water evaporation function

kunzhang's picture
Submitted by kunzhang on Thu, 06/20/2013 - 23:01

Hi All,

I am trying to add the water evaporation function of particles during the heating process. I am now working out CFDEM coupling. And I would like to add water evaporation into LIGGGHTS. I have already done the literature review on theory of water evaporation, but I am not sure how to add in program of LIGGGHTS. Anyone could provide a general outline of code writting and compiling? I am highly appreciating any comments!

Thanks!

Kun

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ckloss's picture

ckloss | Fri, 07/12/2013 - 14:24

Hi Kun,

have a look at fix adapt and the delete_atoms command. The first one shrinks particles during the simulation, the latter one delete them

Cheers
Christoph

kunzhang's picture

kunzhang | Fri, 08/02/2013 - 20:48

Hi Christoph,

I have looked at the command of fix adapt and example of packing, learning how to control the radius of particle during the simulation. But I am not sure that in the command of fix adapt, if atom keyword is used, is that only diameter could be used as aparam argument? I am concerning about mass change in the simulation, so I put:

#do the diameter grow
compute mas all property/atom mass

variable mreduce atom ${Rgrowrate}*c_mas
fix reduce all adapt ${growevery} atom mass v_mreduce

It shows illegal fix adapt command. How could I achieve mass calculation during the simulation?

Thanks so much for your help!

Kun

kunzhang

ckloss_ | Mon, 08/05/2013 - 19:04

Have a look at the source code of fix adapt. It does reduce the mass accordingly.

Best,
Christoph

kunzhang's picture

kunzhang | Mon, 08/05/2013 - 21:53

Thanks, Christoph,

I have read the document of the fix adapt. I know that the mass will be changed as the radius changes accordingly. It is really a great function in LIGGGHTS. But I am not sure that if fix adapt command is used:

fix grow all adapt ${growevery} atom diameter v_dgrown

The aparam after atom must be diameter? I change it to mass, so the error "Illegal fix adapt command" is shown up.

What I would like to do is first calculating the changes of the particle mass and then reduce the radius according. Does fix adapt could achieve this function or I need write new .cpp and .h file?

Thanks for your help! I am looking forward to your reply!

Kun

kunzhang