title: Tuning the critical solution temperature of polymers by copolymerization.
abstract: We study statistical copolymerization effects on the upper critical solution temperature (CST) of generic homopolymers by means of coarse-grained Langevin dynamics computer simulations and mean-field theory. Our systematic investigation reveals that the CST can change monotonically or non-monotonically with copolymerization, as observed in experimental studies, depending on the degree of non-additivity of the monomer (A-B) cross-interactions. The simulation findings are confirmed and qualitatively explained by a combination of a two-component Flory-de Gennes model for polymer collapse and a simple thermodynamic expansion approach. Our findings provide some rationale behind the effects of copolymerization and may be helpful for tuning CST behavior of polymers in soft material design.
authors.affiliation: Institut für Weiche Materie und Funktionale Materialien, Helmholtz-Zentrum Berlin, 14109 Berlin, Germany.
authors.forename: Bernhard
authors.initials: B
authors.lastname: Schulz
authors.affiliation: Institut für Weiche Materie und Funktionale Materialien, Helmholtz-Zentrum Berlin, 14109 Berlin, Germany.
authors.forename: Richard
authors.initials: R
authors.lastname: Chudoba
authors.affiliation: Department of Physical Chemistry, University of Chemistry and Technology, Prague, 166 28 Praha 6, Czech Republic.
authors.forename: Jan
authors.initials: J
authors.lastname: Heyda
authors.affiliation: Institut für Weiche Materie und Funktionale Materialien, Helmholtz-Zentrum Berlin, 14109 Berlin, Germany.
authors.forename: Joachim
authors.initials: J
authors.lastname: Dzubiella