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Mesoscopic Simulation of Polystyrene-b-Poly(acrylic acid) Using Dissipative Particle Dynamics Method

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Self-assembly morphologies of polystyrene-b-poly(acrylic acid) (PS-b-PAA) in aqueous solution were studied at various polymer concentrations and hydrophilic/hydrophobic chain length ratios using dissipative particle dynamics (DPD) computer simulation technique. It has been found that spherical and cylindrical structures could be obtained at various concentrations. Seen from the internal distribution, the micelle core was formed by aggregation of the hydrophobic PS blocks, while the hydrophilic PAA chains distributed on the outer surface of the micelle. With the growth of the hydrophilic PAA chains, more shell chains wrapped the core. This work provides deeper insight into the microstructure of polymeric micelles, which might guide the molecular design and experimental preparation of novel polymeric micelles with controlled structures.
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Keywords: DISSIPATIVE PARTICLE DYNAMICS; MESOSCOPIC SIMULATION; POLYSTYRENE-B-POLY(ACRYLIC ACID); SELF-ASSEMBLY

Document Type: Short Communication

Publication date: April 1, 2014

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  • Nanoscience and Nanotechnology Letters (NNL) is a multidisciplinary peer-reviewed journal consolidating nanoscale research activities in all disciplines of science, engineering and medicine into a single and unique reference source. NNL provides the means for scientists, engineers, medical experts and technocrats to publish original short research articles as communications/letters of important new scientific and technological findings, encompassing the fundamental and applied research in all disciplines of the physical sciences, engineering and medicine.
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