Model Amphiphilic Polymer Conetworks in Water: Prediction of Their Ability for Oil Solubilization.

ABSTRACT: In this work, we computationally explored the ability of water-swollen, model ionizable ABA triblock copolymer-based amphiphilic polymer conetworks (APCNs) to solubilize a water-immiscible organic solvent (oil), via Gibbs free energy minimization. This was done as a function of the conetwork hydrophobe (A-blocks) mol fraction and the degree of ionization of the hydrophilic B-blocks. Expectedly, highest oil solubilization capacities were calculated for the most hydrophobic and least ionized APCNs, which could absorb up to 6.4 times more oil than water and exhibited a lamellar morphology. Our results also included a phase diagram, which indicated transitions from spheres to cylinders, lamellae, and unimers in oil, as the hydrophobe content increased and the degree of ionization decreased. Al

SUBMITTER: Varnava CK 

PROVIDER: S-EPMC6648537 | biostudies-literature | 2019 Mar

REPOSITORIES: biostudies-literature