Spreading dynamics of polymer nanodroplets.
The spreading of polymer droplets is studied using molecular dynamics simulations. To study the dynamics of both the precursor foot and the bulk droplet, large hemispherical drops of 200 000 monomers are simulated using a bead-spring model for polymers of chain length 10, 20, and 40 monomers per chain. We compare spreading on flat and atomistic surfaces, chain length effects, and different applications of the Langevin and dissipative particle dynamics thermostats. We find diffusive behavior for the precursor foot and good agreement with the molecular kinetic model of droplet spreading using both flat and atomistic surfaces. Despite the large system size and long simulation time relative to previous simulations, we find that even larger systems are required to observe hydrodynamic behavior in the hemispherical spreading droplet.
- Research Organization:
- Sandia National Laboratories
- Sponsoring Organization:
- USDOE
- DOE Contract Number:
- AC04-94AL85000
- OSTI ID:
- 1004340
- Report Number(s):
- SAND2003-3054J
- Journal Information:
- Proposed for publication in Physical Review E., Journal Name: Proposed for publication in Physical Review E. Journal Issue: 6 Vol. 68; ISSN 1539-3755; ISSN 1550-2376
- Country of Publication:
- United States
- Language:
- English
Similar Records
How to remove the spurious resonances from ring polymer molecular dynamics
Multiscale modeling of polyisoprene on graphite