Three-Dimensional Case in Solvation Thermodynamics: Variation of Temperature, Transfer Route, and Thermodynamic...

Area of Science:

• Physical Chemistry
• Thermodynamics
• Chemical Physics

Background:

• Solvation thermodynamics involves solute transfer between phases (gas, liquid, water) across various temperatures.
• Understanding these processes requires analyzing multiple thermodynamic functions (ΔG, ΔH, ΔS, ΔCp).

Purpose of the Study:

• To analyze complex 'three-dimensional solvation' scenarios.
• To apply the Correlated States Theory to quantify gas-to-water (g → w) hydration thermodynamics.
• To investigate interrelations between thermodynamic functions and transfer routes.

Main Methods:

• Utilized the Correlated States Theory of hydrophobic effect.
• Introduced the concept of correlated/uncorrelated solute-water pair states.
• Extended the correlated pair concept to gas-to-liquid (g → l) transfer routes.

Main Results:

• Fully quantified g → w hydration thermodynamics.
• Demonstrated the solvability of 'three-dimensional' solvation by applying correlated pair concepts to the g → l route.
• Derived general interrelations between heat capacity changes and enthalpy/entropy convergence temperatures.

Conclusions:

• The Correlated States Theory provides a comprehensive framework for understanding complex solvation.
• The concept of correlated solute-water pairs is key to solving multi-dimensional solvation problems.
• Theoretical derivations confirm empirical observations on thermodynamic function interrelations.