How many VOCs can be included in a TMVOC simulation?
How many VOCs can be included in a TMVOC simulation? These are my simulation of injecting Tetrachloroethylene (STD) and Xylene- (STD) at a rate of 1E-5 kg/s for one year.
Thanks a lot!
Sincerely！
3 replies
-
The number of components in TMVOC is NK=1+NHC+NCG, where NHC is the number of VOC, NCG the number of gases (inorganic or organic with low Tcrit), and 1 is for water.
NK dimensions are set in the T2 file, while those of NHC and NCG are set in TMVOC input file. The number of both NHC and NCG is limited by the dimensions of arrays used to handle component properties and parameters. Original dimensions in TMVOC (2002) and in the PetraSim version are 20 for NHC and 10 for NCG.
So, you should not be able to run with more than 20 VOCs in the original TMVOC release and under PetraSim. About the latter, as you will use the delivered PetraSim's executable file, the maximum number of VOC could be lower, depending on dimensioning allowed for that specific executable file version.
Regards,
Alfredo
-
Thank you for your reply.
I have another question. The VOC in this simulation is " Tetrachloroethylene (STD)". What do the scalars "XVOCW" and "X(aq) Tetrachloroethylene (STD)" mean?
Looking forward to your response.
Thank you sincerely.
-
XVOCw is the total mass fraction of VOCs in the aqueous phase (TMVOC, user's guide, pag. 57).
X(aq) is the mole fraction of the VOC in the aqueous phase.
You can check by looking at the output file for a specific grid block.
If you have just one VOC, then the plots above show the same concentration distribution, one expressed in mass fraction, the other in mole fraction.
Regards,
Alfredo