Skip to main content

News about Scitation

In December 2016 Scitation will launch with a new design, enhanced navigation and a much improved user experience.

To ensure a smooth transition, from today, we are temporarily stopping new account registration and single article purchases. If you already have an account you can continue to use the site as normal.

For help or more information please visit our FAQs.

banner image
No data available.
Please log in to see this content.
You have no subscription access to this content.
No metrics data to plot.
The attempt to load metrics for this article has failed.
The attempt to plot a graph for these metrics has failed.
The full text of this article is not currently available.
/content/aip/journal/jcp/140/24/10.1063/1.4885676
1.
1. J. Keizer, J. Phys. Chem. 86, 5052 (1982).
http://dx.doi.org/10.1021/j100223a004
2.
2. A. Szabo, J. Phys. Chem. 93, 6929 (1989).
http://dx.doi.org/10.1021/j100356a011
3.
3. M. V. Smoluchowski, Z. Phys. Chem. 92, 129 (1917).
4.
4. W. J. Briels, Theory of Polymer Dynamics (University of Twente, 1998), see http://cbp.tnw.utwente.nl/PolymeerDictaat/index.html.
5.
5. R. Zwanzig, Adv. Chem. Phys. 15, 325 (1969).
http://dx.doi.org/10.1002/9780470143605.ch17
6.
6. G. K. Batchelor, J. Fluid Mech. 74, 1 (1976).
http://dx.doi.org/10.1017/S0022112076001663
7.
7. U. Balucani, R. Vallauri, T. Gaskell, and M. Gori, J. Phys. C: Solid State Phys. 18, 3133 (1985).
http://dx.doi.org/10.1088/0022-3719/18/16/010
8.
8. H. Tanaka and T. Araki, Phys. Rev. Lett. 85, 1338 (2000).
http://dx.doi.org/10.1103/PhysRevLett.85.1338
9.
9. C. M. Schroeder, E. S. G. Shaqfeh, and S. Chu, Macromolecules 37, 9242 (2004).
http://dx.doi.org/10.1021/ma049461l
10.
10. H.-X. Zhou and A. Szabo, J. Chem. Phys. 95, 5948 (1991).
http://dx.doi.org/10.1063/1.461616
11.
11. M. Litniewski and J. Gorecki, Phys. Chem. Chem. Phys. 6, 72 (2004);
http://dx.doi.org/10.1039/b308680a
11.M. Litniewski and J. Gorecki, Acta Phys. Pol. B 36, 1677 (2005).
12.
12. B. J. Alder and T. E. Wainwright, Phys. Rev. A 1, 18 (1970);
http://dx.doi.org/10.1103/PhysRevA.1.18
12.W. W. Wood, in Fundamental Problems in Statistical Mechanics III, edited by E. G. D. Cohen (North-Holland, Amsterdam, 1975).
13.
13. J. P. Boon and S. Yip, Molecular Hydrodynamics (McGraw-Hill, New York, 1980).
14.
14. M. P. Allen and D. J. Tildesley, Computer Simulations of Liquids (Oxford University, Oxford, 1987).
15.
15.See supplementary material at http://dx.doi.org/10.1063/1.4885676 for calculations of diffusion constants, relationships (6) and (8) and Table I. [Supplementary Material]
16.
16. J. Mittal and G. Hummer, J. Chem. Phys. 137, 034110 (2012).
http://dx.doi.org/10.1063/1.4732515
http://aip.metastore.ingenta.com/content/aip/journal/jcp/140/24/10.1063/1.4885676
Loading
/content/aip/journal/jcp/140/24/10.1063/1.4885676
Loading

Data & Media loading...

Loading

Article metrics loading...

/content/aip/journal/jcp/140/24/10.1063/1.4885676
2014-06-30
2016-12-06

Abstract

Using molecular dynamics simulations for a liquid of identical soft spheres we analyze the relative diffusion constant () and the self diffusion constant where is the interparticle distance and = 2, 3 denotes the dimensionality. We demonstrate that for the periodic boundary conditions, is a function of the system size and the relation: ( = /2) ≅ 2 (), where is the length of the cubic box edge, holds both for = 2 and 3. For = 2 both () and () increase logarithmically with its argument. However, it was found that the diffusive process for large two dimensional systems is very sensitive to perturbations. The sensitivity increases with and even a very low perturbation limits the increase of (). Nevertheless, due to the functional form of () the standard assumption for the Smoluchowski type models of reaction kinetics at three dimensions: () ≈ 2 leads to giant errors if applied for = 2.

Loading

Full text loading...

/deliver/fulltext/aip/journal/jcp/140/24/1.4885676.html;jsessionid=NsICZcRtx1HjxZcqW01C62sW.x-aip-live-03?itemId=/content/aip/journal/jcp/140/24/10.1063/1.4885676&mimeType=html&fmt=ahah&containerItemId=content/aip/journal/jcp
true
true

Access Key

  • FFree Content
  • OAOpen Access Content
  • SSubscribed Content
  • TFree Trial Content
752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
/content/realmedia?fmt=ahah&adPositionList=
&advertTargetUrl=//oascentral.aip.org/RealMedia/ads/&sitePageValue=jcp.aip.org/140/24/10.1063/1.4885676&pageURL=http://scitation.aip.org/content/aip/journal/jcp/140/24/10.1063/1.4885676'
Right1,Right2,Right3,