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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 56, 1985 - Issue 2
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Original Articles

Molecular dynamics simulations of thermodynamic and structural properties of liquid SO2

F. Sokolić Laboratoire de Physique Théorique des Liquides, Université Pierre et Maire Curie, 4, Place Jussieu, Paris Ve, FranceEquipe associée au CNRS.; ‘Rudjer Bošković’ Institute, Zagreb, Yugoslavia
,
Y. Guissani Laboratoire de Physique Théorique des Liquides, Université Pierre et Maire Curie, 4, Place Jussieu, Paris Ve, FranceEquipe associée au CNRS.
&
B. Guillot Laboratoire de Physique Théorique des Liquides, Université Pierre et Maire Curie, 4, Place Jussieu, Paris Ve, FranceEquipe associée au CNRS.
Pages 239-253 | Received 15 Feb 1985, Accepted 18 Mar 1985, Published online: 23 Aug 2006
 
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Abstract

Results of molecular dynamics simulations on liquid SO2 are reported. Four effective pair potentials of different level of sophistication have been tested in order to reproduce the thermodynamic data along the liquid-vapour coexistence curve. The structural properties are investigated and compared with recent experimental data. The self diffusion coefficient is also computed for each potential model.

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