Phase behavior of ionic clusters down to nanoscale. A review of recent work
As finding an exact and manageable partition function for nanoclusters is a desirable but, so far, unattainable task, approximated treatments are proposed to explain and predict phase changes and phase coexistence at these size scales. In this article, a review of those approaches is presented, main...
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| Published in | International journal of quantum chemistry Vol. 110; no. 2; pp. 284 - 292 |
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| Main Authors | , |
| Format | Journal Article |
| Language | English |
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01.02.2010
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| ISSN | 0020-7608 1097-461X |
| DOI | 10.1002/qua.22263 |
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| Abstract | As finding an exact and manageable partition function for nanoclusters is a desirable but, so far, unattainable task, approximated treatments are proposed to explain and predict phase changes and phase coexistence at these size scales. In this article, a review of those approaches is presented, mainly focusing the authors work on the subject. The foundations and limitations of the proposed models are discussed and perspectives for extended treatments are given. The discussions are illustrated with new molecular dynamics simulations of unconstrained NaI and NaCl clusters. © 2009 Wiley Periodicals, Inc. Int J Quantum Chem, 2010 |
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| AbstractList | As finding an exact and manageable partition function for nanoclusters is a desirable but, so far, unattainable task, approximated treatments are proposed to explain and predict phase changes and phase coexistence at these size scales. In this article, a review of those approaches is presented, mainly focusing the authors work on the subject. The foundations and limitations of the proposed models are discussed and perspectives for extended treatments are given. The discussions are illustrated with new molecular dynamics simulations of unconstrained NaI and NaCl clusters. © 2009 Wiley Periodicals, Inc. Int J Quantum Chem, 2010 |
| Author | Silva Fernandes, Fernando M. S. Rodrigues, Pedro C. R. |
| Author_xml | – sequence: 1 givenname: Pedro C. R. surname: Rodrigues fullname: Rodrigues, Pedro C. R. email: reis@fc.ul.pt organization: Molecular Simulation Group, CCMM, Department of Chemistry and Biochemistry, Faculty of Sciences, University of Lisboa Campo Grande, Bloco C8, 1749-016 Lisboa, Portugal – sequence: 2 givenname: Fernando M. S. surname: Silva Fernandes fullname: Silva Fernandes, Fernando M. S. organization: Molecular Simulation Group, CCMM, Department of Chemistry and Biochemistry, Faculty of Sciences, University of Lisboa Campo Grande, Bloco C8, 1749-016 Lisboa, Portugal |
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| CitedBy_id | crossref_primary_10_1016_j_chemphys_2011_11_025 crossref_primary_10_1016_j_clay_2012_04_031 crossref_primary_10_1103_PhysRevB_85_195425 |
| Cites_doi | 10.1016/0009-2614(71)80281-6 10.1063/1.1354185 10.1063/1.459145 10.1063/1.447358 10.1039/tf9716700012 10.1002/qua.1319 10.1039/b107984k 10.1021/jp0109426 10.1140/epjd/e2006-00128-9 10.1021/jp055808q 10.1140/epjd/e2007-00150-5 10.1143/JPSJ.59.3925 10.1080/00018737600101392 10.1209/0295-5075/26/7/014 10.1063/1.1691735 10.1063/1.464097 10.1021/jp036234x 10.1063/1.462489 10.1063/1.2423030 10.1140/epjd/e2006-00178-y 10.1039/f29757101730 10.1016/0009-2614(84)80147-5 10.1021/jp054304p 10.1103/PhysRev.65.117 10.1103/PhysRev.185.832 10.1063/1.434298 10.1063/1.464098 10.1006/jssc.2001.9115 10.1021/j100076a007 |
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| Snippet | As finding an exact and manageable partition function for nanoclusters is a desirable but, so far, unattainable task, approximated treatments are proposed to... |
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| SubjectTerms | nanoaggregates nonequilibrium phase change phase change phase equilibria |
| Title | Phase behavior of ionic clusters down to nanoscale. A review of recent work |
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