## Abstract We simulate the phase behavior of amphiphilic molecules in the presence of one solvent by DPD. In general, DPD has successfully captured most of the effects of composition of amphiphilic molecules, solvent selectivity, and solvent amount, on the phase transition behavior obtained by bot
โฆ LIBER โฆ
Molecular dynamics study of polymer crystallization in the presence of a particle
โ Scribed by Dongsheng Zhang; Hendrik Meyer
- Publisher
- John Wiley and Sons
- Year
- 2007
- Tongue
- English
- Weight
- 406 KB
- Volume
- 45
- Category
- Article
- ISSN
- 0887-6266
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Molecular dynamics simulations for nanometer scale polyethylene (PE) particles generated with up to 12000 atoms are presented to gain insight into some thermodynamic properties of ultra fine polymer powders. By computing molecular volume and total energy as a function of temperature, we obtained mel