change in particle size due to chemical reaction

Submitted by emahvelati on Sat, 04/13/2019 - 19:10

Hi Everyone,

I m currently working on the development of a model which can predict the diameter reduction of the particles due to a chemical reaction inside a fluidized bed reactor.

since I am a beginner in ParScale, I am wondering if it can be applied to the above-mentioned problem or not?

Any advice and recommendation are highly appreciated.

Regards

richti83's picture

richti83 | Tue, 04/16/2019 - 10:43

maybe you can use fix adapt from ~\LIGGGHTS-PUBLIC\examples\LIGGGHTS\Tutorials_public\packing\in.packing and adjust the dgrown variable.

#calculate grow rate
variable Rgrowrate equal (${alphatarget}/${alphastart})^(${growevery}/(3.*${growts}))
print "The radius grow rate is ${Rgrowrate}"
#do the diameter grow
compute rad all property/atom radius
variable dgrown atom ${Rgrowrate}*2.*c_rad
fix grow all adapt ${growevery} atom diameter v_dgrown
#run
run ${growts}