Implementing heterogeneous mineral distributions in PFLOTRAN

[Won Woo Yoon]

Dear all,

I am currently working on simulating radionuclide transport within a fracture characterized by heterogeneous distributions of permeability, calcite, and pyrite.

To represent spatial heterogeneity, I employed the DATASET input deck to import 128*128 grid maps (0.125 m per a grid) for permeability, calcite, and pyrite volume fractions (my model domain only uses half of the grids, 128*64).

While the heterogenous permeability field was successfully implemented, I encountered issues when attempting to apply the heterogenous volume fractions for calcite and pyrite. All three datasets were generated in the same format, so I suspect that an additional condition or specification may be required for volume fraction datasets, which I have not yet identified.

I have attached the Input files. I would appreciate any guidance or suggestions regarding the correct approach.  

Sincerely,

Won Woo Yoon

[Hammond, Glenn E]

Won Woo,

 

The issue is that the assignment chemistry initial conditions through datasets in

 

https://bitbucket.org/pflotran/pflotran/src/614a23bd3e65b80eb757681f2e72565f4e8e22c5/src/pflotran/condition_control.F90#lines-2073

 

does not support gridded datasets. You will need to use a cell indexed dataset (i.e., specifying values at each grid cell) for such.

Glenn

 

 

From: pflotra...@googlegroups.com <pflotra...@googlegroups.com> on behalf of Won Woo Yoon <yys...@yonsei.ac.kr>
Date: Saturday, May 17, 2025 at 9:23 AM
To: pflotran-users <pflotra...@googlegroups.com>
Subject: [pflotran-users: 8396] Implementing heterogeneous mineral distributions in PFLOTRAN

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[Won Woo Yoon]

Dear Glenn,

Thanks for your kind response. I was able to run the simulation successfully after converting the dataset into the cell-indexed format.

However I encountered a minor issue during the process. When both gridded and cell-indexed datasets are used, the cell-indexed dataset must be declared before the gridded dataset.

Otherwise, the cell-indexed dataset is not loaded correctly, which leads to initialization errors.

For reference, I have attached the input files I used with two .in files, 'pflotran_0_error.in' and 'pflotran_0.in'. The only difference between them is the order of the DATASET input decks.

Sincerely,

Won Woo Yoon

2025년 5월 21일 (수) 오전 3:17, 'Hammond, Glenn E' via pflotran-users <pflotra...@googlegroups.com>님이 작성:

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