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Definition of species within the Nernst-Planck application in Chem Eng module
Posted Oct 15, 2009, 11:07 p.m. EDT Version 3.5a 1 Reply
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When using the Nernst-Planck (with electro-neutrality) option in the Chemical Engineering module, ensure the first species (which has its concentration calculated by COMSOL based on electro-neutrality) is one with a higher initial concentration, e.g. either Na+ or Cl- ions in a seawater droplet, rather than the H+ or OH- ions that are present in trace amounts.
Otherwise, rounding off errors will result in the calculated concentrations of dilute species (e.g. H+ or OH-) to reach un-physical values, including negative concentrations, even if the relative and absolute errors are defined to be extremely small. In a time-marching scheme, these errors progressively get blown out.
This thread also is related to Solution No. 952 in the knowledge base related to negative concentrations .
Hello Dayalan Gunasegaram
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