Mixing of the fluid phase in slowly sheared particle suspensions of cylinders

2017 ◽  
Vol 818 ◽  
pp. 807-837 ◽  
Author(s):  
Kjetil Thøgersen ◽  
Marcin Dabrowski

We introduce a finite element model for neutrally buoyant particle suspensions of cylinders at zero Reynolds number and infinite Péclet number in the purely hydrodynamic limit, which allows us to access a high-accuracy fluid velocity field at any time during the simulation. We use the diffusive strip method to characterize the development of the concentration field in the fluid phase of sheared suspensions from initial thin filaments, and characterize the structures that form with their fractal dimension. We find that the growth of the fractal dimension of the filaments scales with the increase of mean square displacement in the fluid phase. Further, we measure the concentration distribution of tracers in the fluid phase, as well as the shear-induced self-diffusion coefficient in both the solid phase and the fluid phase. We demonstrate that the shear-induced self-diffusion coefficient is slightly larger in the fluid phase at infinite Péclet number. Finally, we investigate enhanced mass diffusivity in the fluid phase by systematic measurements of the shear-induced self-diffusion coefficient in the fluid phase for a wide range of fluid tracer Péclet numbers. We find that the functional dependence $D_{s}/D=1+\unicode[STIX]{x1D6FD}\unicode[STIX]{x1D719}^{\unicode[STIX]{x1D6FC}}Pe^{\unicode[STIX]{x1D701}}$ (where $D_{s}$ is the shear-induced self-diffusion coefficient, $D$ is the molecular diffusivity and $\unicode[STIX]{x1D719}$ is the particle volume fraction) fits the observations fairly well. We measure the constants $\unicode[STIX]{x1D6FD}=2.98\pm 0.39$, $\unicode[STIX]{x1D6FC}=1.61\pm 0.26$ and $\unicode[STIX]{x1D701}=0.900\pm 0.031$.

1963 ◽  
Vol 60 (2) ◽  
pp. 239-244 ◽  
Author(s):  
I. J. Graham-Bryce

Self-diffusion coefficients (D) for Rb+ have been measured in a heteroionic Lower Greensand soil over a wide range of moisture contents at three different compactions. The moisture content is shown to have a considerable effect on the value of the self-diffusion coefficient, a rapid rise in the value of D taking place between 5 and 10% moisture content. It is shown that this effect is not simply due to the increased volume of water-filled pore space at higher moisture contents, and other possible factors which could influence the shape of the diffusion coefficient/moisture content curve are discussed. Diffusion coefficients for Rb+ in eight other soils at pF 2 are also reported, but no simple correlation with any of several soil properties measured could be found. A value of 1·0 × 10−7cm2/sec. would seem to be a reasonable generalization for the self-diffusion coefficient of Rb+ in moist calcium-dominated soils.


Molecules ◽  
2021 ◽  
Vol 26 (13) ◽  
pp. 4030
Author(s):  
Gengbiao Chen ◽  
Zhiwen Liu

The diffusion behavior of fluid water in nanochannels with hydroxylation of silica gel and silanization of different modified chain lengths was simulated by the equilibrium molecular dynamics method. The diffusion coefficient of fluid water was calculated by the Einstein method and the Green–Kubo method, so as to analyze the change rule between the modification degree of nanochannels and the diffusion coefficient of fluid water. The results showed that the diffusion coefficient of fluid water increased with the length of the modified chain. The average diffusion coefficient of fluid water in the hydroxylated nanochannels was 8.01% of the bulk water diffusion coefficient, and the diffusion coefficients of fluid water in the –(CH2)3CH3, –(CH2)7CH3, and –(CH2)11CH3 nanochannels were 44.10%, 49.72%, and 53.80% of the diffusion coefficients of bulk water, respectively. In the above four wall characteristic models, the diffusion coefficients in the z direction were smaller than those in the other directions. However, with an increase in the silylation degree, the increased self-diffusion coefficient due to the surface effect could basically offset the decreased self-diffusion coefficient owing to the scale effect. In the four nanochannels, when the local diffusion coefficient of fluid water was in the range of 8 Å close to the wall, Dz was greater than Dxy, and beyond the range of 8 Å of the wall, the Dz was smaller than Dxy.


2021 ◽  
Vol 11 (1) ◽  
Author(s):  
Parisa Jahanbakhsh Bonab ◽  
Alireza Rastkar Ebrahimzadeh ◽  
Jaber Jahanbin Sardroodi

AbstractDeep eutectic solvents (DESs) have received much attention in modern green chemistry as inexpensive and easy to handle analogous ionic liquids. This work employed molecular dynamics techniques to investigate the structure and dynamics of a DES system composed of choline chloride and phenyl propionic acid as a hydrogen bond donor and acceptor, respectively. Dynamical parameters such as mean square displacement, liquid phase self-diffusion coefficient and viscosity are calculated at the pressure of 0.1 MPa and temperatures 293, 321 and 400 K. The system size effect on the self-diffusion coefficient of DES species was also examined. Structural parameters such as liquid phase densities, hydrogen bonds, molecular dipole moment of species, and radial and spatial distribution functions (RDF and SDF) were investigated. The viscosity of the studied system was compared with the experimental values recently reported in the literature. A good agreement was observed between simulated and experimental values. The electrostatic and van der Waals nonbonding interaction energies between species were also evaluated and interpreted in terms of temperature. These investigations could play a vital role in the future development of these designer solvents.


1979 ◽  
Vol 87 (2-3) ◽  
pp. 341-344 ◽  
Author(s):  
Y. Oishi ◽  
Y. Kamei ◽  
M. Akiyama ◽  
T. Yanagi

1987 ◽  
Vol 20 (5) ◽  
pp. 1133-1141 ◽  
Author(s):  
D. S. Pearson ◽  
G. Ver Strate ◽  
E. Von Meerwall ◽  
F. C. Schilling

1981 ◽  
Vol 10 ◽  
Author(s):  
A. P. Botha ◽  
R. Pretorius

Radioactive 31Si (half-life, 2.62 h) was used as a marker to study Co2Si, CrSi2, TiSi2 and ZrSi2 formation. By marking the initial layer of silicide with radioactive silicon atoms and by measuring the activity profile in the silicide layer after further silicide formation, the dominant diffusing species and its mechanism of diffusion during the formation of these silicides could be determined. For Co2Si it was found that cobalt is the diffusing species, while disilicide formation was found to take place by silicon substitutional (vacancy) diffusion, with a high self-diffusion coefficient.


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