| | |
| | |
Stat |
Members: 3643 Articles: 2'488'730 Articles rated: 2609
29 March 2024 |
|
| | | |
|
Article overview
| |
|
The Structure and Freezing of fluids interacting via the Gay-Berne (n-6) potentials | Ram C. Singh
; Jokhan Ram
; Yashwant Singh
; | Date: |
28 Aug 2001 | Subject: | Soft Condensed Matter | cond-mat.soft | Abstract: | We have calculated the pair correlation functions of a fluid interacting via the Gay-Berne(n-6) pair potentials using the PY integral equation theory and have shown how these correlations depend on the value of n which measures the sharpness of the repulsive core of the pair potential. These results have been used in the density-functional theory to locate the freezing transitions of these fluids. We have used two different versions of the theory known as the second-order and the modified weighted density-functional theory and examined the freezing of these fluids for $8 leq n leq 30$ and in the reduced temperature range lying between 0.65 and 1.25 into the nematic and the smectic A phases. For none of these cases smectic A phase was found to be stabilized though in some range of temperature for a given $n$ it appeared as a metastable state. We have examined the variation of freezing parameters for the isotropic-nematic transition with temperature and $n$. We have also compared our results with simulation results wherever they are available. While we find that the density-functional theory is good to study the freezing transitions in such fluids the structural parameters found from the PY theory need to be improved particularly at high temperatures and lower values of $n$. | Source: | arXiv, cond-mat/0108459 | Services: | Forum | Review | PDF | Favorites |
|
|
No review found.
Did you like this article?
Note: answers to reviews or questions about the article must be posted in the forum section.
Authors are not allowed to review their own article. They can use the forum section.
browser claudebot
|
| |
|
|
|
| News, job offers and information for researchers and scientists:
| |