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JohnLiang

About x2t initial setting problem

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Hello,

Our client has a urgent question as following:

She wants to set different minerals and aq exist at the same time in the initial setting as the following figure:

?ui=2&ik=4d53143b7a&view=fimg&th=1658fe3839426de5&attid=0.0.1&disp=emb&realattid=1658fda65f2ad7999131&attbid=ANGjdJ9qIEnxzno-wSp01jAvOtrqOUB5kToWbJsYZUa9HlKfll15-Xaf-t3gCd8da3xPaxloBchgxkRuarUGbXHp0WrU0DqO6m7deqPO0IYAgj6r0VSD4nelQqlFlR8&sz=s0-l75-ft&ats=1536023446451&rm=1658fe3839426de5&zw&atsh=1

After running, it can't get the result because of the too large residuals as the following figure:

?ui=2&ik=4d53143b7a&view=fimg&th=1658fe3839426de5&attid=0.0.2&disp=emb&realattid=1658fda65f211bfad142&attbid=ANGjdJ_4nEcBKkeyO85sh_KqxmVOOpU3GFSU19fPaP6UGFIuWsUUBbNHggt6fOlG12s5bZ2aJy4HS9VaZU9VJVYpxVz_Q_PKfAq2-I12jXjeEQfTL_BIuSa0FRFHcDk&sz=s0-l75-ft&ats=1536023446452&rm=1658fe3839426de5&zw&atsh=1

So she wants to know how to ensure if the initial setting is suitable.

You can use the attached file.

Please help us.

Thanks a lot.

John

IRSN2007_reactive_trans_test.x2t

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Hi John,

You can’t set zero values for entries in the basis (other than pH, pe, or Eh, since those are logarithmic values). A mineral, for example, can’t have 0 values for concentration or mass. Doing so makes it impossible to solve for the distribution of mass. You can, however, set trivial non-zero concentrations. The initial fluid in this case would still be in equilibrium with the mineral throughout the domain.
 
If the system isn’t in equilibrium with a particular mineral everywhere in the domain, it can be set as a kinetic reactant on the Reactants pane. 

Hope this helps,

Brian Farrell
Aqueous Solutions LLC
 

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