Diffusion

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Diffusion is the process behind Brownian motion. It was described by Albert Einstein in one of his annus mirabilis papers of 1905. The diffusion equation that describes this process is

Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle \frac{\partial P(r,t)}{\partial t}= D \nabla^2 P(z,t),}

where Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle D} is the (self-)diffusion coefficient. For initial conditions for a Dirac delta function at the origin, and boundary conditions that force the vanishing of Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle P(r,t)} and its gradient at large distances, the solution factorizes as Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle P(r,t)=P(x,t)P(y,t)P(z,t)} , with a spreading Gaussian for each of the Cartesian components:

Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle P(x,t)=\frac{1}{\sqrt{4\pi D t}} \exp \left[ - \frac{x^2}{4 D t} \right]. }

Einstein relation

For a homogeneous system,

Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle D = \lim_{t \rightarrow \infty} \frac{1}{6} \langle \vert \mathbf{r}_i(t) \cdot \mathbf{r}_i(0) \vert^2\rangle }


Green-Kubo relation

Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle D = \frac{1}{3} \int_0^\infty \langle v_i(t) \cdot v_i(0)\rangle ~dt}

where Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle v_i(t)} is the center of mass velovity of molecule Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle i} .


References

  1. G. L. Aranovich and M. D. Donohue "Limitations and generalizations of the classical phenomenological model for diffusion in fluids", Molecular Physics 105 1085-1093 (2007)