Matt atkinson
- 114
- 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: