Published February 1, 1984 | Version v1
Journal article

Thermodynamics of dense fluid nitrogen by molecular dynamics

  • 1. Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545

Description

We present an extensive set of molecular dynamics results for the thermodynamics of dense fluid N2. The density and temperature regime is 1.3 g/cm3< or approx. =rho< or approx. =2.3 g/cm3 and 500 K< or approx. =T< or approx. =12 000 K. These data are then analyzed to study the effects of internal degrees of freedom on the N2 equation of state. Most importantly, we demonstrate the existence of an effective spherical potential that models very accurately (to 1.5% or better in pressure and energy) the true equation of state for the anisotropic N2 potential. We discuss the relation of this effective potential to the median average over angles and other averaging methods, including the arithmetic mean

Additional details

Publishing Information

Journal Title
J. Chem. Phys.
Journal Volume
80
Journal Issue
3
Series
J. Chem. Phys.
Journal Page Range
1279-1294
ISSN
0021-9606

INIS

Country of Publication
United States
Country of Input or Organization
United States
INIS RN
15046174
Subject category
S36: MATERIALS SCIENCE;
Descriptors DEI
ANISOTROPY; EQUATIONS OF STATE; FLUIDS; HIGH TEMPERATURE; LIQUIDS; NITROGEN; POTENTIALS; THERMODYNAMIC PROPERTIES; VERY HIGH TEMPERATURE
Descriptors DEC
ELEMENTS; EQUATIONS; NONMETALS; PHYSICAL PROPERTIES