Densities and Excess Molar Volumes for the Binary and Ternary Systems of (1,4-Dioxane, 1-Propanol or 2-Propanol, and 1,2-Dichloroethane) at T = (288.15 to 318.15) K. Experimental Measurements and Prigogine–Flory–Patterson Modeling

Abstract

Densities, ρ, and molar excess volumes, V E , for binary and ternary systems of (1,4-dioxane, 1-propanol or 2-propanol, and 1,2dichloroethane) were measured over the whole composition range, at T = [288.15, 298.15, 308.15, and 318.15] K, and atmospheric pressure. The density measurements were performed using an Anton Paar vibrating U-tube densimeter. The binary mixtures of 1-propanol or 2-propanol with 1,4-dioxane present positive V E values over the whole composition and working temperature ranges, whereas with 1,2-dichloroethane even negative V E values are observed at higher alcohol mole fraction and at lower temperature. The V E magnitude, for the alkanol containing binary mixtures, increases as the temperature increases and decreases for 1,4-dioxane + 1,2-dichloroethane. The experimental V E data, for all the binary mixtures, were fitted to the Redlich−Kister equation. For all the ternary mixtures, the excess molar volumes are found to be positive and increase with the temperature increase. The experimental ternary V E values were fitted to the Cibulka equation. The capability of the Prigogine−Flory−Patterson theory (PFP model) in predicting excess volume, for binary mixtures, was tested. Comparison of the experimental V E values with the PFP calculations, for all the binary mixtures, at 298.15 K, was graphically presented.

Densities and Excess Molar Volumes of the Ternary System (1,4-Dioxane + 2-Propanol + 1,1,2,2-Tetrachloroethane) at T = 288.15–318.15 K and at Atmospheric Pressure: Experimental Measurements and Prigogine–Flory–Patterson Modeling

“…As in our previous work 7 , densities of binary and ternary mixtures and pure liquids, were measured using an Anton Paar vibrating U-tube densimeter (Model DMA-5000), where the temperature was automatically regulated to ± 0.01 K. All the mixtures were carried out by mass using a Metler balance. The ternary mixtures were prepared by adding the third component (1,1,2,2-tetrachloroethane) to fixed mole ratio of 1,4-dioxane (1) + 2-propanol (2) binary mixture.…”

“…Those for 1,4-dioxane + 2-propanol mixture were reported in our previous work. 7 The experimental V E values are fitted to the Redlich-Kister equation: 28…”

“…Setting (x 1 = 0) in eq (5) and (x 2 = 0) in eq (6), leads to eqs (7) and (8), for the partial molar volumes at infinite dilution, …”

“…Continuing our investigation of volumetric properties of liquid mixtures, , we are presently focused on 1,4-dioxane + 2-propanol + 1,1,2,2-tetrachloroethane ternary system with the aim to provide new experimental data on the volumetric properties of these mixtures and to test the PFP model. − A survey of the open literature shows little V E data for 1,4-dioxane + 2-propanol mixture at temperatures between 288.15–318.15 K, − whereas there are only two reports for 1,4-dioxane + 1,1,2,2-tetrachloroethane mixture at 303.15 K and 293.15 K, respectively . For the 2-propanol + 1,1,2,2-tetrachloroethane binary mixture and 1,4-dioxane + 2-propanol + 1,1,2,2-tetrachloroethane ternary one, there is no V E data report.…”

NBO and QTAIM investigations of the conformers of 1,4-dioxane-2,3-bis(pyridin-1-ium) and 1,4-dioxane-2,5-bis(pyridin-1-ium) molecules

“…Since 1,4dioxane is a probable human carcinogen and is highly miscible in water [1], special attention has been given to its presence in subsurface aquifers where it poses a health risk. Synthesis and properties of various compounds of the family of 1,4-dioxane molecules have been investigated in several studies [3][4][5][6][7][8][9][10][11].…”