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Viscosity, relaxation time, and dynamics within a model asphalt of larger molecules
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10.1063/1.4848736
/content/aip/journal/jcp/140/3/10.1063/1.4848736
http://aip.metastore.ingenta.com/content/aip/journal/jcp/140/3/10.1063/1.4848736

Figures

Image of FIG. 1.
FIG. 1.

Atoms used for unit vectors in (a) asphaltene-phenol and (b) asphaltene-pyrrole.

Image of FIG. 2.
FIG. 2.

Atoms used for unit vectors in (a) squalane and (b) dioctylcyclohexane-naphthalene.

Image of FIG. 3.
FIG. 3.

The correlation function for asphaltene-phenol, trimethylbenzene-oxane, and benzobisbenzothiophene at 400.15 K. Lines indicate mKWW fits.

Image of FIG. 4.
FIG. 4.

The correlation function for benzobisbenzothiophene at 298.15, 333.15, 358.15, 400.15, 443.15, 533.15 K. Lines indicate mKWW fits.

Image of FIG. 5.
FIG. 5.

Rotational relaxation times for different molecules.

Image of FIG. 6.
FIG. 6.

Diffusion coefficients vs. temperature. Lines indicate Arrhenius fits.

Image of FIG. 7.
FIG. 7.

Diffusion coefficient prefactor as a function of molecular weight.

Image of FIG. 8.
FIG. 8.

Activation energy as a function of molecular weight.

Image of FIG. 9.
FIG. 9.

Product of relaxation time and diffusion for various molecules.

Image of FIG. 10.
FIG. 10.

The β parameter from the mKWW function for various molecules.

Image of FIG. 11.
FIG. 11.

Viscosity comparison between the Green-Kubo and the Einstein methods for revised model AAA-1 at 533.15 K. The horizontal dashed line is the viscosity estimate.

Image of FIG. 12.
FIG. 12.

Viscosity comparison of new model AAA-1 asphalt, old model AAA-1 asphalt, 3 ternary model systems, 2 experimental results for SHRP AAA-1 asphalt, 48,71 experimental results for a range of penetration-graded asphalts (curves B and C), 72 a performance-graded 64–22 asphalt, 73 and experimental (70/100) and high-pressure model results from Hansen 16

Tables

Generic image for table
Table I.

Molecules in model asphalt AAA-1.

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/content/aip/journal/jcp/140/3/10.1063/1.4848736
2014-01-21
2014-04-18
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Viscosity, relaxation time, and dynamics within a model asphalt of larger molecules
http://aip.metastore.ingenta.com/content/aip/journal/jcp/140/3/10.1063/1.4848736
10.1063/1.4848736
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