Data for Mechanism of Escape of a Single Chain from a Diblock Copolymer Micelle

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Persistent link to this item

https://doi.org/10.13020/7x2r-jk67
https://hdl.handle.net/11299/250200

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Keywords

Chain exchange

umbrella sampling

block copolymer micelle

transition state

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Journal Title

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Title

Data for Mechanism of Escape of a Single Chain from a Diblock Copolymer Micelle

Published Date

2022-12-19

Authors

Seeger, Sarah C

Lodge, Timothy P

Dorfman, Kevin D

Group

Dorfman Research Group

Author Contact

Dorfman, Kevin D
dorfman@umn.edu

Type

Dataset
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

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License

CC0 1.0 Universal
http://creativecommons.org/publicdomain/zero/1.0/

Publisher

Collections

Data Repository for U of M (DRUM)
Dorfman Group Research Data

Funding information

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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Previously Published Citation

Suggested citation

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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