Excess Isentropic Compressibilities Research Articles

Density, Viscosity, Refractive Index, Speed of Sound, Molar Volume, Isobaric Thermal Compressibility, Excess Gibbs Activation for Fluid Flow, and Isentropic Compressibility of Binary Mixtures of Methanol with Anisole and with Toluene at 298.15 K and 0.1 MPa

Density, viscosity, refractive index, and ultrasonic velocity were measured for the pure materials anisole, methanol, and toluene, and for the binary mixtures: methanol—anisole and methanol—toluene. Excess molar volume VE, isobaric thermal compressibility α, excess Gibbs activation energy for fluid flow ΔGE*, and excess isentropic compressibility κSE were calculated from the measured quantities. For both binary mixtures VE and κSE were <0 while Δn > 0 and ΔGE* > 0 over the entire mole fraction composition range. Anisole mixtures exhibited more negative values for VE and κSE while more positive values were displayed for Δn and ΔGE* compared to toluene mixtures. For Δη, negative values were observed at low alcohol concentrations but positive values at high alcohol concentrations for both systems.

Study on the molecular interactions of binary mixtures of N-methyl benzyl amine with halo methane’s through thermodynamic properties and correlation with the Jouyban–Acree model

ABSTRACT The thermodynamic and transport properties of binary mixtures of N-methyl benzyl amine (NMBA) with halo methane compounds at temperatures from 303.15 K to 313.15 K were investigated. The study analysed the excess molar volume, excess isentropic compressibility, deviation in viscosity, and excess Gibbs free energy for activation of viscous flow using measured densities (ρ), viscosities (η), and speeds of sound (u). The research also examined the impact of the inductive effect on excess properties concerning intermolecular attractive forces between the respective constituents. Furthermore, the Jouyban–Acree model was employed to correlate density, speed of sound, and viscosity with composition and obtained good agreement.

Study on the molecular interactions of some binary mixtures through thermodynamic properties and FT-IR spectra and correlation with the Jouyban–Acree model

ABSTRACT Densities (ρ), speeds of sound (u) and viscosities (η) were measured for three binary mixtures of propargyl alcohol with tetra chloromethane, trichloromethane, and dichloromethane from 303.15 K to 313.15 K at atmospheric pressure across the composition range. Excess molar volume, excess isentropic compressibility, deviation in viscosity, and excess Gibbs free energy of activation of viscous flow were calculated. Partial molar properties and infinite dilution molar partial properties were also determined for each system. Results suggest heteroassociates forming cross complexes and chemical forces with specific interactions. PFP theory was used to identify the predominant molecular interactions. The Jouyban–Acree model findings were discussed, considering mean relative deviation (MRDs) and individual relative deviation (IRD) between calculated and experimental data. FTIR studies were included to corroborate the experimental findings.

Thermo physical properties and IR spectral studies of some binary liquid mixtures and correlation with the Jouyban–Acree model

ABSTRACT Excess molar volume, excess isentropic compressibility, deviation in viscosity and excess Gibbs free energy for activation of viscous flow for binary mixtures of propargyl alcohol (J) with benzyl aldehyde (J1), benzylamine (J2) and benzyl alcohol (J3) components with selected compositions were determined from the measured values of densities (ρ), viscosities (η), and speeds of sound (u) of pure components and their mixtures from 303.15 K to 313.15 K. The effect of various functional groups on the excess properties has been discussed in terms of attractive forces between the components. The results of the Jouyban-Acree model are discussed in terms of the mean relative deviation and individual relative between the calculated and experimental densities, speed of sound, and viscosities as an accuracy criterion.FTIR studies have also been added to confirm the experimental findings of the investigated mixtures

Excess properties for binary liquid mixtures of Hexylene glycol with ketones at different temperatures and correlation with the Jouyban–Acree model

ABSTRACT Excess molar volume, excess isentropic compressibility, deviation in viscosity, and excess Gibbs free energy of activation of viscous flow for binary mixtures of Hexylene glycol (2-methyl-pentanediol-2,4 or MPD) with aliphatic ketones (4-hydroxy-4-methyl-pentan-2-one (J1), 4-methyl-pentan-2-one (J2), and pentan-2-one (J3)) components selected compositions were determined from the measured values of densities (ρ), viscosities (η), and speeds of sound (u) of pure components and their mixtures from 303.15 K to 313.15 K. The results were analysed in terms of intermolecular interactions or hydrogen bonding or hetero-association interactions in the binary mixtures. Finally, the Prigogine-Flory-Patterson (PFP) theory is applied to identify the most predominant molecular interaction. The results of the Jouyban-Acree model are discussed in terms of mean relative deviation (MRDs) and individual relative deviation (IRD) between calculated and experimental densities, speeds of sound, and viscosities as an accuracy criterion.

Density, Speed of Sound and Derived Properties of Binary Mixtures Propiophenone + Butoxyethanol at T = (303.15, 308.15, 313.15 and 318.15) K

The current study reports the experimental density (ρ) and sound speed (u) values for binary mixes of liquids propiophenone + 2-butoxyethanol at atmospheric pressure (0.1 MPa) and T = (303.15, 308.15, 313.15 and 318.15) K for the full spectrum of composition. densities and sound speed measurements from experiments have been used to estimate excess isentropic compressibility (κsE), excess molar volume (VEm), excess molar isentropic compressibility (KEs,m), excess isobaric thermal expansivity (αEp) and excess sound speed (uE). The Redlich-Kister polynomials were used to correlate excess parameters. Excess partial molar volume quantities (VEm,1 and VEm,2) at infinite dilution and their limiting values (V0Em,1 and V0Em,2) have been analytically determined using Redlich-Kister polynomials from the experimental density data. The results have been analyzed in light of strength and interactions among molecular entities scope and extent prevalent in these mixtures.

FT-IR studies and excess thermodynamic properties of binary mixtures at various temperatures and correlation with the Jouyban–Acree model

ABSTRACT Densities (ρ), speeds of sound (u), and viscosities (η) for three binary mixtures of 4-Hydroxy-4-methyl-pentan-2-one with 3-amino-propan-1-ol, 2-amino-2-methyl-propan-1-ol, and 1-amino propan-2-ol were calculated at temperatures ranging from 303.15 to 313.15 K and atmospheric pressure over the entire composition range. Experimental measurements were used to calculate the excess molar volume, excess isentropic compressibility, deviation in viscosity, and excess Gibbs free energy of the activation of viscous flow. Partial molar properties and infinite dilution molar partial properties are also calculated for each binary system. Heteroassociates molecules forming complexes and chemical forces with specific interactions can be discussed from the results. The Prigogine–Flory–Patterson theory is used to identify the most important interaction. The results of the Jouyban–Acree model are discussed in terms of the mean relative deviation and individual relative between the calculated and experimental densities, speed of sound, and viscosities as an accuracy criterion. FTIR studies confirm the experimental findings of the investigated mixtures.

Study on the molecular interactions of binary mixtures of allyl alcohol and amino-alcohol solvents through thermodynamic properties and FT-IR spectra and correlation with the Jouyban–Acree model

ABSTRACT Densities (ρ), speeds of sound (u), and viscosities (η) for three binary mixtures of allyl alcohol with 3-amino-propan-1-ol, 2-amino-2-methyl-propan-1-ol (aminomethyl propanol), and 1-amino propan-2-ol (isopropanol amine) were calculated at temperatures ranging from 303.15 to 313.15K and at atmospheric pressure over the entire composition range. Experimental measurements were used to calculate the excess molar volume, excess isentropic compressibility, deviation in viscosity, and excess Gibbs free energy of the activation of viscous flow. Partial molar properties and partialmolar properties at infinite dilution are also calculated. The Prigogine–Flory–Patterson (PFP) theory is applied to identify the predominant molecular interaction. The results of the Jouyban–Acree model are discussed in terms of the mean relative deviation (MRDs) and individual relative deviation (IRD) between the calculated and experimental parameters as an accuracy criterion. FTIR studies have also been added to confirm the experimental findings of the investigated mixtures.

Studies on thermodynamics properties of binary mixtures of amyl acetate with propanol at T = 298.15 K to 318.15 K

The thermophysical properties of amyl acetate and isomers of propanol are critical for a variety of industrial, scientific, and safety–related applications. The density (ρ), viscosity (η), speed of sound (u), and refractive index (nD) of binary amyl acetate (1) + propanol (2) mixtures were measured at T = 298.15 K–318.15 K and pressure of 0.1 MPa. The excess molar volume (VmE), deviation in viscosity (Δη), deviation in speed of sound (Δu), excess isentropic compressibility (κsE), and deviation in refractive index (ΔnD) were derived from measured data. The deviation parameters in binary mixtures are affected by H–bonding, interstitial accommodation, and dipole–dipole interactions. The VmE, Δη and κsE values were described with Graph theory, Prigogine-Flory-Patterson (PFP) theory, Singh model, and ab–initio approach. While the VmE and Δη rise with increment in temperature whereas Δu and ΔnD decrease with increase in temperature.

Volumetric and acoustic studies of binary mixtures of n-butylamine with propanol at T = (298.15-318.15) K

ABSTRACT This study investigated the molecular interactions within mixtures of n-butylamine (NBA) and isomers of propanol. We conducted an exhaustive analysis of excess molar volume ( V m E ), deviation in ultrasonic speed ( Δ u ), and excess isentropic compressibility ( κ s E ) by utilising the measured data of density ( ρ ) and ultrasonic speed ( u ) at T = 298.15 K to 318.15 K under pressure at 0.1 MPa. This led to the derivation of secondary properties such as partial ( V ˉ i ), excess partial ( V ˉ iE ), and apparent molar volume ( V φi ). As the temperature rises, the V m E become more negative, while the Δu values more positive. The RK equation was employed to fit the excess properties data, with further exploration through additional theories. The findings presented here offer vital insights into amine – alcohol mixtures and their thermodynamic and acoustic properties, which are invaluable for optimising related chemical engineering and industrial processes.

Thermophysical properties of ethyl levulinate and n-alkanol systems

Some thermophysical properties such as densities, speeds of sound, refractive indices, and heat flows of the binary systems ethyl levulinate and n-alkanols (methanol, ethanol, 1-propanol, and 1-butanol) are reported in the temperature range T = (283.15–313.15) K and at p = 100 kPa. From these experimental data, the excess properties were calculated and correlated with the composition using a modified Redlich–Kister equation. The excess molar volumes were negative for short-chain alcohols and positive for 1-propanol and 1-butanol. The excess refractive indices exhibited the opposite behaviour. The excess isentropic compressibilities were negative and the excess molar enthalpies, were positive. The perturbed chain statistical associating fluid theory equation of state (PC-SAFT EoS) was successfully applied to correlate the densities of the mixtures, and good qualitative results in the computation of the excess molar enthalpy were obtained. Furthermore, Schaaff’s collision factor theory (SCFT) and the Laplace mixing rule were coupled with PC-SAFT to predict the speed of sound and the refractive index, respectively.

Study on the molecular interactions of binary mixtures of allyl alcohol with isomeric amyl alcohol solvents through thermodynamic properties and FT-IR spectra and correlation with the Jouyban–Acree model

ABSTRACT Excess molar volume, excess isentropic compressibility, deviation in viscosity and excess Gibbs free energy for activation of viscous flow for binary mixtures of allyl alcohol (AA) with 2-methyl-2-butanol (2M2B), 2-methyl-1-butanol (2M1B) and 3-methyl-2-butanol (3M1B) components in different compositions were determined from the measured values of densities (ρ), viscosities (η) and speeds of sound (u) of pure components and their mixtures at various temperatures ranging from 303.15 K to 313.15 K. The excess properties have been discussed in terms of disruption of H-bonding and dipole–dipole interaction between the components of the mixtures. The Jouyban–Acree model results are discussed in terms of mean relative deviation (MRD) and individual relative deviation (IRD) between calculated and experimental parameters as an accuracy criterion and obtained a good agreement. The thermodynamic functions of activation of viscous flow have been estimated and tested. FTIR studies further confirm the experimental findings.

Thermodynamic parameters of hexylene glycol with isomeric butanols at various temperatures

ABSTRACT Excess molar volume, excess isentropic compressibility, deviation in viscosity and excess Gibbs free energy of activation of viscous flow for binary mixtures of Hexylene glycol (2-methyl-2,4-pentanediol- or MPD) with 1-butanol (J1), 2-butanol (J2) and 2-methyl-2-propanol (J3) components selected compositions were determined from the measured values of densities (ρ), viscosities ( η ), and speeds of sound (u) of pure components and their mixtures from 303.15 K to 313.15 K. The results are analysed in terms of intermolecular interactions or hydrogen bonding or hetero-association interactions in the binary mixtures. Finally, the Prigogine-Flory-Patterson (PFP) Theory is applied to identify the most predominant molecular interaction. Using Jouyban–Acree model, results are discussed in terms of mean relative deviation (MRDs) and individual relative deviation (IRD) between calculated and experimental densities, speeds of sound and viscosities as an accuracy criterion.

Thermodynamic properties of P-methyl acetophenone with cyclohexylamine, cyclohexanol, and cyclohexane at various temperatures (strong and weak interactions)

ABSTRACT The density, viscosity and sound velocity of the binary liquid mixtures of P-methyl acetophenone with cyclohexylamine, cyclohexanol, and cyclohexane are measured over the complete composition range at temperatures of 303.15–313.15 K and at atmospheric pressure of 0.1 M. Excess molar volume, excess isentropic compressibility and viscosity deviation are calculated from the experimental measurements. The sign and magnitude of the derived parameters reveal the nature and type of interactions between the constituent molecules in the binary mixtures. Thermodynamic properties for this work reveal association interactions between dissimilar molecules in the binary systems P-methyl acetophenone + cyclohexylamine and P-methyl acetophenone + cyclohexanol systems, whereas dispersion forces cause the opposite trend in the other binary system P-methyl acetophenone + cyclohexane.

Thermophysical properties of binary liquid mixtures at various temperatures, supported by FTIR spectral studies and correlation with the Jouyban–Acree model (allyl alcohol, benzyl aldehyde, benzylamine and benzyl alcohol)

ABSTRACT Excess molar volume, excess isentropic compressibility, deviation in viscosity and excess Gibbs free energy for activation of viscous flow for binary mixtures of allyl alcohol (C) with benzyl aldehyde (C1), benzylamine (C2) and benzyl alcohol (C3) components in selected compositions were determined from the measured values of densities (ρ), viscosities (η) and speeds of sound (u) of pure components and their mixtures at 303.15–313.15 K. These results were analysed by different theoretical models, such as PFP and Jouyban–Acree model. The effect of various functional groups on the excess properties was discussed in terms of disruption of H-bonding and dipole–dipole interaction between the components of the mixtures. The thermodynamic results of the present investigation have been correlated with FTIR spectral studies and have obtained a good agreement.

Physicochemical properties, theoretical modelling and molecular interaction analysis in ternary liquid mixtures containing 1-propanol, 1,3-diaminopropane and ethyl acetate at temperature 298.15–318.15 K

In the present report, density (ρ), viscosity (η), speed of sound (u) and refractive index (nD) of ternary liquid mixture containing 1-propanol (1P) (1) + 1,3-diaminopropane (1,3-DAP) (2) + ethyl acetate (EAc) (3) were measured at five different temperatures (T = 298.15 to 318.15 K) and at 0.1 MPa pressure. Data of ρ, η, u and nD were used to compute the excess molar volume, VmE, deviation in viscosity, Δη, deviation in ultrasonic speed, Δu, excess isentropic compressibility, ksE, excess free volume, VfE, excess intermolecular free length, LfE, excess available volume, VaE, and deviation in refractive index, ΔnD, and these computed physicochemical properties were fitted to Singh equation. The VmE data were fitted to the Nagata and Cibulka equations. Further, Kohler model, Tsao-Smith model, Radojkovic model, Jacob-Fitzner model and Rastogi model were used to calculate the VmE values. The speed of sound data was analyzed by various correlations such as Van Dael, Nomato, Impedance dependence, Schaaff’s collision factor theory (CFT) and Jacobson’s free length theory (JFLT). Various correlations like Heller, Arago-Biot, Lorentz-Lorenz, Erying, Newton, Gladstone-Dale, and Weiner were used to correlate nD data.

Investigations on the thermo physical properties of the binary mixtures of 2-methyl-pentanediol-2,4 with n-alkanols at various temperatures (hexylene glycol with 1-octanol, 1-nonanol, 1-decanol)

ABSTRACT Densities (ρ), speeds of sound (u) and viscosities (η) for three binary mixtures of hexylene glycol (2-methyl-2,4-pentanediol or MPD) with 1-octanol (D1), 1-nonanol (D2) and 1-decanol (D3) are calculated at temperatures ranging from 303.15 to 313.15 K and atmospheric pressure over the entire composition range. Experimental measurements are used to calculate the excess molar volume, excess isentropic compressibility, deviation in viscosity and excess Gibbs-free energy of activation of viscous flow. Partial molar properties and infinite dilution molar partial properties are also calculated for each binary system. The results obtained can be discussed in terms of weaker interactions and dispersion forces with the absence of specific intermolecular interactions in binary mixtures. Finally, the Prigogine-Flory-Patterson (PFP) theory is applied to identify the most predominant molecular interaction. Jouyban-Acree model results are discussed in terms of mean relative deviation (MRDs) and individual relative deviation (IRD) between calculated and experimental densities, speeds of sound and viscosities as an accuracy criterion.

Physiochemical properties of the binary liquid mixtures of 2-methyl-2,4-pentanediol with selected di- and tri-chloro-substituted benzene and correlation with the Jouyban–Acree model at various temperatures

ABSTRACT Excess molar volume, excess isentropic compressibility, deviation in viscosity and excess Gibbs free energy for the activation of viscous flow for binary mixtures of 2-methyl-2,4-pentanediol (MPD) with 1,2-dichlorobenzene (1,2-DCB), 1,3-dichlorobenzene (1,3-DCB) and 1,2,4-trichlorobenzene (1,2,4-TCB) components selected compositions are determined from the measured values of densities (ρ), speeds of sound (u) and viscosities (η) of pure components and their mixtures from 303.15 K to 313.15 K. The results are analysed in terms of intermolecular interactions or hydrogen bonding or hetero-association interactions in the binary mixtures. The Prigogine–Flory–Patterson (PFP) theory is applied to identify the predominant molecular interaction. The results of Jouyban–Acree model are discussed in terms of mean relative deviation (MRD) and individual relative deviation (IRD) between the calculated and experimental densities, speeds of sound and viscosities as accuracy criteria.

Volumetric, acoustic, and optical properties of binary mixtures of diethyl ether with alkanol at T = 293.15 K to 303.15 K

Density (ρ), ultrasonic speed (u), and refractive index (nD) of binary liquid mixtures such as diethyl ether (DEE) (1) + alkanol (isomers of propanol and 1-butanol) (2) were experimentally measured at T = 293.15 K to 303.15 K and at 0.1 MPa pressure. By using these measurements excess molar volume (VmE), deviation in ultrasonic speed (Δu), excess isentropic compressibility (κsE), and deviation in refractive index (ΔnD) were computed and associated with the Redlich-Kister polynomial equation. It was found that deviation parameters are influenced by H–bonding, interstitial accommodation, and dipole–dipole molecular interactions between binary mixtures. The VmE values have been interpreted by the Prigogine–Flory–Patterson (PFP) theory and the Flory–Treszczanowicz–Benson (FTB) model. The FTB model and PFP theory anticipated the VmE curves and were able to depict the perfect shape and magnitude of VmE values. The numeric values of u and nD were computed by using several empirical correlations and mixing rules. This study discusses the comparative significance of these relationships with the measured values of u and nD.

Density and speed of sound of (iodobenzene + n-alkane) liquid mixtures at T = (288.15 to 308.15) K. Application of the Prigogine-Flory-Patterson model

(Iodobenzene + n-alkane) liquid mixtures have been studied experimentally, in terms of densities (ρ) and speeds of sound (c), and theoretically, by the application of the Prigogine-Flory-Patterson (PFP) model. The n-alkanes considered are n-heptane, n-decane, n-dodecane, and n-tetradecane. ρ and c measurements have been performed at a pressure p = 0.1 MPa and in the temperature range T = (288.15 to 308.15) K. Excess molar volumes (VmE) and excess isentropic compressibilities (κSE) have been calculated and correlated by Redlich-Kister polynomials. (∂VmE/∂T)p curves at the same (p,T) conditions have been obtained from correlated VmE values. The mixtures are characterized by the following features: (i) VmE increases with the number of carbon atoms of the n-alkane (n), being negative for n = 7, small and S-shaped with positive and negative values for n = 10, and positive for n = 12 and n = 14; (ii) κSE and (∂VmE/∂T)p are negative, increase with n and are very close to zero for n = 14. From these experimental results and the knowledge of the excess molar enthalpies of mixtures containing fluorobenzene, chlorobenzene or bromobenzene with n-alkanes, we have inferred the presence of structural effects, especially important for n = 7 and less relevant for volumetric properties as n increases. The VmE obtained are compared with those of other (halogenated benzene + n-alkane) liquid mixtures existing in the literature, namely systems with fluorobenzene, chlorobenzene, and bromobenzene. From this comparison and the analysis of the isobaric thermal expansion coefficients of the pure compounds, it is inferred that the interactional effects on VmE do not vary appreciably with the length of the n-alkane, so the observed VmE variation is fundamentally determined by the corresponding variation of the contribution from structural effects. Moreover, the application of the PFP model supports this interpretation, providing free volume contributions to VmE that vary parallelly to VmE with the length of the n-alkane, and interactional contributions that rest approximately constant independently of the n-alkane size.