Dataset Available

Dataset supporting the publication “Position-dependent and pair diffusivity profiles from steady-state solutions of color reaction-counterdiffusion problems”

Authors: James Carmer, Frank van Swol, Thomas M. Truskett

Published On: Jan 22 2016 22:23 UTC

DOI: https://doi.org/10.7266/N7HX19PF

UDI: R1.x141.064:0055

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No. of Downloads: 3

No. of Files: 1

File Size: 46.39 KB

File Format(s):
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Project Information

Funded By:
Gulf of Mexico Research Initiative

Funding Cycle:
RFP-I

Research Group:
Consortium for the Molecular Engineering of Dispersant Systems (C-MEDS)

Point of Contact

Thomas M. Truskett
The University of Texas at Austin / Department of Chemical Engineering
truskett@che.utexas.edu

Theme keywords

Inhomogeneous fluids, Thermodynamics, Fokker-Planck, Simulations, Color reaction

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Abstract:

This dataset provides structural and dynamic measurements for confined hard-sphere fluids. Data includes position-dependent densities and diffusivities, the latter calculated via a color reaction-counterdiffusion method introduced in the publication “Position-dependent and pair diffusivity profiles from steady-state solutions of color reaction-counterdiffusion problems” DOI: 10.1063/1.4890969

Suggested Citation:

James Carmer, Frank van Swol, Thomas M. Truskett. 2016. Dataset supporting the publication “Position-dependent and pair diffusivity profiles from steady-state solutions of color reaction-counterdiffusion problems”. Distributed by: GRIIDC, Harte Research Institute, Texas A&M University–Corpus Christi. doi:10.7266/N7HX19PF

Publications:

Carmer, J., van Swol, F., & Truskett, T. M. (2014). Note: Position-dependent and pair diffusivity profiles from steady-state solutions of color reaction-counterdiffusion problems. J. Chem. Phys., 141(4), 046101. doi:10.1063/1.4890969

Purpose:

Our objective in this work was to introduce and validate a method for deriving position-dependent information about particle mobility (i.e., local diffusivities) along inhomogeneous coordinates, which has implications for characterizing the diffusive dynamics of dense fluids exhibiting arbitrary structure.

Data Parameters and Units:

All properties are appropriately non-dimensionalized for hard-sphere systems. Local number densities and single-particle diffusivities.Sheet Fig. 1: Diffusivity of hard spheres (HS) slit pores: H: width, local density rho(z), pf: packing fraction, local diffusivity Dz(z); Sheets Fig2 and Fig3: no data provided.