The DOI matches its Crossref record; 1 of the 1 references it cites were found in a registry or an index.
The Lennard-Jones equation of state revisited
Abstract
We review the existing simulation data and equations of state for the Lennard-Jones (LJ) fluid, and present new simulation results for both the cut and shifted and the full LJ potential. New parameters for the modified Benedict-Webb-Rubin (MBWR) equation of state used by Nicolas, Gubbins, Streett and Tildesley are presented. In contrast to previous equations, the new equation is accurate for calculations of vapour-liquid equilibria. The equation also accurately correlates pressures and internal energies from the triple point to about 4·5 times the critical temperature over the entire fluid range. An equation of state for the cut and shifted LJ fluid is presented and compared with the simulation data of this work, and previously published Gibbs ensemble data. The MBWR equation of state can be extended to mixtures via the van der Waals one-fluid theory mixing rules. Calculations for binary fluid mixtures are found to be accurate when compared with Gibbs ensemble simulations.
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Citations
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
Computer Simulation of Liquids
Allen, M. P., & Tildesley, D. J. (2017) · doi:10.1093/oso/9780198803195.001.0001 · Cited by 20,945
Gil-Villegas, A., Galindo, A., Whitehead, P. J., Mills, S. J., Jackson, G., & Burgess, A. N. (1997) · The Journal of Chemical Physics · doi:10.1063/1.473101 · Cited by 1,047
Accurate statistical associating fluid theory for chain molecules formed from Mie segments
Lafitte, T., Apostolakou, A., Avendaño, C., Galindo, A., Adjiman, C. S., Müller, E. A., & Jackson, G. (2013) · The Journal of Chemical Physics · doi:10.1063/1.4819786 · Cited by 543
Economou, I. G. (2002) · Industrial & Engineering Chemistry Research · doi:10.1021/ie0102201 · Cited by 405
The Eukaryotic CO2-Concentrating Organelle Is Liquid-like and Exhibits Dynamic Reorganization
Freeman Rosenzweig, E. S., Xu, B., Kuhn Cuellar, L., Martinez-Sanchez, A., Schaffer, M., Strauss, M., Cartwright, H. N., Ronceray, P., Plitzko, J. M., Förster, F., et al. (2017) · Cell · doi:10.1016/j.cell.2017.08.008 · Cited by 398
Metadata
- Authors
- Johnson, J. K., Zollweg, J. A., & Gubbins, K. E.
- Venue
- Molecular Physics
- Publisher
- Informa UK Limited
- Published
- 1993-02-20
- Volume
- 78
- Issue
- 3
- Pages
- 591-618
- ISSN
- 0026-8976 (ISSN-L)
- 1362-3028
- OpenAlex
- W2168725496
- Cited by
- 1,435
- References
- 1
- FWCI
- 31.97
- Type
- journal article
- Language
- en
- Open access
- closed
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- Johnson, J. K., Zollweg, J. A., & Gubbins, K. E. (1993). The Lennard-Jones equation of state revisited. Molecular Physics. https://doi.org/10.1080/00268979300100411
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Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
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