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Title: Thermodynamics of anisotropic fluids using isotropic potentials

Abstract

We study the effectiveness and limitations of the median potential recipe for mixtures such as N{sub 2} + O{sub 2} and N{sub 2} + CO{sub 2}, that are important in detonation applications. Conversely, we treat effective spherical potentials extracted from Hugoniot experiments (e.g., N{sub 2} and O{sub 2}) as median potentials and invert them to extract atom-atom potentials. The resulting non-spherical potentials compare remarkably well with the atom - atom potentials used in studies of solid state properties. Finally, we propose a method to improve the median potential for stronger anisotropic fluids such as CO{sub 2} and its mixtures.

Authors:
;
Publication Date:
Research Org.:
Lawrence Livermore National Lab., CA (US)
Sponsoring Org.:
USDOE Office of Energy Research (ER) (US)
OSTI Identifier:
13790
Report Number(s):
UCRL-JC-135455; DP0101031
DP0101031; TRN: AH200135%%425
DOE Contract Number:  
W-7405-ENG-48
Resource Type:
Conference
Resource Relation:
Conference: International Conference on High Pressure Science and Technology, Honolulu, HI (US), 07/25/1999--07/30/1999; Other Information: PBD: 16 Aug 1999
Country of Publication:
United States
Language:
English
Subject:
45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEFENSE; NITROGEN; OXYGEN; CARBON DIOXIDE; CHEMICAL EXPLOSIONS; MIXTURES; THERMODYNAMICS; POTENTIALS

Citation Formats

Bastea, S, and Ree, F H. Thermodynamics of anisotropic fluids using isotropic potentials. United States: N. p., 1999. Web.
Bastea, S, & Ree, F H. Thermodynamics of anisotropic fluids using isotropic potentials. United States.
Bastea, S, and Ree, F H. Mon . "Thermodynamics of anisotropic fluids using isotropic potentials". United States. https://www.osti.gov/servlets/purl/13790.
@article{osti_13790,
title = {Thermodynamics of anisotropic fluids using isotropic potentials},
author = {Bastea, S and Ree, F H},
abstractNote = {We study the effectiveness and limitations of the median potential recipe for mixtures such as N{sub 2} + O{sub 2} and N{sub 2} + CO{sub 2}, that are important in detonation applications. Conversely, we treat effective spherical potentials extracted from Hugoniot experiments (e.g., N{sub 2} and O{sub 2}) as median potentials and invert them to extract atom-atom potentials. The resulting non-spherical potentials compare remarkably well with the atom - atom potentials used in studies of solid state properties. Finally, we propose a method to improve the median potential for stronger anisotropic fluids such as CO{sub 2} and its mixtures.},
doi = {},
journal = {},
number = ,
volume = ,
place = {United States},
year = {1999},
month = {8}
}

Conference:
Other availability
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