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Surface diffusion of n-alkanes: Mechanism and anomalous behavior Jae Hyun Park, N.R. Aluru *

Summary: Surface diffusion of n-alkanes: Mechanism and anomalous behavior
Jae Hyun Park, N.R. Aluru *
Beckman Institute for Advanced Science and Technology, University of Illinois at Urbana-Champaign, Urbana, IL 61801, United States
Received 16 August 2007; in final form 16 September 2007
Available online 21 September 2007
In this Letter, we investigate, using molecular dynamics simulations, the diffusion of n-octane and n-tetradecane on a graphite surface
at 300 K under incomplete coverage condition. For both molecules, we observe that the lateral diffusion coefficient exhibits a K-shape
anomaly with surface coverage i.e., the diffusion coefficient increases with the increase in surface coverage until a critical surface cover-
age, beyond which the diffusion coefficient decreases. Moreover, for low surface coverages, the longer n-tetradecane molecule moves fas-
ter compared to the shorter n-octane molecule and for high surface coverages, the n-octane molecule moves faster. We develop a new
theory to understand the surface diffusion of n-alkanes and show that D $ r2
2007 Elsevier B.V. All rights reserved.
1. Introduction
Diffusion of liquids on solid substrates has been a focus
of significant interest for many years not only because of
the numerous applications that rely on this physical phe-


Source: Aluru, Narayana R. - Department of Mechanical and Industrial Engineering, University of Illinois at Urbana-Champaign


Collections: Engineering; Materials Science