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4215949 
Journal Article 
Study of the soret effect in hydrocarbon chain/aromatic compound mixtures 
Polyakov, P; Rossinsky, E; Wiegand, S 
2009 
Yes 
Journal of Physical Chemistry B
ISSN: 1520-6106
EISSN: 1520-5207 
113 
40 
13308-13312 
English 
19791822 
WOS:000270363500024 
We studied the thermal diffusion behavior of equimolar mixtures of hydrocarbon chains in cyclohexane, p-xylene, and o-xylene experimentally and by reverse nonequilibrium molecular dynamics. The hydrocarbon chains heptane, 2,3-dimethylpentane, 2,4-dimethylpentane, 2-ethyl-3-methyl butadiene, and 2,4-dimethylpentadiene-1,3 with the same number of carbon atoms were considered in order to conserve the mass contribution and to investigate the shape influence on the Soret coefficient. Compared to the experimental data, the simulation results show the same trend. With increasing degree of branching, the Soret coefficient becomes larger. The negative Soret coefficient of the hydrocarbon chains indicates the enrichment in the warm side. We were able to find an empirical correlation between the properties of the pure components and the Soret coeffcients of the considered mixtures.