Paul Ruelle

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The thermodynamics of mobile order is applied to predict the aqueous solubility of liquid and solid aliphatic and polycyclic aromatic hydrocarbons. The solubility values are mainly determined by the magnitude of the hydrophobic effect. However, contrary to the solubilities of the alkanes, the solubilities of polycyclic aromatic hydrocarbons in water(More)
The hydrophobic effect has an entropic nature that cannot be explained by classical multicomponent treatments that do not explicitly take into account both the mobility and the nonergodicity of the H-bonds in amphiphilic liquids. The nonergodic thermodynamics of mobile order in H-bonded liquids based on time fractions rather than on concentrations provides(More)
The new solubility equation derived from the thermodynamics of mobile order in liquids is used to predict the solubility of four solid aliphatic and aromatic hydrocarbons, namely, tricosane, octacosane, biphenyl and pyrene, in nonassociated and hydrogen-bonded solvents. The analysis of the relative importance of the different terms contributing to the(More)
The quantitative development of the nonergodic mobile order thermodynamics involving the new interpretation of the hydrophobic effect leads to a general solubility equation. This equation is applied to predict the aqueous and alcohol solubility of chemicals ranging from nonpolar or slightly polar with no H-bonding capacity to polyfunctional polar compounds(More)
The quantitative thermodynamic development of the mobile order and disorder theory in H-bonded liquids is extended in order to predict the partition coefficient. With respect to the classical predictive methods, the great advantage of the present approach resides in the possibility of predicting partition coefficient not only in the reference(More)
Melting points and fusion enthalpies are predicted for a series of 81 compounds by combining experimental solubilities in a variety of solvents and analyzed according to the theory of mobile order and disorder (MOD) and using the total phase change entropy estimated by a group additivity method. The error associated in predicting melting points is dependent(More)
The quantitative development of the mobile order theory in H-bonded liquids is extended to predict the n-octanol/water partition coefficient (P). The log P predictive equation strictly issued from a thermodynamic treatment reduces to a simple linear volume-log P relationship whose intercept and slope encode, respectively, the solvation and entropy effects.(More)
A quantitative expression of the hydrophobic effect for amphiphilic solutes in water is developed in the frame of the nonergodic thermodynamics of mobile order in hydrogen-bonded liquids. In the case of aliphatic alcohols, the new expression leads to reduction of the hydrophobic propensity of water with respect to that exerted towards substances with no(More)