The DOI matches its Crossref record; 1 of the 1 references it cites were found in a registry or an index.
Molecular dynamics calculation of the equation of state of alkanes
Abstract
Molecular dynamics calculations of the pressure in fluids of propane, pentane, and decane show that the pressure in the traditional united-atom model which treats a methylene group as one isotropical interaction unit, scales incorrectly with respect to temperature and density. The shortcoming can, however, easily be overcome by introducing realistic anisotropic intermolecular potential functions. The anisotropy is achieved by taking the geometrical mean position of the valence electrons as the origin for intermolecular interactions of the methylene subunits.
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Cites
Computer Simulation of Liquids
Allen, M. P., & Tildesley, D. J. (2017) · doi:10.1093/oso/9780198803195.001.0001 · Cited by 20,945
Cited by
Hierarchical simulation approach to structure and dynamics of polymers
Uhlherr, A., & Theodorou, D. N. (1998) · Current Opinion in Solid State and Materials Science · doi:10.1016/s1359-0286(98)80023-5 · Cited by 43
Metadata
- Authors
- Toxvaerd, S.
- Venue
- The Journal of Chemical Physics
- Publisher
- AIP Publishing
- Published
- 1990-09-15
- Volume
- 93
- Issue
- 6
- Pages
- 4290-4295
- ISSN
- 0021-9606 (ISSN-L)
- 1089-7690
- OpenAlex
- W1979239187
- Cited by
- 276
- References
- 1
- FWCI
- 12.53
- Type
- journal article
- Language
- en
- Open access
- closed
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- Toxvaerd, S. (1990). Molecular dynamics calculation of the equation of state of alkanes. The Journal of Chemical Physics. https://doi.org/10.1063/1.458709
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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.
