of such azaheterocycles with biomolecules is an important subject for pharmaceutical and biochemical studies aiming at the design and development of new drugs. Fused heterocyclic scaffolds, such as thiazolopyrmidines have long been used in the pharmaceutical industry for the treatment of various diseases. In this study, we have accomplished a regioselective synthesis of 2-aroyl-3-methyl-6,7-dihydro-5H-thiazolo[3,2-a]pyrimidines by the reaction of tetrahydropyrimidine-2(H)-thione with α-bromo-1,3-diketones, generated in situ from 1,3-diketones and NBS, using visible light as an inexpensive, green and renewable energy source under mild reaction conditions with wide-ranging substrate scope. The regioisomer was characterized unambiguously by 2D-NMR [1H-13C] HMBC and [1H-13C] HMQC spectroscopy. In silico toxicity data analysis showed the low toxicity risks of the synthesized compounds. Computational molecular docking studies were carried out to examine the interaction of thiazolo[3,2-a]pyrimidines with calf-thymus DNA (ct-DNA) and Bovine Serum Albumin (BSA). Moreover, different spectroscopic approaches viz. steady-state fluorescence, competitive displacement assay, UV–visible and circular dichroism (CD) along with viscosity measurements were employed to investigate the binding mechanisms of thiazolo[3,2-a]pyrimidines with DNA and BSA. The results thus obtained revealed that thiazolo[3,2-a]pyrimidines offer groove bindings with DNA and showed moderate bindings with BSA. [ABSTRACT FROM AUTHOR]
- Published
- 2021
- Full Text
- View/download PDF
36. Formation of mixed micelles in an aqueous mixture of a biamphiphilic surface active ionic liquid and an anionic surfactant: Experimental and theoretical study.
- Author
-
Pal, Amalendu, Punia, Renu, and Dubey, Gyan Prakash
- Subjects
- *
ANIONIC surfactants , *CRITICAL micelle concentration , *SURFACE tension measurement , *IONIC liquids , *MICELLES , *SURFACE tension - Abstract
[Display omitted] • Micellar behavior of biamphiphilic SAIL in the presence of AOT was studied. • The less effectiveness of mixed system to reduce the surface tension was observed. • The aggregation number of mixed aggregates decrease at higher mole fraction. • The mixed micellar parameters were determined by Clint, Rubingh and Motomura models. • The ß m values confirm antagonistic and synergistic effects between the components. The micellization behaviour of biamphiphilic surface active ionic liquid (BAIL), 3-methyl-1-pentylimidazolium dodecylsulfate [C 5 mim][C 12 SO 4 ] with anionic surfactant, sodium dioctylsulfosuccinate (AOT) was investigated using different techniques in an aqueous solution. The values of critical micelle concentration (cmc) and thermodynamic parameters have been ascertained by employing conductometric measurement at (298.15, 308.15 and 318.15) K. The interfacial parameters viz. surface pressure, maximum surface excess concentration, and minimum surface area per surfactant molecule evaluated by using the surface tension measurement at 298.15 K shows the less effectiveness of mixtures to reduce the surface tension. The size and turbidity of the mixed aggregates were investigated using dynamic light scattering (DLS) and turbidimetry. The turbidity results show the existence of micelles as well as mixed aggregates. Different proposed theoretical models like Clint, Rubingh and Motomura was employed for the evaluation of mixed micellar parameters (ideal values of cmc, activity coefficients of the components in the mixed micelle, and interaction parameters etc.) at different compositions. The existence of both the interactions (synergistic and antagonistic) has been inferred in the studied system. The mixed micelle formation was found dependent on micellar composition. [ABSTRACT FROM AUTHOR]
- Published
- 2021
- Full Text
- View/download PDF
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