Isothermal compressibility of SPC/E water
Abstract
Molecular dynamics computer simulations on rigid SPC/E water molecules were performed. The goal of the simulations is to study the behavior of isothermal compressibility, which was calculated in the simulations at T=298, 273 and 248 K. The calculated isothermal compressibilities at these temperatures display a trend contrary to the experimental observations. The hydrogen bonded network in water was also investigated. No correlation between the temperature dependence of isothermal compressibility and the number of hydrogen bonded pentagons was observed.
- Publication:
-
Interim Report North Carolina Univ
- Pub Date:
- April 1990
- Bibcode:
- 1990unc..rept.....M
- Keywords:
-
- Compressibility;
- Computerized Simulation;
- Fluid Mechanics;
- Hydrogen;
- Molecular Structure;
- Molecules;
- Thermodynamic Properties;
- Thermodynamics;
- Water;
- Display Devices;
- Dynamic Characteristics;
- Isotherms;
- Water Temperature;
- Atomic and Molecular Physics