Assignmen of a Report, Due 8/10 9:00
Updated: '00/8/9
Simulate a stable vapor and a stable liquid
conditions.
Describe followings.
- Image of pv
- Line graph of temperature, kinetic energy,
potential energy and total energy
- Line graph of pressure fluctuation
- Calculate average value of temperature, potential
energy and pressure
- and compare with Rhee and Nicolas correlations
TIPS: Use periodic2 to calculate. Then, pressure
for pressure.dat.
NOTE: Long-range correction in included for
potential energy but not included in pressure.
Hints: Try the following way.
- Determine temperaure and number density for
vapor or liquid system.
- Determine N and Box size from density and
Tini from temperaure.
- Do calculate periodic2.exe Try changing many
parameters.
- Do calculate mkmask.exe
- Use pvutility to make pv.
- Check and copy a bitmap file
- Draw T, Ek, Ep, and Ek+Ep (Long range correction
is already included by periodic2.exe)
- Get the average values
- Do calculate press.exe
- Draw pressure (You must add Long-range correction
by yourself)
- Get the average values
- Calculate the Rhee and Nicolas values by
ljphase.exe
Examples....
