Abstract
Errors in intramolecular configuration induced by placing three types of hydrocarbon polymers on lattices of various discretizations were assessed. For one of these types [UA polyethylene] the errors were previously characterized in full simulation results, and it was found that a discretization of ζ=12 is sufficient to recover off-lattice results. The comparison between the two studies allowed to assign a maximum error in intramolecular configuration. The maximum tolerable error in intramolecular configuration was assigned as 9%.
| Original language | English (US) |
|---|---|
| Pages (from-to) | 9053-9057 |
| Number of pages | 5 |
| Journal | Journal of Chemical Physics |
| Volume | 118 |
| Issue number | 19 |
| DOIs | |
| State | Published - May 15 2003 |
All Science Journal Classification (ASJC) codes
- General Physics and Astronomy
- Physical and Theoretical Chemistry
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