Chitra, R. ; Yashonath, S. (1996) Monte Carlo simulation of an argon cluster confined in zeolite NaCaA Chemical Physics Letters, 252 (5-6). pp. 384-388. ISSN 0009-2614
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Official URL: http://www.sciencedirect.com/science/article/pii/0...
Related URL: http://dx.doi.org/10.1016/0009-2614(96)00193-5
Abstract
A Monte Carlo simulation of a thirteen-atom argon cluster in supercages of zeolite NaCaA is reported. The confined cluster undergoes distortion giving a peak in the angle distribution function at around 90° . The structure, energetics and other properties are dictated by a competition between guest-guest and guest-zeolite interactions. It is found that the cluster melts in the region from 25 to 40 K. The change in δ during melting is smaller than that observed for bulk matter or that for the free cluster, which we attribute to confinement.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to Elsevier Science. |
| ID Code: | 55826 |
| Deposited On: | 19 Aug 2011 05:44 |
| Last Modified: | 19 Aug 2011 05:44 |
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