R. Horst

"Calculation of phase diagrams not requiring the derivatives of the Gibbs
energy demonstrated for a mixture of two homopolymers with the corresponding
copolymer"

*Macromolecular Theory and Simulations* **1995**, *4*, 449-458.

**Abstract:** A method is presented which allows the calculation of phase
diagrams (spinodal, binodal and tie lines) on the basis of the Gibbs energy
of mixing Delta G. No derivatives of Delta G with respect to the composition
variables are required. This method is particularly useful in cases where the
composition dependence of Delta G is very complex and no analytical representation
of the derivatives can be given. The method is applied to a ternary mixture
of two homopolymers with a copolymer consisting of the same monomers. The sequence
distribution of the copolymer is kept constant between random and purely alternating,
and phase diagrams are calculated for different chemical compositions of the
copolymer. The complex phase separation behavior resulting for a 1:1 copolymer
becomes much simpler as one monomeric unit starts to predominate in the copolymer.

preprint number: 159a