Document Detail

Pair force distributions in simple fluids.
MedLine Citation:
PMID:  22047252     Owner:  NLM     Status:  Publisher    
Analytic expressions are derived for the frequency distribution, P(f), of pair forces, f, and those of their α-Cartesian component, f(α), or P(f(α)), for some typical model simple fluids, expressed in terms of the radial distribution function and known constants. For strongly repulsive inverse power (IP), exponential and Yukawa purely repulsive potentials, P(f) diverges at the origin approximately as ∼f(-1), but with different limiting analytic forms. P(f(α)) is also shown to diverge as ∼f(-1) as f → 0 for the IP fluid. For the Lennard-Jones potential fluid, P(f) is finite for all f ≥ 0 but has two singularities for negative f, corresponding to the zero force limit (i.e., f → 0(-)) and the point of inflection in the potential. The corresponding component force distribution is singular as f(α) → 0 from both positive and negative force sides. The large force limit of P(f), which originates from the close neighbor interactions, is nearly exponential for the IP and LJ fluids, as is also found for granular materials. A more complete picture of force distributions in off-lattice particulate systems as a function of force law and state point (particularly the extent of "thermalization" of the particles) is provided.
A C Brańka; D M Heyes; G Rickayzen
Publication Detail:
Journal Detail:
Title:  The Journal of chemical physics     Volume:  135     ISSN:  1089-7690     ISO Abbreviation:  -     Publication Date:  2011 Oct 
Date Detail:
Created Date:  2011-11-3     Completed Date:  -     Revised Date:  -    
Medline Journal Info:
Nlm Unique ID:  0375360     Medline TA:  J Chem Phys     Country:  -    
Other Details:
Languages:  ENG     Pagination:  164507     Citation Subset:  -    
Institute of Molecular Physics, Polish Academy of Sciences, M. Smoluchowskiego 17, 60-179 Poznań, PolandDepartment of Physics, Royal Holloway, University of London, Egham, Surrey TW20 0EX, United KingdomSchool of Physical Sciences, University of Kent, Canterbury, Kent CT2 7NH, United Kingdom.
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:  Vibrational spectroscopy of water in hydrated lipid multi-bilayers. II. Two-dimensional infrared and...
Next Document:  Simulated pressure response of crystalline indole.