TY - JOUR
T1 - Calculation of the (liquid + liquid) equilibrium of solutions of hyperbranched polymers with the lattice-cluster theory combined with an association model
AU - Zeiner, T.
AU - Browarzik, C.
AU - Browarzik, D.
AU - Enders, S.
PY - 2011/12
Y1 - 2011/12
N2 - The (liquid + liquid) equilibrium of solutions of hyperbranched polyesters is calculated with the latticecluster theory (LCT) combined with a chemical association model. The considered solvents are n-alkanes as well as propan-1-ol and butan-1-ol. The structure of the solvents is also considered in the framework of the LCT, assuming the solvent molecules as linear chains of several segments. For polymer solutions with the non-associating n-alkanes only the self association of the hyperbranched polymer molecules has to be considered by the chemical association lattice model (CALM). For the solutions of the type alcohol + hyperbranched polymer additionally the cross association is taken into account by a modified version of the extended chemical association lattice model (ECALM). The association effects are proved to influence strongly the phase equilibrium. Calculating the cloud-point curve and the critical point the polydispersity of the polymer samples is neglected. There is a reasonable agreement of the calculated curves with the experimental data taken from the literature.
AB - The (liquid + liquid) equilibrium of solutions of hyperbranched polyesters is calculated with the latticecluster theory (LCT) combined with a chemical association model. The considered solvents are n-alkanes as well as propan-1-ol and butan-1-ol. The structure of the solvents is also considered in the framework of the LCT, assuming the solvent molecules as linear chains of several segments. For polymer solutions with the non-associating n-alkanes only the self association of the hyperbranched polymer molecules has to be considered by the chemical association lattice model (CALM). For the solutions of the type alcohol + hyperbranched polymer additionally the cross association is taken into account by a modified version of the extended chemical association lattice model (ECALM). The association effects are proved to influence strongly the phase equilibrium. Calculating the cloud-point curve and the critical point the polydispersity of the polymer samples is neglected. There is a reasonable agreement of the calculated curves with the experimental data taken from the literature.
KW - (Liquid + liquid) equilibrium
KW - Chemical association model
KW - Hyperbranched polymer solutions
KW - Lattice-cluster theory
KW - Method of calculation
UR - http://www.scopus.com/inward/record.url?scp=84861807952&partnerID=8YFLogxK
U2 - 10.1016/j.jct.2011.07.010
DO - 10.1016/j.jct.2011.07.010
M3 - Article
AN - SCOPUS:84861807952
SN - 0021-9614
VL - 43
SP - 1969
EP - 1976
JO - The Journal of Chemical Thermodynamics
JF - The Journal of Chemical Thermodynamics
IS - 12
ER -