Hydrophobic Hydration of Nonpolar Solutes. I.Comparison of the Solvation Structure between Water and Hard-Sphere Solvents
スポンサーリンク
概要
- 論文の詳細を見る
Differences between water and nonpolar solvents in the solvation structure and thermodynamics for nonpolar soltttes have been examined by applying an integral equalion method to single-site, model solvents. The contact distribtttion function of waterfor a spherical solute with radius larger than 1.2 A is very well approximated by thatof nonpolar solvent particles with appropriately chosen radius. Significant differenceis found between the contact densities of water artd nonpolat' solvents for a solutewith radius smaller than 1.0 A, which is a manifestation of the structured nature ofwater. For the present model of water, however, contribution of this difference to thesolution thermodynamics is small for the solutes with a size of actual molecules. Theeffective radius of water molecules decreases linearly with irtcreasing temperaturefrom 25' to 100'C.
- 社団法人日本物理学会の論文
- 1989-12-15
著者
関連論文
- Dust-Effect Reduction Facility of a Digital Correlator for Dynamic Light Scattering
- Solvent Exclusion Effect Predicted by the Scaled Particle Theory as an Important Factor of the Hydrophobic Effect
- Transfer-Thermodynamic Quantities and the Hydrophobic Effect
- Hydration Thermodynamics of Biomolecules : I. Transfer Free Energy of Solutes with Variable Conformations
- Hydration Thermodynamics of Biomolecules. : IV. Hydration Free Energy of Amino Acid Related Molecules
- Dynamics of Stiff Chains. I. Equation of Motion
- Hydrophobic Hydration of Nonpolar Solutes. I.Comparison of the Solvation Structure between Water and Hard-Sphere Solvents
- Correlation Coefficients of the Fluctuations in Enthalpy or Intermolecular Potential Energy and Volume of Organic Liquids and Water
- Hydrophobic Hydration of Nonpolar Solutes.II.Analysis of the Role of Repulsive Interactions between Solute and Water in Determining Hydration Structure