[OGS-PQC] advective transport of pe

Dear reactive transport modellers,

It seems advective transport of pe or e- is not supported in OGS-Phreeqc coupling. Isn't it unnecessary? (I would be sorry if this is a stupid question as I'm not familiar with these stuff.)

Meanwhile Renchao and I are trying with OGS-IPQC to simulate 1D solute transport in a granite fracture rock including mineral dissolution and precipitation. If water volume is set to 1kg, the result is same as Phreeqc standalone calculation. However if water volume is adjust to the fracture void space volume (e.g. 1e-7 kg), Phreeqc called from OGS-IPQC encountered convergence errors after some time steps while Phreeqc standalone works well. As far as I investigated this issue, only pe is different between the two approaches. and it seems the difference comes from whether advective transport of pe is considered or not. Phreeqc transport model always takes pe from an upsteram cell whereas OGS does not consider transport of pe. Is my understanding correct? If yes, how should we fix it? Can we just add another mass transport process for electron?

I would be glad to hear your opinion on this before we make stupid mistakes.

Kind regards,


Norihiro Watanabe, Dr.-Ing.
Department of Environmental Informatics

Helmholtz-Zentrum für Umweltforschung GmbH - UFZ
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