The DOI matches its Crossref record; 4 of the 4 references it cites were found in a registry or an index.
Simulation of polyethylene above and below the melting point
Abstract
Polyethylene at equilibrium is studied by computer simulation. Configuration space is sampled efficiently by a novel Monte Carlo simulation scheme developed for the study of long molecules at high densities. Simulations are carried out in an isobaric-isothermal statistical-mechanical ensemble which permits calculation of the density of the polymer matrix at specified conditions of pressure and temperature. A systematic study of the polymer at different temperatures indicates a phase transition; in agreement with experiment, at low temperatures, the polyethylene model studied here crystallizes spontaneously. At temperatures above the melting point, the simulated melt is described accurately by the model.
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Citations
Cites
Equation of State Calculations by Fast Computing Machines
Metropolis, N., Rosenbluth, A. W., Rosenbluth, M. N., Teller, A. H., & Teller, E. (1953) · The Journal of Chemical Physics · doi:10.1063/1.1699114 · Cited by 37,192
Computer Simulation of Liquids
Allen, M. P., & Tildesley, D. J. (2017) · doi:10.1093/oso/9780198803195.001.0001 · Cited by 20,945
Dynamics of entangled linear polymer melts: A molecular-dynamics simulation
Kremer, K., & Grest, G. S. (1990) · The Journal of Chemical Physics · doi:10.1063/1.458541 · Cited by 4,023
Molecular dynamics simulation of an amorphous polymer under tension. 1. Phenomenology
Brown, D., & Clarke, J. H. R. (1991) · Macromolecules · doi:10.1021/ma00008a056 · Cited by 213
Cited by
Chen, B., Potoff, J. J., & Siepmann, J. I. (2001) · The Journal of Physical Chemistry B · doi:10.1021/jp003882x · Cited by 835
Zhang, T., Wu, X., & Luo, T. (2014) · The Journal of Physical Chemistry C · doi:10.1021/jp5051639 · Cited by 213
‘Entropy-Based mechanism of ribosome-nucleoid segregation in E. coli cells’
Mondal, J., Bratton, B. P., Li, Y., Yethiraj, A., & Weisshaar, J. C. (2011) · Biophysical Journal · doi:10.1016/j.bpj.2011.04.030 · Cited by 110
Metadata
- Authors
- de Pablo, J. J., Laso, M., & Suter, U. W.
- Venue
- The Journal of Chemical Physics
- Publisher
- AIP Publishing
- Published
- 1992-02-01
- Volume
- 96
- Issue
- 3
- Pages
- 2395-2403
- ISSN
- 0021-9606 (ISSN-L)
- 1089-7690
- OpenAlex
- W2048501207
- Cited by
- 370
- References
- 4
- FWCI
- 13.89
- Type
- journal article
- Language
- en
- Open access
- closed
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- de Pablo, J. J., Laso, M., & Suter, U. W. (1992). Simulation of polyethylene above and below the melting point. The Journal of Chemical Physics. https://doi.org/10.1063/1.462037
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Bibliographic data: Semantic Scholar, OpenAlex, Crossref.
Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.
