Non-equilibrium dynamics of vesicles and micelles by self-assembly of thermoresponsive block copolymers

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Title
Non-equilibrium dynamics of vesicles and micelles by self-assembly of thermoresponsive block copolymers
Contributors
Tang, Yu-Hang (author)
Doi
10.7301/Z09P2ZKQ
Date Created
2016-02
Abstract
We hereby present an energy-conserving Dissipative Particle Dynamics (DPD) simulation study on the self assembly behavior of thermo-responsive polymers (TRPs). By treating the internal energy of solvent and polymers as a degree of freedom of the coarse-grained particles, we were able to model the assembly process of TRPs in systems with non-trivial time-evolution of the temperature distribution. First, we found that both external and intrinsic factors can affect the final assembly morphology via altering the assembly pathway of thermoresponsive micelles. Second, a frequency regime was identified, where thermoresponsive unilamellar vesicles can sustain repeated heating-cooling cycles, while the collapse probability and half-life of the vesicles under frequencies that cause vesicle destruction were also quantified. Third, we found that two molecular movement modes dominate in thermoresponsive bilayer membranes during the inversion of composition. Last, we demonstrated that doubly thermoresponsive micelles and vesicles present unique hydrodynamic behavior when flowing through capillaries with non-uniform temperature distribution.
Keywords
Dissipation (Physics)
Dynamics of a particle
Smart materials
Micelles
Drug carriers
Vesicles
Dissipative particle dynamics
Bilayer
Notes
Funding: This work was supported by the Department of Energy Collaboratory on Mathematics for Mesoscopic Modeling of Materials (CM4). Simulations were carried out at the Oak Ridge Leadership Computing Facility through the INCITE program at Oak Ridge National Laboratory under project BIP102 and BIP118. YHT thanks Changho Kim for discussions on polymer diffusivity. YHT acknowledges partial financial support from an IBM Ph.D. Scholarship Award.
Presented at: Gordon Research Conference on Colloidal, Macromolecular & Polyelectrolyte Solutions, Ventura, CA, USA, 2016 Feb. 7-12
Extent
1 poster
Access Conditions
This work is licensed under a Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International License

Citation

Tang, Yu-Hang, "Non-equilibrium dynamics of vesicles and micelles by self-assembly of thermoresponsive block copolymers" (2016). Research at Brown. Brown Digital Repository. Brown University Library. https://doi.org/10.7301/Z09P2ZKQ

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