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Variations of the Depletion Zones around Inclusions Explain the Complexity of Brush-Induced Depletion Interactions

Daeseong Yong, Ji Woong Yu, Bae-Yeun Ha*, Changbong Hyeon*

Journal of Chemical Theory and ComputationVol. 21, No. 12, pp. 6161-6173202510.1021/acs.jctc.5c00334

[Polymer Brush]

Abstract

Calculations that describe a polymer brush as a smooth concentration field, paired with molecular simulations, show that competing polymer-depleted regions at cylinder sides and tops determine whether the inclusions attract or repel.