Data for Mechanism of Escape of a Single Chain from a Diblock Copolymer Micelle
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Data for Mechanism of Escape of a Single Chain from a Diblock Copolymer Micelle
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2022-12-19
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Simulation Data
Simulation Data
Abstract
Simulation input files and processed data appearing in the related manuscript.
Description
These files contain input files and processed data for dissipative particle dynamics on diblock polymer chains and the free energies of chain expulsion from umbrella sampling. Each of the core blocks of the chain are 4-12 beads, and the corona blocks are 8 beads long. The timestep used for the simulation is 0.04 in DPD simulation units. Each configuration is sampled every 1000 timesteps.
Referenced by
Seeger, S. C.; Dorfman, K. D.; Lodge, T. P. Mechanism of Escape of a Single Chain from a Diblock Copolymer Micelle. Macromolecules 2022, 55 (22), 10220–10228.
https://doi.org/10.1021/acs.macromol.2c01742
https://doi.org/10.1021/acs.macromol.2c01742
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This research was supported by the National Science Foundation Polymers Program (DMR-2103630) and by an NSF Graduate Research Fellowship (S.C.S.)
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Seeger, Sarah C; Lodge, Timothy P; Dorfman, Kevin D. (2022). Data for Mechanism of Escape of a Single Chain from a Diblock Copolymer Micelle. Retrieved from the Data Repository for the University of Minnesota (DRUM), https://doi.org/10.13020/7x2r-jk67.
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