Dataset Information

Thermophysical Properties of Alkanone + Aromatic Amine Mixtures at Varying Temperatures.

ABSTRACT: In the present investigation, an attempt has been made to evaluate internal pressure (Pi) , energy (ΔEvap) , and enthalpy of vaporization (ΔHvap) along with excess entropy (SE) and excess isothermal compressibility (βTE) for binary solutions of alkanones (2-propanone, 2-butanone, and 2-heptanone) and aromatic amines (aniline, N-methylaniline, and pyridine) at 293.15, 298.15, and 303.15 K, respectively. The cohesive energy density (CED) and solubility parameter (δ) are studied to understand the strength of molecular interactions. The coefficient of thermal expansion (α) and isothermal compressibility (βT) have also been investigated using empirical equations and have been employed to understand the molecular interactions. All the evaluated properties have been used to understand the nature and extent of intermolecular interactions taking place. The observed trends in the properties and their variations have been discussed in terms of varying chain lengths of the alkyl group and the hydrogen bonding capability of the components. The findings show that the extent of interactions follows an order: aniline > NMA > pyridine, keeping the alkanone constant at all the temperatures under study.

SUBMITTER: Prabhune A

PROVIDER: S-EPMC9204321 | biostudies-literature | 2022

REPOSITORIES: biostudies-literature

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Thermophysical Properties of Alkanone + Aromatic Amine Mixtures at Varying Temperatures.

Prabhune Aditi A Natekar Amrita A Dey Ranjan R

Frontiers in chemistry 20220526

In the present investigation, an attempt has been made to evaluate internal pressure ( P i ) , energy ( Δ E v a p ) , and enthalpy of vaporization ( Δ H v a p ) along with excess entropy ( S E ) and excess isothermal compressibility ( β T E ) for binary solutions of alkanones (2-propanone, 2-butanone, and 2-heptanone) and aromatic amines (aniline, N-methylaniline, and pyridine) at 293.15, 298.15, and 303.15 K, respectively. The cohesive energy density (CED) and solubility paramet ...[more]

PMID: 35720983

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Project description:Deep-eutectic solvents and room temperature ionic liquids are increasingly recognised as appropriate materials for use as active pharmaceutical ingredients and formulation additives. Aqueous mixtures of choline and geranate (CAGE), in particular, have been shown to offer promising biomedical properties but understanding the thermophysical behaviour of these mixtures remains limited. Here, we develop interaction potentials for use in the SAFT-γ Mie group-contribution approach, to study the thermodynamic properties and phase behaviour of aqueous mixtures of choline geranate and geranic acid. The determination of the interaction parameters between chemical functional groups is carried out in a sequential fashion, characterising each group based on those previously developed. The parameters of the groups relevant to geranic acid are estimated using experimental fluid phase-equilibrium data such as vapour pressure and saturated-liquid density of simple pure components (n-alkenes, branched alkenes and carboxylic acids) and the phase equilibrium data of mixtures (aqueous solutions of branched alkenes and of carboxylic acids). Geranate is represented by further incorporating the anionic carboxylate group, COO-, which is characterised using aqueous solution data of sodium carboxylate salts, assuming full dissociation of the salt in water. Choline is described by incorporating the cationic quaternary ammonium group, N+, using data for choline chloride solutions. The osmotic pressure of aqueous mixtures of CAGE at several concentrations is predicted and compared to experimental data obtained as part of our work to assess the accuracy of the modelling platform. The SAFT-γ Mie approach is shown to be predictive, providing a good description of the measured data for a wide range of mixtures and properties. Furthermore, the new group-interaction parameters needed to represent CAGE extend the set of functional groups of the group-contribution approach, and can be used in a transferable way to predict the properties of systems beyond those studied in the current work.

Dataset Information

Thermophysical Properties of Alkanone + Aromatic Amine Mixtures at Varying Temperatures.

Publications

Thermophysical Properties of Alkanone + Aromatic Amine Mixtures at Varying Temperatures.

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