The viscosity and diffusion coefficients of eighteen binary gaseous systems

Kestin, J.; Khalifa, H. Ezzat; Ro, Sung Tack; Wakeham, W. A.

doi:10.1016/0378-4371(77)90003-6

Cited by 135 publications

(79 citation statements)

References 22 publications

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“…Kestin et al [34], measured viscosity of eighteen binary mixtures with an error less than 0.2% using a viscometer where the important elements were machined entirely from quartz. As a …”

Section: A Oscillating-body Viscometersmentioning

confidence: 99%

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Transport properties for combustion modeling

Brown

Bastien

Price

2011

Progress in Energy and Combustion Science

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This review examines current approximations and approaches that underlie the evaluation of transport properties for combustion modeling applications. Discussed in the review are: the intermolecular potential and its descriptive molecular parameters; various approaches to evaluating collision integrals; supporting data required for the evaluation of transport properties; commonly used computer programs for predicting transport properties; the quality of experimental measurements and their importance for validating or rejecting approximations to property estimation; the interpretation of corresponding states; combination rules that yield pair molecular potential parameters for unlike species from like species parameters; and mixture approximations. The insensitivity of transport properties to intermolecular forces is noted, especially the non-uniqueness of the supporting potential parameters. Viscosity experiments of pure substances and binary mixtures measured post 1970 are used to evaluate a number of approximations; the intermediate temperature range 1 < T* < 10, where T* is kT/ε, is emphasized since this is where rich data sets are available. When suitable potential parameters are used, errors in transport property predictions for pure substances and binary mixtures are less than 5 %, when they are calculated using the approaches of Kee et al.; Mason, Kestin, and Uribe; Paul and Warnatz; or Ern and Giovangigli. Recommendations stemming from the review include (1) revisiting the supporting data required by the various computational approaches, and updating the data sets with accurate potential parameters, dipole moments, and polarizabilities; (2) characterizing the range of parameter space over which the fit to experimental data is good, rather than the current practice of reporting only the parameter set that best fits the data; (3) looking for improved combining rules, since existing rules were found to under-predict the viscosity in most cases; (4) performing more transport property measurements for mixtures that include radical species, an important but neglected area; (5) using the TRANLIB approach for treating polar molecules and (6) performing more accurate measurements of the molecular parameters used to evaluate the molecular heat capacity, since it affects thermal conductivity, which is important in predicting flame development. (1) revisiting the supporting data required by the various computational approaches, and updating the data sets with accurate potential parameters, dipole moments, and polarizabilities; (2) characterizing the range of parameter space over which the fit to experimental data is good, rather than the current practice of reporting only the parameter set that best fits the data; (3) looking for improved combining rules, since existing rules were found to under-predict the viscosity in most cases; (4) performing more transport property measurements for mixtures that include radical species, an important but neglected area; (5) using the TRANLIB approach for treating polar...

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“…Kestin et al [34], measured viscosity of eighteen binary mixtures with an error less than 0.2% using a viscometer where the important elements were machined entirely from quartz. As a …”

Section: A Oscillating-body Viscometersmentioning

confidence: 99%

“…Experiments are from: /: [34], /: [85], / : [86], and /: [87]. Experiments are from: /: [36], /: [34], /: [85], and /: [81]. …”

Section: Tablesmentioning

confidence: 99%

Transport properties for combustion modeling

Brown

Bastien

Price

2011

Progress in Energy and Combustion Science

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“…The same basic approach that was used for pure species is used to fit σ ij and ε ij using experimental data reported in Kestin et al [3] The parameters (ε ii , σ ii ) and (ε jj , σ jj ) were determined from the best fit to pure species viscosities, and the combined parameters σ ij and ε ij are obtained by finding the values that, when used in Equation (12), yield the best fit to experimental data associated with the binary mixture. As with the pure species, a trough, approximated by a straight line determined by linear regression, was found for each mixture.…”

Section: -Combining Rulesmentioning

confidence: 99%

“…Fitted potential parameters, potential parameters obtained from different combining rules, and the slope of the line representing the trough for twelve different binary mixture systems. [37] CF 4 [3] SF 6 [3] Binary Mixtures [3] Table IV and experimental values. …”

Section: -Conclusionmentioning

confidence: 99%

“…Frequently the parameters are obtained by finding the values such that predictions of bulk properties (second virial coefficient and transport properties) provide the best possible fit to experiment. We focus on viscosity data because, according to the excellent review by Wakeham et al (2007) [2], the errors associated with viscosity measurements post 1972 are less than 0.5%, and Kestin et al (1977) [3], measured the viscosity of eighteen binary mixtures with a claimed uncertainty of only 0.2%.…”

Section: -Introductionmentioning

confidence: 99%

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Intermolecular potential parameters and combining rules determined from viscosity data

Bastien

Price

Brown

2010

Int J of Chemical Kinetics

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The Law of Corresponding States has been demonstrated for a number of pure substances and binary mixtures, and provides evidence that the transport properties viscosity and diffusion can be determined from a molecular shape function, often taken to be a Lennard-Jones 12-6 potential, that requires two scaling parameters: a well depth ε ij and a collision diameter σ ij , both of which depend on the interacting species i and j. We obtain estimates for ε ij and σ ij of interacting species by finding the values that provide the best fit to viscosity data for binary mixtures, and compare these to calculated parameters using several "combining rules" that have been suggested for determining parameter values for binary collisions from parameter values that describe collisions of like molecules. Different combining rules give different values for σ ij and ε ij and for some mixtures the differences between these values and the best-fit parameter values are rather large.There is a curve in (ε ij, σ ij ) space such that parameter values on the curve generate a calculated viscosity in good agreement with measurements for a pure gas or a binary mixture. The various combining rules produce couples of parameters ε ij , σ ij that lie close to the curve and therefore generate predicted mixture viscosities in satisfactory agreement with experiment. Although the combining rules were found to underpredict the viscosity in most of the cases, Kong's rule was found to work better than the others, but none of the combining rules consistently yields parameter values near the best-fit values, suggesting that improved rules could be developed.Keywords: viscosity, transport properties, combining rules, intermolecular potential parameters 3 I -IntroductionMany important phenomena that occur in gas mixtures depend on molecular transport processes including viscosity, diffusion, and thermal conductivity. Transport properties are often critically important in engineering applications and for understanding phenomena like combustion processes, hypersonic flows, and chemical vapor deposition. A recent trend in engineering design is to use modeling to reduce design times, and combustion is an area benefitting from this approach. Modeling combustion processes requires accurate values of transport properties over a wide range of temperatures and pressures. It is not possible to measure all the requisite transport properties, so we must have models to calculate them. This requires adequate information about the intermolecular potential and the underlying dynamics. The shape function, φ, is frequently taken to be a Lennard-Jones 12-6 potential, where the energy scaling parameter ε ij is the well depth, and σ ij is the length scaling parameter that defines the intermolecular separation at which the potential is zero. Viscosity measurements of a single chemical species allow direct estimation of the parameters that describe the interaction between two molecules of the same species, ε ii and σ ii . The situation is more complicated for even the si...

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The Viscosity and Diffusion Coefficients of the Mixtures of Light Hydrocarbons with Other Polyatomic Gases

Abe

Kestin

Khalifa

et al. 1979

Ber Bunsenges Phys Chem

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The paper presents new measurements of the viscosity of binary, gaseous mixtures of the three saturated hydrocarbons ethane, propane, and normal-butane with other polyatomic gases. Specifically, the systems studied are: C2H6 -?-I2, and n-C4H,,-C02. 'The measurements have been carried out near atmospheric pressure in the temperature range 25 -195°C in a high precision oscillating-disk viscometer. The accuracy of the reported values of viscosity is estimated as one of &0.3%. -Our previous work has proved that each of the pure components conforms to the extended law of corresponding states formulated by Kestin, Ro, and Wakeham. The present measurements demonstrate that the same is true for the interactions among unlike pairs of molecules of the pure components. The experimental viscosities are employed to determine the scaling factors uI2 and E ,~ which secure the optimum representation of the data with the aid of the universal functional of the law of corresponding states. -The measurements also provide values of the binary diffusion coefficients for the eight mixtures studied. For those systems for which direct measurements of the diffusivity are available, the agreement between the two sets of data is within the mutual uncertainty. For the mixtures CLHh -CF4, C2H6 -SF6, and n-C4HIo -CO2 the present measurements represent the first determination of the binary diffusion coefficients.In der Arbeit werden neue Viskositatsmessungen in binaren Gasgemischen der drei gesattigten ISphlenwasserstoffe Athan, Propan und n-Butan mit anderen polyatomaren Gasen vorgestellt. Die untersuchten Systeme sindC2H6 -N2, C2H6 -c02,

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The viscosity and diffusion coefficients of eighteen binary gaseous systems

Cited by 135 publications

References 22 publications

Transport properties for combustion modeling

Transport properties for combustion modeling

Intermolecular potential parameters and combining rules determined from viscosity data

The Viscosity and Diffusion Coefficients of the Mixtures of Light Hydrocarbons with Other Polyatomic Gases

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