Volumetric and transport properties of binary liquid mixtures of sulfolane with aniline, N,N-dimethylaniline and N,N-diethylaniline at different temperatures and atmospheric pressure

Aftabuzzaman, Mohammad; Islam, Mohammad Monirul; Nasiruddin, .; Rima, Farhana Rahman; Ali, M. Azhar

doi:10.1016/j.jct.2015.12.030

Cited by 17 publications

(3 citation statements)

References 19 publications

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“…This event causes more holes with appropriate sizes to be created for more and better placement of the components of the mixture and thus; V E m ; decreases. So, these results show that packing [46] 0.67430 0.669 [50] 298.15 0.86235 0.86433 [47] 0.62345 0.6299 [47] 0.8625 [48] 303.15 0.85932 0.86454 [49] 0.59754 0.5981 [47] 0.85995 [47] 0.5976 [49] 308.15 0.85341 0.85361 [14] 0.55840 0.558 [14] 313.15 0.85108 0.85114 [47] 0.53660 0.537 [47] 0.85976 [49] 0.5369 [49] Aniline 293.15 1.02186 1.0217 [51] 4.40530 4.407 [51] 1.021747 [52] 4.404 [52] 298.15 1.01757 1.0174 [51] 3.69330 3.737 [51] 1.017404 [52] 3.773 [52] 303.15 1.01323 1.0130 [51] 3.17430 3.197 [51] 1.013152 [52] 3.190 [52] 308.15 1.00889 1.0087 [53] 2.77950 2.800 [53] 1.0088 [54] 313.15 1.00454 1.0044 [53] 2.42160 2.420 [53] 1.0045 [54] 2.400 [54] Standard uncertainties, u, are: uðTÞ ¼ 0:01K; uðPÞ ¼ 0:01kPa, and the expanded uncertainties, U c in densities, U c ð1Þ ¼ �1:2kg � m À 3 and in viscosities, U c ðhÞ ¼ 3 � 10 À 2 (0.95 level of confidence). Table 3.…”

Section: Densitiesmentioning

confidence: 99%

A Combined Experimental, DFT and Molecular Dynamics Simulation Study of Binary Mixture of Ethylbenzene and Aniline

Fakhri,

Soltanabadi

2024

ChemistrySelect

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Density and viscosity values of the binary mixture of ethylbenzene and aniline have been experimentally measured in different mole fractions at temperatures of 293.15 to 313.15 K and at an absolute pressure of 86.7 kPa. Based on the obtained experimental data, the excess molar volume and viscosity deviations have been reported, which can interpret the interactions in this mixture. The obtained data were fitted with the Redlich‐Kister equation. In addition, the viscosity results are discussed using the equation proposed by Gruenberg‐Nissan. After experimental studies, in order to investigate the interactions of these two components and their mixture, quantum mechanical calculations and molecular dynamics simulation have been used. In this way, the structures of the desired molecules have been optimized. Then Atoms in Molecules (AIM) and frontier molecular orbital (FMO) techniques have been used for a more detailed investigation. Finally, by plotting radial distribution functions (RDFs) obtained from molecular dynamics, these interactions have been investigated in a more comprehensive way. In addition, the simulated densities at 298.15 K have been reported. At the end, clear pictures of the interactions of molecules in mixtures were obtained by comparing the achievements of experimental measurements, quantum chemical and calculations MD simulation.

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Section: Densitiesmentioning

confidence: 99%

A Combined Experimental, DFT and Molecular Dynamics Simulation Study of Binary Mixture of Ethylbenzene and Aniline

Fakhri,

Soltanabadi

2024

ChemistrySelect

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“…[1][2][3][4][5] The knowledge and understanding thermodynamic and transport properties comprising liquid mixtures has been used to resolve numerous challenges encountered in industrial processes, this also includes heat and mass transfer, fluid flow, and energy transformations. [6][7][8][9] The study of intermolecular interactions is one of the most interesting areas, and therefore, the application of experimental data and theoretical models are used to investigate the behavior of liquid mixtures. This work represents several transport and thermophysical properties of binary mixtures comprising (2-Benzylaminoethanol + Methanol, Ethanol, 1-Propanol, or 2-Propanol) at different temperatures as to investigate the nature and extent of intermolecular interactions occurring between the binary systems.…”

Section: Introductionmentioning

confidence: 99%

Intermolecular Interactions of Binary Mixtures Comprising 2‐Benzylaminoethanol with Alcohols (C₁−C₃) at Different Temperatures: Experiments and Modelling

Belabbaci,

Ayad,

Negadi

et al. 2024

ChemistrySelect

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This manuscript represents the physical quantities comprising the densities, speed of sound and refractive indices for the binary mixtures involving [2‐Benzylaminoethanol (BAE) with methanol, ethanol, 1‐propanol, or 2‐propanol] over a molar composition (xBAE=0–1). The measurements were conducted with the use of Anton Paar densimeter (DSA 5000 M) operated at different temperatures, T=(293.15–323.15) K and at atmospheric pressure. The intermolecular interactions occurring between the prepared binary mixtures were interpreted by computing the excess properties including excess molar volumes ( ), isentropic compressibilities ( ), intermolecular free length ( ), specific acoustic impedance ( ), relative association ( , relaxation strength ( ), and Rao's molar sound function ( ). The Redlich‐Kister polynomial equation was utilized to fit the computed excess properties and PC‐SAFT EoS was utilized for modeling the measured densities. In addition, the Laplace mixing rule as well as the Nomoto's relation were utilized for the modeling of refractive indices and speed of sound, respectively. The experimental data was found in good agreement with the theoretical data for the measured properties.

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“…The collected thermophysical data can be employed in the optimization and design of a desulfurization/CO 2 -capture process utilizing the studied solutions. Furthermore, this data can also be utilized for the theoretical model extension as well as in solving many difficult engineering problems such as fluid flow, heat and mass transfer, and energy transformations. − …”

Section: Introductionmentioning

confidence: 99%

Volumetric, Acoustic, and Refractive Behavior of Acid Gas Absorbers: N-Vinyl-2-pyrrolidinone and Glycol Ethers (2-(2-Ethoxyethoxy)ethanol, 2-(2-Butoxyethoxy)ethanol, and 2-(2-(2-Methoxyethoxy)ethoxy)ethanol)

Bakshi

Sharma

2023

J. Chem. Eng. Data

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Thermophysical properties such as density (ρ), speed of sound (u), and refractive index (n D) for pure N-vinyl-2-pyrrolidinone (NVP) and binary mixtures of NVP with 2-(2-ethoxyethoxy)ethanol (DEGMEE), 2-(2-butoxyethoxy)ethanol (DEGMBE), and 2-(2-(2-ethoxyethoxy)ethoxy)ethanol (TEGMME) have been measured over the whole range of mole fraction from temperature T = (298.15 to 323.15) K and at 0.1 MPa pressure employing an Anton Paar vibrating U-tube density and sound velocity meter (DSA 5000 M) and an Abbemat refractometer, respectively. To quantify the nonideality in these systems, the experimental data has been used to evaluate various acoustical and thermodynamic parameters, such as excess molar volume (V m E), deviation in the speed of sound (Δu), isentropic compressibility (κs), excess isentropic compressibility (κs E), deviation in refractive index (Δn D), molar refraction (R m), and polarizability (α). Molecular interactions prevailing in these systems have been explained in terms of variation in the measured and calculated values of physicochemical parameters. The collected thermophysical data can be employed in the optimization and design of a desulfurization/CO2-capture process utilizing the studied solutions. Furthermore, this data can also be utilized for the theoretical model extension as well as in solving many difficult engineering problems such as fluid flow, heat and mass transfer, and energy transformations.

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Volumetric and transport properties of binary liquid mixtures of sulfolane with aniline, N,N-dimethylaniline and N,N-diethylaniline at different temperatures and atmospheric pressure

Cited by 17 publications

References 19 publications

A Combined Experimental, DFT and Molecular Dynamics Simulation Study of Binary Mixture of Ethylbenzene and Aniline

A Combined Experimental, DFT and Molecular Dynamics Simulation Study of Binary Mixture of Ethylbenzene and Aniline

Intermolecular Interactions of Binary Mixtures Comprising 2‐Benzylaminoethanol with Alcohols (C₁−C₃) at Different Temperatures: Experiments and Modelling

Volumetric, Acoustic, and Refractive Behavior of Acid Gas Absorbers: N-Vinyl-2-pyrrolidinone and Glycol Ethers (2-(2-Ethoxyethoxy)ethanol, 2-(2-Butoxyethoxy)ethanol, and 2-(2-(2-Methoxyethoxy)ethoxy)ethanol)

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Volumetric and transport properties of binary liquid mixtures of sulfolane with aniline, N,N-dimethylaniline and N,N-diethylaniline at different temperatures and atmospheric pressure

Cited by 17 publications

References 19 publications

A Combined Experimental, DFT and Molecular Dynamics Simulation Study of Binary Mixture of Ethylbenzene and Aniline

A Combined Experimental, DFT and Molecular Dynamics Simulation Study of Binary Mixture of Ethylbenzene and Aniline

Intermolecular Interactions of Binary Mixtures Comprising 2‐Benzylaminoethanol with Alcohols (C1−C3) at Different Temperatures: Experiments and Modelling

Volumetric, Acoustic, and Refractive Behavior of Acid Gas Absorbers: N-Vinyl-2-pyrrolidinone and Glycol Ethers (2-(2-Ethoxyethoxy)ethanol, 2-(2-Butoxyethoxy)ethanol, and 2-(2-(2-Methoxyethoxy)ethoxy)ethanol)

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Intermolecular Interactions of Binary Mixtures Comprising 2‐Benzylaminoethanol with Alcohols (C₁−C₃) at Different Temperatures: Experiments and Modelling