Viscosity Measurements on Gaseous Propane: Re-evaluation

Wilhelm, J. O.; Vogel, E.

doi:10.1021/je200046m

Cited by 12 publications

(22 citation statements)

References 8 publications

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“…byWilhelm and Vogel, 61 and byVogel and Herrmann,62 as well as with the zero-density part of the correlation of Vogel and Herrmann 62. According to the assessment of Vogel and Herrmann, 62 the three selected data FIG.…”

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confidence: 99%

Intermolecular potential energy surface and thermophysical properties of propane

Hellmann

2017

The Journal of Chemical Physics

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A six-dimensional potential energy surface (PES) for the interaction of two rigid propane molecules was determined from supermolecular ab initio calculations up to the coupled cluster with single, double, and perturbative triple excitations level of theory for 9452 configurations. An analytical site-site potential function with 14 sites per molecule was fitted to the calculated interaction energies. To validate the analytical PES, the second virial coefficient and the dilute gas shear viscosity and thermal conductivity of propane were computed. The dispersion part of the potential function was slightly adjusted such that quantitative agreement with the most accurate experimental data for the second virial coefficient at room temperature was achieved. The adjusted PES yields values for the three properties that are in very good agreement with the best experimental data at all temperatures.

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confidence: 99%

Intermolecular potential energy surface and thermophysical properties of propane

Hellmann

2017

The Journal of Chemical Physics

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“…First viscosity virial coefficient (upper) and the equivalent term for the residual entropy formulation of the virial expansion (lower) for propane. The solid curve is obtained from the Rainwater-Friend theory with the Lennard-Jones coefficients from ref and the values of ε/ k B = 260 K and σ = 0.49154 × 10 –9 m. The markers correspond to the considered data sets from Wilhelm, Seibt, and the re-evaluated data from Vogel in ref .…”

Section: Initial Densitymentioning

confidence: 99%

“…In the case of Vogel, 58 the data were taken from the re-evaluated data, 43 and then mapped back onto the nominal isotherms identified in Vogel and Herrmann 43 following the same approach in Vogel and Herrmann; 43 the data mapped onto isotherms are in the SI, section 3.1. The data for Wilhelm and Vogel 80 and Seibt et al 54 were processed in a simple fashion: eq 16 was fit to the data for s + < 0.1 along nominal isotherms in order to extract B η1 .…”

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Entropy Scaling of Viscosity—I: A Case Study of Propane

Bell

2020

J. Chem. Eng. Data

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In this work, a broadly applicable and simple approach for building high accuracy viscosity correlations is demonstrated for propane. The approach is based on the combination of a number of recent insights related to the use of residual entropy scaling, especially a new way of scaling the viscosity for consistency with the dilute-gas limit. With three adjustable parameters in the dense phase, the primary viscosity data for propane are predicted with a mean absolute relative deviation of 1.38%, and 95% of the primary data are predicted within a relative error band of less than 5%. The dimensionality of the dense-phase contribution is reduced from the conventional two-dimensional approach (temperature and density) to a one-dimensional correlation with residual entropy as the independent variable. The simplicity of the model formulation ensures smooth extrapolation behavior (barring errors in the equation of state itself). The approach proposed here should be applicable to a wide range of chemical species. The Supporting Information includes the relevant data in tabular form and a Python implementation of the model.

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“…In some cases, the choice of density model necessitated the exclusion of viscosity data at pressures beyond the specified limits for that model, although extrapolation by up to 5% of the maximum pressure was allowed to prevent exclusion of points only just above the nominal maximum pressure for the selected density model. For the light alkanes up to nbutane [76][77][78][79], densities were calculated from reference-quality equations of state (EoS) available in the REFPROP database [75]; exceptionally, the isochoric data of Wilhelm et al [46,47] for propane were analysed with the densities reported by the authors. For n-pentane to n-dodecane one of three methods was selected for each dataset as follows: (i) densities specified by the authors; (ii) the EoS of Span and Wagner [80]; (iii) the correlations of Caudwell et al [62,70].…”

Section: The New Reference Function For Reduced Excess Viscositymentioning

confidence: 99%