Statistical Physics: Cubic lattice of two molecules

Click For Summary
SUMMARY

The discussion focuses on a statistical physics problem involving a cubic lattice occupied by two types of molecules, A and B. The order parameter, defined as \(\phi_A = \frac{N_A}{N}\), represents the fraction of A molecules in the lattice. The values of \(\phi_A\) range from 0 to 0.5, with \(\phi_B\) defined as \(\phi_B = 1 - \phi_A\). The total energy of the system can be expressed as \(E = E_0 + 3Nk_BT \chi \phi_A (1−\phi_A)\) when the interaction energies \(\chi_{AA}\) and \(\chi_{BB}\) are equal.

PREREQUISITES
  • Understanding of statistical physics concepts, particularly lattice models.
  • Familiarity with order parameters in phase transitions.
  • Knowledge of energy interactions in molecular systems.
  • Basic proficiency in mathematical manipulation of equations.
NEXT STEPS
  • Study the implications of order parameters in phase transitions.
  • Learn about the implications of interaction energies in lattice models.
  • Explore the derivation of energy expressions in statistical mechanics.
  • Investigate the role of entropy in molecular distributions on lattices.
USEFUL FOR

Students and researchers in statistical physics, particularly those studying phase transitions and molecular interactions in lattice systems.

Matt atkinson
Messages
114
Reaction score
1

Homework Statement


A mixture of two substances exists on a cubic lattice of N sites, each of which is occupied by either an A molecule or a B molecule. The number of A molecules is NA and the number of B molecules is NB, such that NA + NB = N. The energy of interaction is k_BT\chi_{AA} between two nearest neighbour A molecules, k_BT\chi_{BB} between two nearest neighbour B molecules and k_BT\chi_{AB} between a neighbouring pair of an A and a B molecule. When the interaction energies are written in this form, \chi_{ij} is dimensionless.

1) State,
a. what the order parameter defined as \phi_A = NA/N physically represents.
b. the range of values that \phi_A can take.
c. the relation between \phi_A and \phi_B (\phi_B = NB/N).

2) By determining the number of A-A, A-B and B-B nearest neighbour contacts in terms of \phi_A, show that, if \chi_{AA} = \chi_{BB}, the total energy can be written as;

$$ E = E_0 + 3Nk_BT \chi \phi_A (1−\phi_A )$$
Where E_o and \chi are constants.

Homework Equations

The Attempt at a Solution


1a) The percentage of molecule A in lattice sites N.
1b) \phi_A=0...1/2 (due to max entropy being when there is 50% of molecule A and 50% of molecule B)
1c) \phi_B=1-\phi_A

2) so this is where I am stuck, i found;
N_{AA}=6N\phi_A^2 (each site has 6 nearest neighbours, so number of A molecules x no of NN x P(NN being a A molecule)
N_{BB}=6N(1-\phi_A)^2
N_{AB}=12N\phi_A(1-\phi_A)

and then using;
$$E=N_{AA}V_{AA}+N_{BB}V_{BB}+N_{AB}V_{AB}$$
I get that
$$E=6VN+6VN\phi_A(\phi_A-1)$$
Where V=V_{AA}=V_{BB}=V_{AB} as \chi_{AA} = \chi_{BB}.

I'm thinking i might've worked out the number of A-A, B-B and A-B interactions wrong. could someone give me a nudge in the right direction?
 
Last edited:
Physics news on Phys.org
Figured out what i was doing wrong now! all is fine :D
 

Similar threads

  • · Replies 2 ·
Replies
2
Views
1K
Replies
2
Views
2K
  • · Replies 1 ·
Replies
1
Views
2K
Replies
1
Views
5K
  • · Replies 0 ·
Replies
0
Views
1K
  • · Replies 2 ·
Replies
2
Views
2K
  • · Replies 1 ·
Replies
1
Views
2K
  • · Replies 7 ·
Replies
7
Views
2K
  • · Replies 1 ·
Replies
1
Views
3K
  • · Replies 19 ·
Replies
19
Views
3K