scholarly journals Transition from fractional to classical Stokes–Einstein behaviour in simple fluids

2017 ◽  
Vol 4 (12) ◽  
pp. 170507 ◽  
Author(s):  
Diego Coglitore ◽  
Stuart P. Edwardson ◽  
Peter Macko ◽  
Eann A. Patterson ◽  
Maurice Whelan

An optical technique for tracking single particles has been used to evaluate the particle diameter at which diffusion transitions from molecular behaviour described by the fractional Stokes–Einstein relationship to particle behaviour described by the classical Stokes–Einstein relationship. The results confirm a prior prediction from molecular dynamic simulations that there is a particle size at which transition occurs and show it is inversely dependent on concentration and viscosity but independent of particle density. For concentrations in the range 5 × 10 −3 to 5 × 10 −6  mg ml −1 and viscosities from 0.8 to 150 mPa s, the transition was found to occur in the diameter range 150–300 nm.

2001 ◽  
Vol 350 (3-4) ◽  
pp. 247-252 ◽  
Author(s):  
Hui Zhang ◽  
Bing-jian Zhang ◽  
Shiqiang Liang ◽  
Yinghong Lu ◽  
Wenxuan Hu ◽  
...  

2003 ◽  
Vol 19 (04) ◽  
pp. 352-355
Author(s):  
Zhang Hui ◽  
◽  
Zhang Bing-Jian ◽  
Liang Shi-Qiang ◽  
Lu Ying-Hong ◽  
...  

2021 ◽  
Vol 125 (5) ◽  
pp. 1487-1502
Author(s):  
Stephan Mohr ◽  
Felix Hoevelmann ◽  
Jonathan Wylde ◽  
Natascha Schelero ◽  
Juan Sarria ◽  
...  

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
Pranay Asai ◽  
Palash Panja ◽  
Raul Velasco ◽  
Milind Deo

AbstractThe pressure-driven flow of long-chain hydrocarbons in nanosized pores is important in energy, environmental, biological, and pharmaceutical applications. This paper examines the flow of hexane, heptane, and decane in carbon nanotubes (CNTs) of pore diameters 1–8 nm using molecular dynamic simulations. Enhancement of water flow in CNTs in comparison to rates predicted by continuum models has been well established in the literature. Our work was intended to observe if molecular dynamic simulations of hydrocarbon flow in CNTs produced similar enhancements. We used the OPLS-AA force field to simulate the hydrocarbons and the CNTs. Our simulations predicted the bulk densities of the hydrocarbons to be within 3% of the literature values. Molecular sizes and shapes of the hydrocarbon molecules compared to the pore size create interesting density patterns for smaller sized CNTs. We observed moderate flow enhancements for all the hydrocarbons (1–100) flowing through small-sized CNTs. For very small CNTs the larger hydrocarbons were forced to flow in a cork-screw fashion. As a result of this flow orientation, the larger molecules flowed as effectively (similar enhancements) as the smaller hydrocarbons.


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