Document Detail

Phase diagram of the modified Lennard-Jones system.
MedLine Citation:
PMID:  23145734     Owner:  NLM     Status:  In-Data-Review    
An investigation of the precise determination of melting temperature in the modified Lennard-Jones system under pressure-free conditions [Y. Asano and K. Fuchizaki, J. Phys. Soc. Jpn. 78, 055002 (2009)] was extended under finite-pressure conditions to obtain the phase diagram. The temperature and pressure of the triple point were estimated to be 0.61 ε∕k(B) and 0.0018(5) ε∕σ(3), and those of the critical point were 1.0709(19) ε∕k(B) and 0.1228(20) ε∕σ(3), where ε and σ are the Lennard-Jones parameters for energy and length scales, respectively, and k(B) is the Boltzmann constant. The potential used here has a finite attractive tail and does not suffer from cutoff problems. The potential can thus be a useful standard in examining statistical-mechanical problems in which different treatments for the tail would lead to different conclusions. The present phase diagram will then be a useful guide not only for equilibrium calculations but also for nonequilibrium problems such as discussions of the limits of phase (in)stability.
Yuta Asano; Kazuhiro Fuchizaki
Related Documents :
23590614 - Distinct intracellular calcium responses of individual cultured human keratinocytes to ...
20061144 - Co-gasification of different rank coals with biomass and petroleum coke in a high-press...
23409164 - Propagule pressure and climate contribute to the displacement of linepithema humile by ...
25100264 - Validation of the pangao pg-800b11 blood pressure monitor according to the european soc...
3296064 - R 8110, a new short-acting hypnotic in dogs.
23670354 - Aliskiren improves vascular smooth muscle function in the skin microcirculation of type...
Publication Detail:
Type:  Journal Article    
Journal Detail:
Title:  The Journal of chemical physics     Volume:  137     ISSN:  1089-7690     ISO Abbreviation:  J Chem Phys     Publication Date:  2012 Nov 
Date Detail:
Created Date:  2012-11-13     Completed Date:  -     Revised Date:  -    
Medline Journal Info:
Nlm Unique ID:  0375360     Medline TA:  J Chem Phys     Country:  United States    
Other Details:
Languages:  eng     Pagination:  174502     Citation Subset:  IM    
Department of Physics, Ehime University, Matsuyama 790-8577, Japan.
Export Citation:
APA/MLA Format     Download EndNote     Download BibTex
MeSH Terms

From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine

Previous Document:  Pairing of 1-hexyl-3-methylimidazolium and tetrafluoroborate ions in n-pentanol.
Next Document:  Semiquantal molecular dynamics simulations of hydrogen-bond dynamics in liquid water using multi-dim...