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| Titel: |
The correlations in a star molecule fluid. Integral equation theory and Monte Carlo study |
| Auteur: |
Duda, Yurko Garcia, Ian Trokhymchuk, Andrij Henderson, Douglas |
| Verschenen in: |
Molecular physics |
| Paginering: | Jaargang 98 (2000) nr. 17 pagina's 1287-1293 |
| Jaar: |
2000-09-20 |
| Inhoud: |
The structure of a starlike molecule (SLM) fluid with four arms of different length is studied by applying the associative Percus-Yevick integral equation (IE) theory and canonical Monte Carlo (MC) simulations. In the IE study the SLM fluid is modelled by a fluid of hard spheres with four associative sites on each sphere while the MC has been performed for a freely-joined tangent hard sphere fluid. The total radial distribution functions have been calculated in both approaches for different volume fraction regimes and different arm lengths. It is shown that the associative IE theory predicts the structure of SLM fluid best for relatively long arms and at high densities. Additionally, the dependence of the SLM centre-centre correlations on the functionality and fluid particle density has been analysed using the MC results. |
| Uitgever: |
Taylor & Francis |
| Bronbestand: |
Elektronische Wetenschappelijke Tijdschriften |
Details van artikel 52 van 64 gevonden artikelen
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