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Pang Yuhan

Singular Matrix in Chemical Solver

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Hi- I am a newbie using TOUGHREACT/PetraSim to simulate the Water-rock reactionmainly simulates the dissolution of calcite(mainly simulates the dissolution of calcite).

I am using ECO2N (is this right for my purpose?)and got success in simple 2D model.

I set up the chemical parameters with reference to the existing examples and run successfully.But when I try to change the chemical composition setting to the corresponding composition of carbonate rocks, there are always errors in operation.


The program runs for a period of time (usually up to several years),then it failed with the error message "Simulation is halted Prematurely"

 

yes, I think the system is too simple and there should be some more that it makes balanced, but I don't know how to make it..

 

Thank you.

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This is a TOUGHREACT error that indicates a "poorly defined chemical system".  Typically, you would want to create a model in a separate program such as PHREEQC or GWV that defines minerals and water chemistry in equilibrium.  You can then bring that into a TOUGHREACT model as initial conditions.

 

Best Regards,
Alison

 

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