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|All Authors / Contributors:||
Pierre-Arnaud Artola; Bernard Rousseau; Université de Paris-Sud. Faculté des Sciences d'Orsay (Essonne).
|Description:||1 vol. (141 p.) : ill. en noir et en coul. ; 30 cm.|
|Responsibility:||Pierre-Arnaud Artola ; [sous la direction du] Dr. B. Rousseau.|
The Soret effect occurs when a dense fluid mixture is subjected to a thermal gradient. The response of the system lies in molar fraction gradients, and the overall effect is quantified by the so called Soret coefficient. As was already shown it depends on several physical parameters such as the mass difference between the two species nontheless we showed that chemical specific interactions between them also strongly affect the value and the sign of this coefficient. We generelized this observation, using both equilibrium and nonequilibrium molecular dynamics, with a thermodynamic function that is proportional to the Soret coefficient, and that links strongly excess properties with this nonequilibrium behaviour. Using a thyeretical approach from Prigogine we derived a new model in order to predict the Soret coefficient that gives quantitative agreement for simple fluids and even on associated mixtures such as water ethanol we predicted the molar fraction at which the Soret coefficient changes its sign with a precision of 1%.