Re: Density functional theory in hydrodynamics

From: Andrew Resnick (andy.resnick_at_NOSPAM.grc.nasaDOTgov)
Date: 07/20/04 

Date: 20 Jul 2004 12:30:47 GMT

In <99d8770e.0407200019.61ea712e@posting.google.com> DFT wrote:
<snip>
>
> Dear Andrew,
>
> these are the answers to your questions.
>
> Question 1. How do you handle the jump conditions across a material
> interface?
>
> In density functional theory there are no jumps across interface
> between two phases. The transition region and the flow inside it are
> continuous. The capillary pressure jump is the result of the complex
> behavior of the static stress tensor in the mixture; this tensor
> provides for the tension along the interface inside the transition
> region.

Thanks for the response. I'm a little confused: when I say "jump
condition", I mean that I can assign surface-excess properties such as
stress, surfactant concentration, etc. to produce a macroscopic
discontinuity. How does density-functional theory account for
microscale views of fluid interfaces? What approach to the constitutive
equations (e.g. statistical mechanical, continuum mechanical) is used to
assign surface properties?

>
> Question 2. How do you handle Marangoni flow?
>
> In density functional theory the interfacial surface effects are
> determined by coefficients at the square gradient terms in Helmholz
> free energy functionals. The Marangoni flow is related to the specific
> dependence of these coefficients on the composition of the mixture

I see... that makes sense.

>
> Concerning the papers. You may send us your post address and we shall
> send you reprints.

Will do- thanks!

>
> Regards,
>
> Density Functional Team
> 

-- 
Andrew Resnick, Ph. D.
National Center for Microgravity Research
NASA Glenn Research Center

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