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Density Functional Theory Simplifies Multiphase Simulation
Posted Fri July 09, 2004 @10:19AM
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News Traditional Eulerian multiphase simulation suffers from numerical problems at phase interfaces due to the large local density variation (eg. 1000:1 for water/air). The result is numerical instability and the need for a highly refined mesh at the (usually unknown/moving) interface location.

Density functional theory, however, describes the multicomponent multiphase mixture continuously without density jumps at interfacial surfaces. This is achieved by the introduction into the Helmholz energy, or into the entropy, square component density gradient terms. As a result the hydrodynamics of multiphase mixtures is described in a unified way meaning the governing system of equations is the same at any point in space.


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