Aggregation in Biocompatible Linear Block Copolymers: Computer Simulation Study
| Autor: | T. E. Grigor’ev, A. I. Kulebyakina, D. S. Dolgov, Ekaterina V. Razuvaeva, Rustam A. Gumerov, Sergey N. Chvalun, Igor I. Potemkin |
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| Rok vydání: | 2018 |
| Předmět: |
chemistry.chemical_classification
Materials science Aggregation number Aqueous solution Polymers and Plastics Ethylene oxide Dissipative particle dynamics Supramolecular chemistry 02 engineering and technology Polymer 010402 general chemistry 021001 nanoscience & nanotechnology 01 natural sciences Micelle 0104 chemical sciences chemistry.chemical_compound chemistry Chemical engineering Materials Chemistry Copolymer 0210 nano-technology |
| Zdroj: | Polymer Science, Series A. 60:902-910 |
| ISSN: | 1555-6107 0965-545X |
| DOI: | 10.1134/s0965545x19010036 |
| Popis: | The self-organization of molecules of linear diblock copolymer poly(ethylene oxide)–polylactide and triblock copolymer polylactide–poly(ethylene oxide)–polylactide in aqueous solution is studied by the dissipative particle dynamics method, and quantitative comparison with the experimental data is performed. It is shown that the diblock copolymers are aggregated to spherical micelles, their average aggregation number increases with increasing both polymer concentration and hydrophobic block length. For the given type of molecules, the simulation results agree well with the experiment. For the case of triblock copolymers it is predicted that stable supramolecular aggregates of various morphologies exist in solution even at low concentrations. |
| Databáze: | OpenAIRE |
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