AnnetteS

Tough2 allows simulation of a parent and one daughter using EOS7. Short of creating a mass-injection to replace decayed species with the daughter, is there any way to do this using petrasim and eos3?

In petrasim 5 and toughreact, the newest upgrade, if I add another linear Kd zone to the first petrasim toughreact example, it errors with: from chemical.inp '------------------------------------------------------------------------------' 'INITIAL SURFACE ADSORPTION ZONES' 0 'zone ad.surf.(m2/kg) total ad.sites (mol/l)' '------------------------------------------------------------------------------' 'INITIAL LINEAR EQUILIBRIUM Kd ZONES' 2 1 ! zone ID 'species solid-density(Sden,kg/dm**3) Kd(l/kg=mass/kg solid / mass/l' 'skdd1' 2.6 0.042735 'skdd3' 2.6 0.042735 2 ! zone ID 'species solid-density(Sden,kg/dm**3) Kd(l/kg=mass/kg solid / mass/l' 'skdd1' 2.6 0.042735 'skdd3' 2.6 0.042735 '*' 0.0 0.0 from chemical.out # TOUGHREACT Example 1' 'INITIAL LINEAR EQUILIBRIUM Kd ZONES' total number of Kd zones= 2 Kd ZONE= 1 'species solid-density(Sden,kg/dm**3) Kd(l/kg=mass/kg solid / mass/l' skdd1 0.2600E+010.4274E-01 skdd3 0.2600E+010.4274E-01 error reading Kd zone

say we start with a domain: 1x1x1 and want to add an internal square region of size 0.25x0.25x0.25 centered at 0.5x0.5x0.5. can internal boundaries be used (i.e., by defining 6 polygons with each delineating a cube face?) and what is the format of the xyz file?