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Molecular-dynamics simulations of polymers in a solvent
| Content Provider | Semantic Scholar |
|---|---|
| Author | Zukaitis, Anthony Jon |
| Copyright Year | 1998 |
| Abstract | M olecular-Dynamics Simulations of Polymers in a Solvent by Anthony J. Zuka itis Dr. Tao Pang. Exam ination Com m ittee C ha ir Professor o f Physics U n ivers ity o f Nevada. Las \ egas M olecuiar-dynam ics sim ulations were carried out for linear, flexible polymers in a solvent environm ent. Both s ta tic and dynam ic properties were calculated for po lym er chains o f 8. 16. 24. 32. and 40 monomers in length. The effects o f solvent density on the diffusion coefficient, the average radius o f gyra tion , and the average m agnitude o f the end-to-end distance vector o f the polym er are studied. The same properties o f loops or r in g ' polymers were studied by connecting the ends o f the polym ers together. We observed tha t the calculated properties scale w ith the num ber o f monomers in a power-law form . The exponents o f each q u a n tity are sampled in our sim ulations. For long polymers, the d iffusion coefficient for the open and ring polymers is found to be inversely p ropo rtiona l to the average radius o f g} ra tion . For shorter polymers, the ring structure plays a more prom inent role in the d iffus ion process. iii Reproduced with permission of the copyright owner. Further reproduction prohibited without permission. |
| File Format | PDF HTM / HTML |
| Alternate Webpage(s) | https://digitalscholarship.unlv.edu/cgi/viewcontent.cgi?article=1863&context=rtds |
| Language | English |
| Access Restriction | Open |
| Content Type | Text |
| Resource Type | Article |
