| Author(s): |
Raymond D. Mountain; Yedhud A. Ben-Naim; |
| Title: |
Pair Correlation Functions in Mixtures of Lennard-Jones Particles |
| Published: |
June 03, 2008 |
| Abstract: |
The pair correlation functions for a mixture of two Lennard-Jones (LJ) particles were computed by both the Percus-Yevick equations and by molecular dynamics. The changes in the pair correlation function resulting from changes in the composition of the mixtures are quite unexpected. The molecular reason for the unexpected behavior is discussed. |
| Citation: |
Chemical Physics |
| Volume: |
128 |
| Pages: |
pp. 214504 - 214506 |
| Keywords: |
Lennard-Jones; mixture; molecular dynamics; NPT ensemble; Percus-Yevick equation; pair correlation |
| Research Areas: |
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| PDF version: |
 Click here to retrieve PDF version of paper (4MB) |
