Statistical Physics: Cubic lattice of two molecules

AI Thread Summary
The discussion centers on a homework problem involving a cubic lattice occupied by two types of molecules, A and B. The order parameter \phi_A represents the fraction of A molecules in the lattice, with values ranging from 0 to 0.5, while \phi_B is defined as 1 - \phi_A. The total energy of the system can be expressed in relation to the number of nearest neighbor contacts among A and B molecules, leading to the equation E = E_0 + 3Nk_BT \chi \phi_A (1−\phi_A) when interaction energies are equal. The participant initially struggled with calculating the number of interactions but ultimately resolved the issue. The discussion highlights the relationship between molecular composition and energy in statistical physics.
Matt atkinson
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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?
 
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Figured out what i was doing wrong now! all is fine :D
 
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