Densities, Speeds of Sound, and Viscosities of Binary Mixtures of ann-Alkylcyclohexane (n-Propyl-,n-Pentyl-,n-Hexyl-,n-Heptyl,n-Octyl-,n-Nonyl-,n-Decyl-, andn-Dodecyl-) withn-Hexadecane

Abstract

This work reports densities, speeds of sound, and viscosities of binary mixtures of n-alkylcyclohexanes (propyl- to dodecylcyclohexane) in n-hexadecane as a function of temperature. Isentropic bulk moduli for these mixtures were calculated from these speed of sound and density data. Mixture densities increased with increasing alkylcyclohexane concentration. As the alkyl-chain length on the alkylcyclohexane increased, the excess molar volume decreased, with n-propylcyclohexane and n-dodecylcyclohexane mixtures having positive and negative excess molar volumes, respectively. Molecular dynamics simulations accurately predict densities and isentropic bulk moduli of n-propylcyclohexane and n-dodecylcyclohexane mixtures, and suggest that the differences in excess molar volumes for different alkyl-chain lengths are related to changes in molecular packing. The speed of sound as a function of mole fraction was modeled using a second-order polynomial, and viscosities were modeled using the McAllister three-body equation. Excess speeds of sound and excess molar Gibbs energies of activation for viscous flow at 293.15 K were not statistically different from zero, which suggest ideal behavior. Many of these mixtures have densities similar to those of petroleum-based diesel and jet fuel and viscosities comparable to diesel fuel. The isentropic bulk modulus of jet fuel is best matched by mixtures of n-propylcyclohexane, while that of diesel fuel is matched by mixtures of n-decylcyclohexane or n-dodecylcyclohexane.

Density and Viscosity of Binary Mixtures Composed of Anisole with Dodecane, Hexadecane, Decalin, or 1,4-Dioxane: Experiments and Modeling

“…All pure compound data obtained in this work are shown in Table . Our results are in agreement with data from the literature for anisole, , dodecane, − hexadecane, − decalin, , and 1,4-dioxane. , The comparison of experimental densities is shown in Figure a, and it is observed that all absolute relative deviation (ARD(%)) values are below 0.2%, as presented in Figure b. Viscosity measurements are shown in Figure a with all ARD(%) values within 4%, as observed in Figure b.…”

“…(a) Logarithm of dynamic viscosity as a function of 1000 times the inverse temperature of anisole (red box solid), dodecane (blue triangle down solid), hexadecane (pink triangle right-pointing solid), decalin (gray triangle up solid), and 1,4-dioxane (black circle solid) at a pressure of 101.3 kPa and (b) ARD(%) of the literature date compared with this work. Comparison with data reported by Nayak et al 20 (red triangle right-pointing open), Baragi and Aralaguppi 21 (red star open), Dai et al22 (blue circle open), Zhao et al23 (blue triangle up open), Zhang et al24 (blue boxbar), Prak et al25 (blue cross), Liu and Zhu26 (blue diamond open), Sirbu et al27 (pink triangle left-pointing open), Prak et al28 (pink plus), Aissa et al29 (pink triangle down open), Wang et al30 (pink pentagon open), Esteban et al31 (pink vertical bar), Omota et al34 (black hexagon open), Habibullah et al35 (black symmetry), Qin et al32 (gray square dotted), Silva et al33 (gray circle bar). The dotted line (•••) represents the PR-EoS + MHV + NRTL + FT modeling using parameters reported in Tables3 and 4.…”

“…The dotted line (•••) represents the PR-EoS model with parameters reported in Table 3. 22 (blue circle open), Zhao et al 23 (blue triangle up open), Zhang et al 24 (blue boxbar), Prak et al 25 (blue cross), Liu and Zhu 26 (blue diamond open), Sirbu et al 27 (pink triangle left-pointing open), Prak et al 28 (pink plus), Aissa et al 29 (pink triangle down open), Wang et al 30 (pink pentagon open), Esteban et al 31 (pink vertical bar), Omota et al 34 (black hexagon open), Habibullah et al 35 (black symmetry), Qin et al 32 (gray square dotted), Silva et al 33 (gray circle bar). The dotted line (•••) represents the PR-EoS + MHV + NRTL + FT modeling using parameters reported in Tables 3 and 4.…”

Physical Properties of Binary Mixtures of n-Dodecane and Various Ten-Carbon Aromatic Compounds (2-Methyl-1-phenylpropane, 2-Methyl-2-phenylpropane, 2-Phenylbutane, and 1,3-Diethylbenzene): Densities, Viscosities, Speeds of Sound, Bulk Moduli, Surface Tensions, and Flash Points at T = (293.15–333.15) K and 0.1 MPa

“…All methods have been described in previous works. , The speed of sound and density at various temperatures from (293.15 to 333.15) K were measured using an Anton Paar DSA 5000 M sound and density analyzer. This instrument uses sound waves at 3 MHz and is described in detail by Fortin et al The viscosity was measured using an Anton Paar SVM 3001 viscometer at 10 K increments from 293.15 to 333.15 K. Both instruments were set to the highest precision level for all measurements, and they were tested and calibrated with certified standards from NIST (toluene), Anton Paar (water), Paragon Scientific (APS3), and Cannon (N1.0) and with degassed ultrapure water prepared in the laboratory.…”

Thermophysical Properties of Binary Mixtures of n-Dodecane with n-Alkylcyclohexanes: Experimental Measurements and Molecular Dynamics Simulations

“…Molecular dynamics (MD) simulations have been shown to accurately predict thermophysical properties of hydrocarbon mixtures. , This is particularly useful in cases where properties are problematic to measure or where time and equipment constraints limit the number of properties that can be examined. Previous MD simulations have demonstrated some of the ways the structure of molecules in mixtures that gives rise to observed trends in physical properties.…”