19 apr 2007 kl. 12.50 skrev Janne Hirvi:
Hello gmx-users!
I am studying the effect of impact velocity of a water droplet in
collision with
a frozen surface in NVE ensemble. A droplet has extra translational
energy,
which corresponds to a specific velocity, in addition to thermal
energy at
300K.
I supposed that at the collision extra translational energy of the
droplet will
change to potential and kinetic energy of the droplet so that total
energy of
the system is conserved. However, even I observe increase in
potential and
kinetic energy, total energy of the system (~300 000kJ/mol) first
decreases
slightly (<100kJ - exact value depends on the velocity) and just
after that
reverts partly, but stabilizes value lower than at the beginning.
Don't know for sure, but incorrect comm removal springs to mind.
The total energy should be conserved but on the other hand it
sounds logical
that there will be stabilizing energy from the droplet-surface
interactions
which prevents the droplet to bounce away and makes it to
equilibrate on the
surface. I am wondering if this is the case or have I done some
mistake which
disturbs the energy conservation?
Wouldn't that stabilizing energy be part of the total energy?
The other question concerns about the intrusion of the droplet into
the pores of
the structured surface. The situation is otherwise the same but now
the total
energy continues to decrease after first touch and wont stabilize
until the
bottom of the pore is reached. It again sounds like a consequence
of the
stabilizing energy from the droplet-surface interactions, but now
when these
interactions are larger than without the intrusion also slight
increase (2-3K)
in the droplet temperature is observed. It sounds little bit
strange that water
molecules in the pores would have higher temperature. So again is
it really the
truth or have I done something what I shouldnt have?
Thanks for your time and assistance,
Janne
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Erik Marklund, PhD student
Laboratory of Molecular Biophysics,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596, 75124 Uppsala, Sweden
phone: +46 18 471 4537 fax: +46 18 511 755
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