Citation
Aa. Chialvo et al., On the determination of orientational configurational temperature from computer simulation, J CHEM PHYS, 114(15), 2001, pp. 6514-6517
Citations number
19
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF CHEMICAL PHYSICS
ISSN journal
00219606
→ ACNP
Volume
114
Issue
15
Year of publication
2001
Pages
6514 - 6517
Database
ISI
SICI code
0021-9606(20010415)114:15<6514:OTDOOC>2.0.ZU;2-H
Abstract
A straightforward derivation for the configurational temperature associated
with the orientational Omega (N) portion of the configurational phase spac
e of the molecules in an open system is presented. Explicit relationships a
re given for determining the configurational temperatures in classical simu
lations of molecular liquids, such as water, and their forms and their eval
uation discussed. (C) 2001 American Institute of Physics.