Abstract
To further understanding hydrophillic interactions of complex biomolecules at the microscopic level, an idealized polyatomic model - a square polyatomic sheet - is devised, which consists of positive and negative charges on atoms. In the framework of the extended RISM integral equation theory, we calculate the solvent-induced interactions between pairs of the hydrophillic polyatomic sheets in water. We find the total hydrophillic interaction (mean force) between two sheets in water is directly against the intermolecular force between these two sheets in vacuum. A further analysis reveals that the solvent-induced interaction is mainly attributed to the sheets-solvent interaction energy.
| Original language | English |
|---|---|
| Pages (from-to) | 377-385 |
| Number of pages | 9 |
| Journal | Fluid Phase Equilibria |
| Volume | 144 |
| Issue number | 1-2 |
| Publication status | Published - Dec 1 1998 |
| Externally published | Yes |
Keywords
- Biomolecules
- Hydrophillic interaction
- Potential of mean force
- RISM integral equation
- Solvent-induced interaction
- Water
ASJC Scopus subject areas
- Chemical Engineering(all)
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry