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Diffusivity, mass diffusivity or diffusion coefficient is usually written as the proportionality constant between the molar flux due to molecular diffusion and the negative value of the gradient in the concentration of the species. More accurately, the diffusion coefficient times the local concentration is the proportionality constant between ...
Fick's laws of diffusion describe diffusion and were first posited by Adolf Fick in 1855 on the basis of largely experimental results. They can be used to solve for the diffusion coefficient, D. Fick's first law can be used to derive his second law which in turn is identical to the diffusion equation.
A major disadvantage of the Maxwell–Stefan theory is that the diffusion coefficients, with the exception of the diffusion of dilute gases, do not correspond to the Fick's diffusion coefficients and are therefore not tabulated. Only the diffusion coefficients for the binary and ternary case can be determined with reasonable effort.
The self-diffusion coefficient of water has been experimentally determined with high accuracy and thus serves often as a reference value for measurements on other liquids. The self-diffusion coefficient of neat water is: 2.299·10 −9 m 2 ·s −1 at 25 °C and 1.261·10 −9 m 2 ·s −1 at 4 °C. [2]
Darken’s equations can be applied to almost any scenario involving the diffusion of two different components that have different diffusion coefficients. This holds true except in situations where there is an accompanying volume change in the material because this violates one of Darken’s critical assumptions that atomic volume is constant.
In the phenomenological approach, diffusion is the movement of a substance from a region of high concentration to a region of low concentration without bulk motion. According to Fick's laws, the diffusion flux is proportional to the negative gradient of concentrations. It goes from regions of higher concentration to regions of lower concentration.
where is density, is the diffusion coefficient, is the velocity vector, is the property to be computed, is the source term, and the subscripts and refer to the "east" and "west" faces of the cell (see Fig. 1 below).
For a stationary medium , in which the diffusion coefficients, which are not necessarily equal, can vary with the three spatial coordinates, the more general gradient based diffusion equation states, = + + Considering a point source, the boundary conditions are < < where such that =, where is the source strength (total amount of released).