| Characterization of fluid-solid phase transition of hard-sphere fluids in cylindrical pore via molecular dynamics simulation. | |
| | |
MedLine Citation:
|
PMID: 19405598 Owner: NLM Status: PubMed-not-MEDLINE |
Abstract/OtherAbstract:
|
Equation of state and structure of hard-sphere fluids confined in a cylindrical hard pore were investigated at the vicinity of fluid-solid transition via molecular dynamics simulation. By constructing artificial closed-packed structures in a cylindrical pore, we explicitly capture the fluid-solid phase transition and coexistence for the pore diameters from 2.17sigma to 15sigma. There exist some midpore sizes, where the phase coexistence might not exist or not clearly be observable. We found that the axial pressure including coexistence follows oscillatory behavior in different pore sizes; while the pressure tends to decrease toward the bulk value with increasing pore size, the dependence of the varying pressure on the pore size is nonmonotonic due to the substantial change of the alignment of the molecules. The freezing and melting densities corresponding to various pore sizes, which are always found to be lower than those of the bulk system, were accurately obtained with respect to the axial pressure. |
| | |
Authors:
|
Huan Cong Huang; Sang Kyu Kwak; Jayant K Singh |
Related Documents
:
|
16321088 - Evanescent high pressure during hypersonic cluster-surface impact characterized by the ... 16375558 - Stability of ca-montmorillonite hydrates: a computer simulation study. 23145728 - 1,1-diamino-2,2-dinitroethylene under high pressure-temperature. 3763378 - Determination of permeabilities for two gases from recording the partial pressure of on... 17707098 - Combined nt-pro-bnp and cw-doppler ultrasound cardiac output monitoring (uscom) in epir... 11265438 - Fundal pressure during the second stage of labor. |
Publication Detail:
|
Type: Journal Article |
Journal Detail:
|
Title: The Journal of chemical physics Volume: 130 ISSN: 1089-7690 ISO Abbreviation: J Chem Phys Publication Date: 2009 Apr |
Date Detail:
|
Created Date: 2009-05-01 Completed Date: 2009-07-06 Revised Date: - |
Medline Journal Info:
|
Nlm Unique ID: 0375360 Medline TA: J Chem Phys Country: United States |
Other Details:
|
Languages: eng Pagination: 164511 Citation Subset: - |
Affiliation:
|
Division of Chemical and Biomolecular Engineering, School of Chemical and Biomedical Engineering, Nanyang Technological University, Singapore 637459, Singapore. |
Export Citation:
|
APA/MLA Format Download EndNote Download BibTex |
| MeSH Terms | |
Descriptor/Qualifier:
|
|
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine
Previous Document: Purely absorptive three-dimensional infrared spectroscopy.
Next Document: Critical cavity in the stretched fluid studied using square-gradient density-functional model with t...