Membrane filtration using LAMMPS

Dear LAMMPS users,

for several weeks I try to build up an 2-dimensional simulation of a simplified filtration process. Later I want to use it with an OpenFOAM solver called hac-FOAM (created in 2011). Therefore I’m using LAMMPS 13Jul11.

Is there any example for some kind of filtration/separation? Watching the mailing list I can’t find any.

The main issue is to find proper boundaries, since I didn’t find any comparable tutorial or else.

From left to right the boundary can be considered as periodic. There is one horizontal line of atoms acting as membrane close to the lower boundary, which only let pass one type of atom. To apply a horizontal velocity at the top, I use two rows of atoms.

When using periodic boundary for top and bottom, all particles leaving at the bottom reappear on top. That pushes the two upper rows (horizontal velocity) downwards. Can this only be fixed using dynamic group command (which is only available for newer LAMMPS versions)?

When using non periodic boundaries, particles leave the system at the bottom. I tried to fill the volume using pour command, but this didn’t work well. Does anyone have further ideas or examples which I should look for?

Please find a current input file attached.

Thanks in advance.

Best regards

Henrik Esche

in.remero7 (1.9 KB)

Dear LAMMPS users,

for several weeks I try to build up an 2-dimensional simulation of a
simplified filtration process. Later I want to use it with an OpenFOAM
solver called hac-FOAM (created in 2011). Therefore I’m using LAMMPS
13Jul11.

Is there any example for some kind of filtration/separation? Watching the
mailing list I can’t find any.

The main issue is to find proper boundaries, since I didn’t find any
comparable tutorial or else.

From left to right the boundary can be considered as periodic. There is
one horizontal line of atoms acting as membrane close to the lower
boundary, which only let pass one type of atom. To apply a horizontal
velocity at the top, I use two rows of atoms.

When using periodic boundary for top and bottom, all particles leaving at
the bottom reappear on top. That pushes the two upper rows (horizontal
velocity) downwards. Can this only be fixed using dynamic group command
(which is only available for newer LAMMPS versions)?

When using non periodic boundaries, particles leave the system at the
bottom. I tried to fill the volume using pour command, but this didn’t work
well. Does anyone have further ideas or examples which I should look for?

​have you looked at the LIGGGHTS project? and/or searched their user forum?
you may get better advice there.
LAMMPS developers will not be interested to make any adjustment in old
versions of LAMMPS and there are but a very small number of LAMMPS users
doing the kind of coupling, that you are doing. considering the small
number of people responding relative to the number of subscribers to the
list, your chances are extremely slim ​to get the specific help you are
looking for here.

axel