Solutions – fundamentals - Binary mixing with interactions

10 important questions on Solutions – fundamentals - Binary mixing with interactions

What is the difference between ideal mixing and the regular-solution model?

The regular solution model includes the interacting forces between AA, BB and AB for a binary system.

What is the mean-field approximation and how is it used to take the interactions into account?

The mean-field approximation is the average energy of the randomly mixed state, which is used to estimate the interaction energy of the system since it is not known exactly which interactions there are.

How is the total energy due to A-A interactions calculated?

One lattice site has on average neighbors that are A, which makes the total energy due to A-A interactions . The half accounts for the shared interaction between two A particles.
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How is the total energy due to the A-B cross interactions calculated?


First an A particle with B neighbors is considered, second a B particle with A neighbors is considered.

What is the expression for the total mixed energy of the randomly mixed state?

is substituted and is substituted.
The total mixed energy of the randomly mixed state is:

How is the difference in energy between the unmixed and the mixed state calculated?

By subtracting the average energy of the unmixed state from the average energy of the mixed state.

Chi is called the exchange parameter.

How is the exchange parameter defined?


It is a dimensionless parameter that summarizes the effect of the three distinct pair interactions.

In which ways is it possible for a solution to lack mixing energy?

When =0. Which is the case when and when .

How can the solution free energy for a binary mixture be calculated?


Where GA and GB give the pure-component free energies.

What different behaviors can occur depending on the exchange parameter?

If then the system acts as an ideal solution.
Ifthen the mixing energy is negative and lowers the free energy. This means the interactions between A-B are stronger than the self interactions.
Ifthen the interactions between A-A and between B-B are more favorable than A-B interactions.

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