Measurements of VLE, hE and vE for binary mixtures of n-alkanes with n-alkylbenzenes

Paul, Hanns‐Ingolf; Krug, Joseph; Knapp, H.

doi:10.1016/0040-6031(86)85073-0

Cited by 31 publications

(6 citation statements)

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“…In Figure 5b the SAFT-γ Mie description of the excess volume is shown for the binary mixtures: propylbenzene + n-octane, propylbenzene + nnonane, and butylbenzene + n-heptane. The proposed GC approach provides a good semiquantitative description of the experimental data: a positive excess volume is correctly predicted for propylbenzene + n-octane and propylbenzene + n-nonane, while a negative excess volume is correctly predicted The symbols represent the experimental data and the continuous curves the description with the SAFT-γ Mie approach: (a) excess molar enthalpy of mixing for n-hexane + n-hexanoic acid (circles) 90 and n-heptane + n-hexanoic acid (squares); 91 (b) excess molar volume of mixing for npropylbenzene + n-octane (circles), 92,93 n-propylbenzene + n-nonane (squares), 93 and n-butylbenzene + n-heptane (triangles). 94,95 88 n-butyl acetate + n-octadecane (squares), 89 and n-butyl acetate + n-eicosane (triangles) 89 at a pressure of P = 101 kPa.…”

Section: ■ Results and Discussionmentioning

confidence: 99%

“…Isothermal–isobaric excess properties of mixing for selected binary mixtures at ambient conditions ( T = 298.15 K and P = 101 kPa). The symbols represent the experimental data and the continuous curves the description with the SAFT-γ Mie approach: (a) excess molar enthalpy of mixing for n -hexane + n -hexanoic acid (circles) and n -heptane + n -hexanoic acid (squares); (b) excess molar volume of mixing for n -propylbenzene + n -octane (circles), , n -propylbenzene + n -nonane (squares), and n -butylbenzene + n -heptane (triangles). , …”

Section: Resultsmentioning

confidence: 99%

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Prediction of Thermodynamic Properties and Phase Behavior of Fluids and Mixtures with the SAFT-γ Mie Group-Contribution Equation of State

et al. 2014

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Group contribution (GC) approaches are based on the premise that the properties of a molecule or a mixture can be determined from the appropriate contributions of the functional chemical groups present in the system of interest. Although this is clearly an approximation, GC methods can provide accurate estimates of the properties of many systems and are often used as predictive tools when experimental data are scarce or not available. Our focus is on the SAFT-γ Mie approach [Papaioannou, V.; Lafitte, T.; Avendaño, C.; Adjiman, C. S.; Jackson, G.; Müller, E. A.; Galindo, A. Group contribution methodology based on the statistical associating fluid theory for heteronuclear molecules formed from Mie segments. J. Chem. Phys. 2014, 140, 054107–29] which incorporates a detailed heteronuclear molecular model specifically designed for use as a GC thermodynamic platform. It is based on a formulation of the recent statistical associating fluid theory for Mie potentials of variable range, where a formal statistical–mechanical perturbation theory is used to maintain a firm link between the molecular model and the macroscopic thermodynamic properties. Here we summarize the current status of the SAFT-γ Mie approach, presenting a compilation of the parameters for all functional groups developed to date and a number of new groups. Examples of the capability of the GC method in describing experimental data accurately are provided, both as a correlative and as a predictive tool for the phase behavior and the thermodynamic properties of a broad range of complex fluids.

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Section: ■ Results and Discussionmentioning

confidence: 99%

Section: Resultsmentioning

confidence: 99%

Prediction of Thermodynamic Properties and Phase Behavior of Fluids and Mixtures with the SAFT-γ Mie Group-Contribution Equation of State

et al. 2014

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“…As has been pointed out previously by the authors (5,6), hE cannot reliably (quantitatively) be predicted from the temperature dependence of gE.…”

Section: Data Reductionmentioning

confidence: 74%

“…Table II shows a summary of the experimental inaccuracies of the instruments and apparatus. A detailed description of the experimental equipment and procedure is given in (5,6).…”

Section: Methodsmentioning

confidence: 99%

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Measurements of VLE, vE and hE for binary mixtures of 1-chlorohexane with three n-alkylbenzenes: toluene, ethylbenzene, n-propylbenzene

Paul¹,

Krug²,

Knapp³

1988

J. Chem. Eng. Data

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Methoden zur Beschaffung von Information über Stoffeigenschaften

Knapp

1987

Chemie Ingenieur Technik

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Methods of obtaining information about properties of materials.A knowledge of the properties of the materials and mixtures to be processed, and the materials of construction is essential for the process engineering design of plant and for dimensioning machines and apparatus. Inter alia, the thermal and calorific properties and the transport properties of fluid materials, and also the mechanical and chemical-corrosive properties of the materials of construction should be known. The desired information can initially only be found by experiment. Today it is (still) impossible to calculate the macroscopic properties of substances with the necessary degree of accuracy from the properties of the molecules or even the elementary particles with the aid of (generally imperfect and incomplete) physicochemical models. The microscopic concepts are nevertheless extremely important for setting up correlation equations with which the measured values can be interpolated and extrapolated.

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Measurements of VLE, hE and vE for binary mixtures of n-alkanes with n-alkylbenzenes

Cited by 31 publications

References 9 publications

Prediction of Thermodynamic Properties and Phase Behavior of Fluids and Mixtures with the SAFT-γ Mie Group-Contribution Equation of State

Prediction of Thermodynamic Properties and Phase Behavior of Fluids and Mixtures with the SAFT-γ Mie Group-Contribution Equation of State

Measurements of VLE, vE and hE for binary mixtures of 1-chlorohexane with three n-alkylbenzenes: toluene, ethylbenzene, n-propylbenzene

Methoden zur Beschaffung von Information über Stoffeigenschaften

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