Molecular Modeling Task Force
Problems
[ Introduction | Background | Simulation | Problems | Credits | Other Modules ]


Questions

These questions arise in the Background and Tutorial sections.
  • Question 1: (Advanced) How large is the force due to gravity acting on an argon atom compared to the attraction from a second argon atom at a distance of, say, 5 Angstroms? (From Molecular Simulation section)
  • Question 2: How large is the kinetic energy of a hard disk compared with the potential energy of a hard disk at room temperature? (there is no intermolecular interaction in a hard disk system so the only potential energy is gravitational potential energy). (From Molecular Simulation section)
  • Question 4: In the simulation applet, follow a fast, red molecule. What happens if it collides with a slower, blue molecule? Does this seem realistic? (From Tutorial section)
  • Question 5: From your physical chemistry or other courses, what is the exact relation between the average velocity of molecules in a gas and the temperature? How would this relation change for a two-dimensional system such as the one in this module? (From Tutorial section)

 

Problems

The following symbols are used in the problem sets.

R: Radius of the hard disk
D: Diameter of the hard disk
S: Number of simulation steps
M: Mass of the hard disk
W: Time steps between swaps
N: Number of hard disks in the simulation box.
T: Temperature
P: Pressure
k: Thermal conductivity of the molecules described by hard disks.
A: Total area of the simulation box

ρ: Fraction of the area of the simulation box that is occupied by the hard disks

 
 


[ Introduction | Background | Simulation | Problems | Credits | Other Modules ]