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The physical origin of the low solubility of nonpolar solutes in water

โœ Scribed by B. Lee


Publisher
Wiley (John Wiley & Sons)
Year
1985
Tongue
English
Weight
544 KB
Volume
24
Category
Article
ISSN
0006-3525

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โœฆ Synopsis


Synopsis

Elementary but general statistical-mechanical relations are derived that relate the thermodynamic properties of the dissolution process to those of the pure solvent. A number of conclusions are drawn from qualitative arguments that these relations suggest. These include the following: (1) The low solubility of nonpolar solutes in water arises not from the fact that water molecules can form hydrogen bonds, but rather from the fact that they are small in size. (2) The large entropy decrease attending the transfer of an inert solute from a nonaqueous solvent to water is largely due to the decrease in entropy of the nonaqueous solvent as the solvent-solvent interaction is restored on removal of the solute from it. (3) It is improper to use values of thermodynamic quantities obtained from small-molecule transfer studies for those that involve macromolecular folding and interaction.


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Molecular Dynamics Simulation of the Ass
โœ E. Spohr; D. Henderson ๐Ÿ“‚ Article ๐Ÿ“… 2002 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 120 KB

We apply molecular dynamics (MD) simulations to the study of the association of nonpolar spheres of effective radii between 1.6 and 6.1 A dissolved in water. The constrained MD method is used to calculate the potential of mean force (PMF) of the interaction between spheres. The depth of the potentia