New PDF release: Nanoscale Fluid Transport: From Molecular Signatures to

By Tuan Anh Ho

This thesis demonstrates how molecular modeling strategies can be utilized to achieve major insights into quite a few functions which are more and more attracting learn curiosity due to their societal value. It provides leading edge principles that, by way of changing the basic actual phenomena happening on the solid/liquid interface, let the fluid shipping in nanochannels to be manipulated on the way to increase the functionality of the sensible purposes. The functions explicitly thought of during this thesis are the layout of drag-reducing and self-cleaning surfaces; water desalination; and shale gasoline exploration – all of that are, to a point, ruled through nanoscale fluid shipping. total, this thesis comes in handy for college kids and researchers getting into the sector who desire to know how molecular modeling can enhance the functionality in a variety of functions.

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Extra resources for Nanoscale Fluid Transport: From Molecular Signatures to Applications

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3 Results 29 Fig. 6 Velocity profiles obtained after the Couette flow was fully established for water confined in slit-shaped channels. The bottom surface is stationary. The top surface moves with constant velocity of 50 m/s. Results on the left panel are for surfaces of varying W. 25 × 1011 Note that the calculation of slip length Ls depends on the choice of reference Z = 0. If reference z = 0 is taken at a distance of σ *4 Å (Van der Waals size of solid atom) away from the surface, the slip length Ls reported in this table become larger (Ls + σ) Troian [23].

Because of the presence of the graphene membranes, when the ions migrate from the central pore to the side pores they remain trapped within the side pores instead of returning to the central pore consequently to thermal motion (as observed in the bare cell, see Fig. 3a). The ability of the graphene membranes to keep the ions within the side pores is a crucial feature of my design. If the membrane holes diameter D is too large, the ions can easily diffuse back from the side pores to the central pore (Fig.

9. , & Berendsen, H. (1977). Numerical integration of the cartesian equations of motion of a system with constraints: Molecular dynamics of n-alkanes. Journal of Computational Physics, 23(3), 327–341. 10. , & Nilsson, L. (2001). Structure and dynamics of the TIP3P, SPC, and SPC/E water models at 298 K. Journal of Physical Chemistry A, 105(43), 9954–9960. 11. , & Sokolowski, S. (2008). Comparison of interaction potentials of liquid water with respect to their consistency with neutron diffraction data of pure heavy water.

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