THERMODYNAMICS OF LIQUID-OXYGEN FROM MOLECULAR-DYNAMICS SIMULATIONS

Authors
LUSTIG R
Citation
R. Lustig, THERMODYNAMICS OF LIQUID-OXYGEN FROM MOLECULAR-DYNAMICS SIMULATIONS, Berichte der Bunsengesellschaft fur Physikalische Chemie, 98(5), 1994, pp. 706-711
Citations number
21
Categorie Soggetti
Chemistry Physical
Journal title
Berichte der Bunsengesellschaft fur Physikalische Chemie
ISSN journal
00059021 → ACNP
Volume
98
Issue
5
Year of publication
1994
Pages
706 - 711
Database
ISI
SICI code
0005-9021(1994)98:5<706:TOLFMS>2.0.ZU;2-B
Abstract
Oxygen, modelled as a 2-center Lennard-Jones fluid, is studied along t hree isochores spanning the liquid region. Eleven different thermodyna mic properties are obtained from simulations in the classical molecula r dynamics ensemble. It is shown that most of them agree with experime ntal data within the combined uncertainty of experiment and simulation .