Application des méthodes chromatographiques pour caractériser les propriétés physico-chimiques de composés peu volatiles

Abstract : In this work, we propose new predictive methods to represent physico-chemical properties of nonvolatile organic compounds. The experimental studies of these compounds are difficult because their normal boiling point is high and it is situated beyond the limits of their thermal stability. Consequently, their properties are generally badly known and estimated from various predictive methods. We used for the prediction purpose the method ?Linear Solvation Energy Relationship? (LSER). This method widely used in organic chemistry and pharmacology was applied for the first time to the predictive calculations in the field of the chemical engineering. The application of the LSER approach involves two aspects : the first one is the modeling of the physico-chemical properties in terms of LSER descriptors and the second is the experimental determination of descriptors. It is necessary to underline that in the case of nonvolatile compounds the determination of descriptors required the implementation of new experimental methods. In the second part of this report, we present results of applications of the LSER model to the thermodynamics of fluids. The estimation of physico-chemical properties of organic compounds such as the normal boiling point and the critical properties is concerned. Correlation of cubic equation of state parameters is also dealt with. It was demonstrated that LSER model is a useful tool for implementation of predictive methods in the field of physical-chemistry and chemical engineering
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Fabrice Mutelet. Application des méthodes chromatographiques pour caractériser les propriétés physico-chimiques de composés peu volatiles. Génie des procédés. Université Paul Verlaine - Metz, 2001. Français. ⟨NNT : 2001METZ015S⟩. ⟨tel-01775483⟩

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