2009
DOI: 10.1134/s2070205109030058
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Determination of the Flory-Huggins parameter for a pair of polymer units from AFM data for thin films of block copolymers

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Cited by 11 publications
(12 citation statements)
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“…For simulation of PS- b -PB with different molecular weights, the total number of PS and PB beads ( N ) was varied. For example, to model PS 34k - b -PB 25k , N was set to 8 and the relative interaction parameters, A PS–PS = A PB–PB and A PS–PB to 25.0 and 40.0, respectively, to match the expected χ N value of 36.7 for PS 34k - b -PB 25k . The number of PS and PB beads was then increased to N = 12 and to N = 16 to model PS- b -PB BCPs with higher molecular weights (PS 67k - b -PB 75k , PS 112k - b -PB 104k ).…”
Section: Results and Discussionmentioning
confidence: 99%
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“…For simulation of PS- b -PB with different molecular weights, the total number of PS and PB beads ( N ) was varied. For example, to model PS 34k - b -PB 25k , N was set to 8 and the relative interaction parameters, A PS–PS = A PB–PB and A PS–PB to 25.0 and 40.0, respectively, to match the expected χ N value of 36.7 for PS 34k - b -PB 25k . The number of PS and PB beads was then increased to N = 12 and to N = 16 to model PS- b -PB BCPs with higher molecular weights (PS 67k - b -PB 75k , PS 112k - b -PB 104k ).…”
Section: Results and Discussionmentioning
confidence: 99%
“…The former model of a two-component BCP system was expanded into a four-component system including PS, PB, toluene, and the surrounding aqueous solution (water + SDS). A coarse-grained model of a single chain of PS- b -PB BCP with N = 8 (the number of beads in a single chain) contained 4 PS beads and 4 PB beads linearly connected by soft springs with a spring constant of 4. The relative interaction parameters between the polymers were set to A PS–PS = A PB–PB = 25.0 and A PS–PB = 40.0 for χ N = 36.7 to match the χ N value of PS 34k - b -PB 25k . Additionally, longer chains with N = 12 (6 PS beads and 6 PB beads) and N = 16 (8 PS beads and 8 PB beads) were simulated to investigate the effect of BCP chain length on particle morphology.…”
Section: Methodsmentioning
confidence: 99%
“…1c). PS and PMA were selected because they are strongly immiscible (χ PS/PMA = 0.03•N = 169•χ PS/PMMA ) 35,36 as observed experimentally with binary mixtures of PS and PMA and PS/PMA block copolymers readily phase segregating. 35,37 Thus, the choice of PS and PMA prevented any specific interaction between the PS core and the PMA canopy potentially influencing the behaviour of the resulting NPs suspensions.…”
Section: Resultsmentioning
confidence: 99%
“…The microphase separation of block copolymers into ordered nanoscopic polymer domains in bulk material is exclusively determined by the mixing energy F mix of the polymer species A and B in the block copolymer. This internal nanoscale energy minimization in block copolymers can be described by a minimization of the Gibbs free mixing energy ∆G mix , which is mainly dependent on the Flory–Huggins parameter χ AB of the BCP species and their polymerization degrees…”
Section: Energy Minimization During Bcp Microphase Separation At the mentioning
confidence: 99%