CBE 710
Fall 2011
Computer Assignment Part A
Computational Exercise
The code related to this assignment performs a molecular dynamics simulation in the microcanonical ensemble (constant V, E and N). This program is not documented, but it contains all of
t

CBE 710
Fall 2011
Computer Assignment Part C
Computational Exercise
In assignments A and B you developed a molecular dynamics code that enables you to calculate
the thermodynamic properties, including pressure and chemical potential, of pure Lennard-Jones

CBE 710
Fall 2011
Computer Assignment Part B
Computational Exercise
Calculation of Chemical Potential (Widom Test-Particle Method)
The chemical potential is defined as,
In the microcanonical ensemble, the entropy S is related to (N,V,E), the total number

Homework Assignment # 2
Problems A: Please complete the following exercises from the text draft:
3.1 B
3.1 C
3.6 C
3.7 D
Problem B:
A device operates as follows: an evacuated tank of 1 m 3 is attached to the exhaust of an
air-turbine-driven grinding wheel

Homework Assignement # 3
Please complete the following exercises from the text:
3.1 E
3.1 H
4.1 C
4.1 D
4.2 B
4.2 C (just for nitrogen and methanol)
4.2 D
In addition, please complete the following problems:
Problem A:
a) show that uvv
usv 2 2 u 2 f
= =