Isothermal vapor-liquid equilibrium data for the system n-heptane-n-valeric acid at 50, 75, and 100.degree.

Lodl, Stanley J.; Scheller, William A.

doi:10.1021/je60035a006

Cited by 25 publications

(15 citation statements)

References 4 publications

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“…Relative deviations between experimental densities and calculated results using eq with constants from Table for pentanoic acid: ☆, this work; ■, Bahadur et al; □, Gabriela et al; ●, Vong and Tsai; ○, Letcher and Redhi; ▲, Costello and Bowden; △, Jannelli and Pansini; ▼, Lodl and Scheller; ▽, Klekers and Scheller; ◀, Vogel; ◁, Mumford and Phillips; ◆, Suarez and Romero …”

Section: Correlation Of Datamentioning

confidence: 89%

“…Deviations between our measured densities and calculated densities were generally less than the measurement uncertainty for each acid. On the other hand, most of the literature data published before 1980 7,26,[28][29][30][31][33][34][35]37,[39][40][41]43,45 exhibited larger deviations from calculated values. The data of Gabriela et al, 23 published in 1990, also exhibited large deviations below about 310 K.…”

Section: Correlation Of Datamentioning

confidence: 99%

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Density, Viscosity, and Thermal Conductivity of Eight Carboxylic Acids from (290.3 to 473.4) K

2016

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The density, viscosity, and thermal conductivity of eight carboxylic acids (pentanoic, hexanoic, heptanoic, octanoic, nonanoic, decanoic, dodecanoic, and tetradecanoic acid) were measured at ambient pressure and temperatures ranging from (290.3 to 473.4) K. The expanded uncertainties (k = 2) of the measurements were estimated to be 0.2 kg·m–3 for the density, 0.04 mPa·s for the viscosity, and 0.003 W·m–1·K–1 for the thermal conductivity (at the 95% level of confidence). The data were correlated using the Rackett equation (in the case of the density) and a modified rough hard-sphere (RHS) model (in the case of the viscosity and thermal conductivity). Generalized forms of the RHS model parameters are presented as functions of the carbon number and temperature.

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Section: Correlation Of Datamentioning

confidence: 89%

Section: Correlation Of Datamentioning

confidence: 99%

Density, Viscosity, and Thermal Conductivity of Eight Carboxylic Acids from (290.3 to 473.4) K

2016

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“…We recall that in determining the group interaction parameters needed to model pure carboxylic acids only pure component data and a limited set of selected excess-enthalpy data for two binary mixtures are used. The predicted and experimental [140,141] vapour-liquid equilibria of two mixtures of carboxylic acids + n-alkanes are compared in Figure 9. As is apparent the more symmetric mixture (pentanoic acid + n-heptane) exhibits an extensive vapour-liquid envelope without azeotropy, while in the case of the butanoic acid + n-octane an azeotrope is seen.…”

Section: Alkyl Carboxylic Acid + N-alkane Binary Mixturesmentioning

confidence: 99%

The development of unlike induced association-site models to study the phase behaviour of aqueous mixtures comprising acetone, alkanes and alkyl carboxylic acids with the SAFT-γ Mie group contribution methodology

Papaioannou

Dufal

Sadeqzadeh

et al. 2016

Fluid Phase Equilibria

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Providing accurate predictions of the thermodynamic properties of highly polar and hydrogen bonding compounds and their mixtures is challenging from a theoretical perspective. The combination of an equation of state (EoS) based on the statistical associating fluid theory (SAFT) with a group contribution (GC) methodology offers both accuracy and predictive capability for the thermodynamic properties of mixtures. In our current work, the SAFT-γ Mie equation of state is used to capture the underlying complexity of systems in which specific interactions (e.g., hydrogen bonding, dipolar interactions, chemical association) play an important role, by incorporating highly versatile association-site schemes to model mixtures in which unlike induced association interactions occur; this is done by assigning to the functional groups a number of association sites that are inactive in the pure fluid, but become active in certain mixtures. We refer to this type of association mechanism as "unlike induced" association and to the sites involved in this interaction as "unlike induced" association sites. The concept of unlike induced association sites is applied here to develop reliable SAFT-γ Mie group contribution models to describe the properties of acetone, alkyl carboxylic acids, and their mixtures with water and n-alkanes. The parameter table of available SAFT-γ Mie models is expanded to incorporate the corresponding group interaction parameters for acetone, which is treated as a molecular group, the carboxyl group COOH, and their unlike interaction group parameters with water, and the methyl CH 3 , methanediyl CH 2 , and methanetriyl CH alkyl groups. In particular, one unlike induced site is used with the acetone model to mediate hydrogen-bonding of the acetone oxygen in mixtures containing hydrogen-bond donors, and two pairs of unlike induced sites are included on the COOH group to mediate hydrogen-bond formation in mixtures of carboxylic acids and hydrogen-bond donors. The models developed allow for the successful description of the complex fluid-phase behaviour of the relevant binary and ternary mixtures, including accurate predictions of systems which have not been used to determine the model parameters.

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“…6. VLE of n-heptane/pentanoic acid at 348.15 K. Comparison of the experimental data[31] (symbols) and the PCP-SAFT modeling results for fitted parameters[1,20] (dashed black line; k ij = −0.003) and for correlated parameters ([5],Table 5) using a fitted dispersion-energy parameter (solid gray line; k ij = −0.005).Fig. 7.…”

mentioning

confidence: 99%

Reducing the amount of PCP–SAFT fitting parameters. 2. Associating components

Albers

Heilig

Sadowski

2012

Fluid Phase Equilibria

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Isothermal vapor-liquid equilibrium data for the system n-heptane-n-valeric acid at 50, 75, and 100.degree.

Abstract: Heats and Entropies of Vaporization. The heats and entropies of vaporization a t the normal boiling points (760 mm. of Hg) given in Table VI, were calculated from the three-constant vapor pressure equation by the thermodynamic relationship. AH'^^ = TAS = R T ' [ d h P / d T J [ l

Cited by 25 publications

References 4 publications

Density, Viscosity, and Thermal Conductivity of Eight Carboxylic Acids from (290.3 to 473.4) K

Density, Viscosity, and Thermal Conductivity of Eight Carboxylic Acids from (290.3 to 473.4) K

The development of unlike induced association-site models to study the phase behaviour of aqueous mixtures comprising acetone, alkanes and alkyl carboxylic acids with the SAFT-γ Mie group contribution methodology

Reducing the amount of PCP–SAFT fitting parameters. 2. Associating components

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