Published May 15, 1992
| Version v1
Journal article
Monte Carlo calculation of chemical potential for the Stockmayer fluid
Creators
- 1. Richard B. Wetherhill Laboratory of Chemistry, Purdue University, West Lafayette, Indiana 47907 (United States)
- 2. Lilly Hall of Life Sciences, Purdue University, West Lafayette, Indiana, 47907 (United States)
Description
The chemical potential of the Stockmayer fluid is computed by the canonical ensemble Monte Carlo methods of Widom, Bennett, and Han. Both spherical cutoff and metallic Ewald sum techniques are employed. For the states studied it is found that the Ewald sum provides little improvement over the simpler spherical cutoff, that Bennett's and Han's methods produce essentially the same results, and that for certain states Widom's method is less accurate than Bennett's or Han's. The accuracy of the chemical potential calculated via the three methods was verified with Adams' version of the grand canonical ensemble Monte Carlo method
Additional details
Publishing Information
- Journal Title
- Journal of Chemical Physics
- Journal Volume
- 96
- Journal Issue
- 10
- Journal Page Range
- p. 7867-7868.
- ISSN
- 0021-9606
- CODEN
- JCPSA6
INIS
- Country of Publication
- United States
- Country of Input or Organization
- United States
- INIS RN
- 24003262
- Subject category
- S71: CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS;
- Descriptors DEI
- ACCURACY; CANONICAL DIMENSION; DIPOLES; FLUIDS; MONTE CARLO METHOD; THERMODYNAMIC PROPERTIES
- Descriptors DEC
- CALCULATION METHODS; MULTIPOLES; PHYSICAL PROPERTIES; SCALE DIMENSION