Calculate the SLE behavior of the binary system CCl4 (A) – p-xylene (B) which forms an 1:1 adduct AB. Perform the calculation assuming ideal behavior using the following experimental melting temperatures and enthalpies of fusion:
Tm,A = 250.77 K Dhm,A = 2528.4 J/mol
Tm,B = 286.45 K Dhm,B = 16790 J/mol
Tm,AB = 269.15 K Dhm,AB = 27698 J/mol
The equilibrium calculation for this case is very similar to the general case of a eutectic mixture except that a further component (the adduct) has to be taken into account.
As the adduct consists of one molecule A and one molecule B, the respective activity aAB in the liquid phase is 4*aA*aB and thus equal to one at x1=0.5, where the liquid can be considered pure adduct..
The activity of the pure solid phases as function of temperature can again be calculated using the function:
The function for the SLE equilibrium temperature has been modified assuming that the last component is a 1:1 adduct. The activity coefficient function was kept in place to allow more simple later extension.
The starting value for the adduct crystallization temperature has been set to 4*x1*x2. At the optimal adduct composition of x1=0.5, the starting value is thus the melting temperature of the adduct. This factor is also required for the liquid activity calculation as discussed above.