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The diffusion equation is a parabolic partial differential equation. In physics, it describes the macroscopic behavior of many micro-particles in Brownian motion , resulting from the random movements and collisions of the particles (see Fick's laws of diffusion ).
The approach based on Einstein's mobility and Teorell formula gives the following generalization of Fick's equation for the multicomponent diffusion of the perfect components: = (), where φ i are concentrations of the components and D ij is the matrix of coefficients.
In Langevin dynamics and Brownian dynamics, the Langevin equation is used to efficiently simulate the dynamics of molecular systems that exhibit a strong Brownian component. The displacement of a particle undergoing Brownian motion is obtained by solving the diffusion equation under appropriate boundary conditions and finding the rms of the ...
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] Chemical diffusion occurs in a presence of concentration (or chemical potential) gradient and it results in net transport of mass. This is the process described by the diffusion equation.
The convection–diffusion equation can be derived in a straightforward way [4] from the continuity equation, which states that the rate of change for a scalar quantity in a differential control volume is given by flow and diffusion into and out of that part of the system along with any generation or consumption inside the control volume: + =, where j is the total flux and R is a net ...
Diffusion models may also be used to solve inverse boundary value problems in which some information about the depositional environment is known from paleoenvironmental reconstruction and the diffusion equation is used to figure out the sediment influx and time series of landform changes.
The Fokker–Planck equation for this particle is the Smoluchowski diffusion equation: (, |,) = [(()) (, |,)] Where is the diffusion constant and =. The importance of this equation is it allows for both the inclusion of the effect of temperature on the system of particles and a spatially dependent diffusion constant.
The Maxwell–Stefan diffusion (or Stefan–Maxwell diffusion) is a model for describing diffusion in multicomponent systems. The equations that describe these transport processes have been developed independently and in parallel by James Clerk Maxwell [1] for dilute gases and Josef Stefan [2] for liquids. The Maxwell–Stefan equation is [3 ...