Thermodynamics of binary mixtures of aliphatic linear alkanes (C<sub>6</sub>–C<sub>12</sub>) at 298.15 K

Touriño, A.; Hervello, Martín F.; Moreno, Virtudes; Iglesias, M.; Marino, G.

doi:10.1080/0031910021000059054

Cited by 30 publications

(15 citation statements)

References 26 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…1, the changes of isentropic compressibilities at each ternary mixture are showed as a function of solvent molar fraction, where the influence of the methylene group contribution difference can be observed. In what is referred to n-alkanes, the functional variation decreases the negative change of isentropic compressibility from n-hexane to n-nonane, progressively, as observed in our studies [18] and recent ternary experiments in our laboratory [10,24,25]. As it is observed in Figs.…”

Section: Results and Conclusionsupporting

confidence: 70%

“…In this case, the steric hindrance is the most important factor in mixing thermodynamics due to the globular structure and the slight polarity in the halogenated compound and the quasi-linear chain of n-alkane. Disruption of polar interaction among chlorobenzene molecules deals progressively from negative to positive values through the aliphatic homologous series of n-alkanes [18] when molecular weight is increased. In the mixture chlorobenzene þ n-hexane þ (n-heptane or n-octane), chloride and methylene groups are contained and the tendence in changes of isentropic compressibility could be explained attending to the following factors; first, steric hindrance between phenyl group and aliphatic chain, that makes the molecular packing difficult by induction and polar interaction far away from equimolar composition.…”

Section: Results and Conclusionmentioning

confidence: 99%

“…These binary parameters were collected from previous works [18,19]. The B p parameters were computed using a nonlinear optimization algorithm due to Marquardt [20].…”

Section: Correlation Of Derived Magnitudesmentioning

confidence: 99%

See 2 more Smart Citations

Ultrasonic velocity measurements for the ternary mixtures chlorobenzene +n-hexane + linear aliphatic alkane (C₇–C₈) at 298.15 K

Touriño¹,

Gayol²,

Marino³

et al. 2004

Physics and Chemistry of Liquids

Self Cite

View full text Add to dashboard Cite

The ultrasonic velocity of the ternary mixtures chlorobenzene þ n-hexane þ (n-heptane or n-octane) at 298.15 K and atmospheric pressure, has been measured over the whole concentration range. The corresponding change of isentropic compressibility was computed from the experimental data. The results were fitted by means of the Nagata equation, such parameters being gathered. The experimental ultrasonic velocities have been analyzed by theoretical procedures, an adequate agreement between the experimental and theoretical values both in magnitude and sign being obtained, despite the high nonideal trend of mixtures.

show abstract

Section: Results and Conclusionsupporting

confidence: 70%

Section: Results and Conclusionmentioning

confidence: 99%

See 1 more Smart Citation

Ultrasonic velocity measurements for the ternary mixtures chlorobenzene +n-hexane + linear aliphatic alkane (C₇–C₈) at 298.15 K

Touriño¹,

Gayol²,

Marino³

et al. 2004

Physics and Chemistry of Liquids

Self Cite

View full text Add to dashboard Cite

show abstract

“…So, the design of an effective remediation strategy for the contamination of air, ground, and surface water with halogenated aromatic compounds of different nature, physical, chemical, and biodegradation potential of each contaminant must be researched. we have conducted in the last few years systematic studies on the thermodynamic properties of mixtures related to industrial processes [1][2][3][4], food technology [5,6], or pharmacological mixtures [7,8].…”

Section: Introductionmentioning

confidence: 99%

Changes of refractive indices of the ternary mixtures chlorobenzene +n-hexane + (n-nonane orn-decane) at 298.15 K

Touriño¹,

Gayol²,

Hervello³

et al. 2004

Physics and Chemistry of Liquids

View full text Add to dashboard Cite

The measures of the refractive indices of the ternary mixtures chlorobenzene þ n-hexane þ (n-nonane or n-decane) have been done at 298.15 K and atmospheric pressure in the whole composition diagram. The composition dependence of the derived magnitude has been compared with the data obtained with several theoretical models. Attending to the accurate results of these models, the equation of state enclosing mixing rules are pointed out as simple procedures for a multicomponent estimation of refractive indices, the corresponding binary parameters could be used to other thermophysical studies.

show abstract

“…The continuous curves represent the predictions with SAFT-γ Mie group contribution approach, and the dashed curves the corresponding description with SAFT-γ SW. 66,67 and enthalpy have been the subject of numerous studies, 115 including among others the seminal work of Flory and coworkers [138][139][140] and more recently the work of Blas and coworkers [141][142][143] within the SAFT framework. An example of the performance of the SAFT-γ Mie approach is illustrated in Figure 15, where the predictions of the theory are compared to experimental data for the excess speed of sound (u E ) of selected n-hexane + n-alkane binary mixtures 144 (cf. Figure 15(a)), and the excess molar volumes (V E ) of the binary mixture of n-hexane + n-hexadecane at different temperatures 145 (cf.…”

Section: Binary Systemsmentioning

confidence: 99%

Group contribution methodology based on the statistical associating fluid theory for heteronuclear molecules formed from Mie segments

Papaioannou

Lafitte

Avendaño

et al. 2014

The Journal of Chemical Physics

237

429

View full text Add to dashboard Cite

A group contribution method for associating chain molecules based on the statistical associating fluid theory (SAFT-) The Journal of Chemical Physics 127, 234903 (2007) (2013)] is formulated within the framework of a group contribution approach (SAFT-γ Mie). Molecules are represented as comprising distinct functional (chemical) groups based on a fused heteronuclear molecular model, where the interactions between segments are described with the Mie (generalized Lennard-Jonesium) potential of variable attractive and repulsive range. A key feature of the new theory is the accurate description of the monomeric group-group interactions by application of a high-temperature perturbation expansion up to third order. The capabilities of the SAFT-γ Mie approach are exemplified by studying the thermodynamic properties of two chemical families, the n-alkanes and the n-alkyl esters, by developing parameters for the methyl, methylene, and carboxylate functional groups (CH 3 , CH 2 , and COO). The approach is shown to describe accurately the fluid-phase behavior of the compounds considered with absolute average deviations of 1.20% and 0.42% for the vapor pressure and saturated liquid density, respectively, which represents a clear improvement over other existing SAFT-based group contribution approaches. The use of Mie potentials to describe the group-group interaction is shown to allow accurate simultaneous descriptions of the fluid-phase behavior and second-order thermodynamic derivative properties of the pure fluids based on a single set of group parameters. Furthermore, the application of the perturbation expansion to third order for the description of the reference monomeric fluid improves the predictions of the theory for the fluid-phase behavior of pure components in the near-critical region. The predictive capabilities of the approach stem from its formulation within a group-contribution formalism: predictions of the fluid-phase behavior and thermodynamic derivative properties of compounds not included in the development of group parameters are demonstrated. The performance of the theory is also critically assessed with predictions of the fluid-phase behavior (vapor-liquid and liquid-liquid equilibria) and excess thermodynamic properties of a variety of binary mixtures, including polymer solutions, where very good agreement with the experimental data is seen, without the need for adjustable mixture parameters.

show abstract

Thermodynamics of binary mixtures of aliphatic linear alkanes (C₆–C₁₂) at 298.15 K

Cited by 30 publications

References 26 publications

Ultrasonic velocity measurements for the ternary mixtures chlorobenzene +n-hexane + linear aliphatic alkane (C₇–C₈) at 298.15 K

Ultrasonic velocity measurements for the ternary mixtures chlorobenzene +n-hexane + linear aliphatic alkane (C₇–C₈) at 298.15 K

Changes of refractive indices of the ternary mixtures chlorobenzene +n-hexane + (n-nonane orn-decane) at 298.15 K

Group contribution methodology based on the statistical associating fluid theory for heteronuclear molecules formed from Mie segments

Contact Info

Product

Resources

About

Thermodynamics of binary mixtures of aliphatic linear alkanes (C6–C12) at 298.15 K

Cited by 30 publications

References 26 publications

Ultrasonic velocity measurements for the ternary mixtures chlorobenzene +n-hexane + linear aliphatic alkane (C7–C8) at 298.15 K

Ultrasonic velocity measurements for the ternary mixtures chlorobenzene +n-hexane + linear aliphatic alkane (C7–C8) at 298.15 K

Changes of refractive indices of the ternary mixtures chlorobenzene +n-hexane + (n-nonane orn-decane) at 298.15 K

Group contribution methodology based on the statistical associating fluid theory for heteronuclear molecules formed from Mie segments

Contact Info

Product

Resources

About

Thermodynamics of binary mixtures of aliphatic linear alkanes (C₆–C₁₂) at 298.15 K

Ultrasonic velocity measurements for the ternary mixtures chlorobenzene +n-hexane + linear aliphatic alkane (C₇–C₈) at 298.15 K

Ultrasonic velocity measurements for the ternary mixtures chlorobenzene +n-hexane + linear aliphatic alkane (C₇–C₈) at 298.15 K