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@leekadz leekadz commented Jun 17, 2025

Reproduce Calderoni et al. (2008) tritium in FLiBe experiment
(Ref. #12)
(Ref. #193)

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@simopier simopier self-assigned this Jun 19, 2025
@simopier simopier self-requested a review June 19, 2025 02:23
@simopier simopier added the V&V Relevant to V&V label Jun 19, 2025
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moosebuild commented Jun 19, 2025

Job Documentation, step Sync to remote on 1b21cb4 wanted to post the following:

View the site here

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Thank you!
Good first take using a very simplified version of the model to reproduce this experimental data. Obviously, there is more to do here to match the measurements, but we'll get there step by step.
I have some comments/suggestions, especially related to how the Ni/FLiBe interface is being modeled, which we should discuss.

Additionally, it seems like you are having the same issue as detailed in: #200
Look at how we temporarily updated the test specification files to not run them for these validation cases, and reproduce this here.

| --------- | ----------- | ----- | ----- | --------- |
| $l_{\mathrm{Ni}}$ | Ni membrane thickness | $2$ | mm | [!cite](calderoni2008measurement) |
| $l_{\mathrm{FLiBe}}$ | FLiBe membrane thickness | $81$ | mm | [!cite](calderoni2008measurement) |
| $P_{T_2}$ | Input pressure | $1210$ | Pa | [!cite](hattab2024openfoam) |
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Is that value not from Pattrick's paper?

| $K_{s, \mathrm{FLiBe}}$ | Henry's law solubility for tritium in FLiBe | $7.9 \times 10^{-2} \exp(- 35 \times 10^3 / RT)$ | mol/m$^3$/Pa | [!cite](calderoni2008measurement) |
| $D_{\mathrm{Ni}}$ | Diffusivity of tritium in nickel | $7 \times 10^{-7} \exp(- 39.5 \times 10^3 / RT)$ | m$^2$/s | [!cite](causey2012tritium) |
| $K_{s, \mathrm{Ni}}$ | Sieverts' law solubility for tritium in nickel | $564 \times 10^{-3} \exp(- 15.8 \times 10^3 / RT)$ | mol/m$^3$/Pa$^{0.5}$ | [!cite](calderoni2008measurement) |
| $K_{d, \mathrm{Ni}}$ | Surface rate of tritium in nickel | $1.44 \times 10^{-6} \exp(- 29.68 \times 10^3 / RT)$ | mol/m$^{2}$/s/Pa | [!cite](altunoglu1991permeation) |
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You are currently not using this term, are you?

Comment on lines 130 to 142
[interface_sorption_Ni_FLiBe]
type = InterfaceSorption
K0 = ${K_s_FLiBe_prefactor}
Ea = ${K_s_FLiBe_energy}
n_sorption = ${n_Henry}
diffusivity = ${D_FLiBe}
unit_scale = ${unit_scale}
unit_scale_neighbor = ${unit_scale_neighbor}
temperature = ${temperature}
variable = 'tritium_concentration_Ni'
neighbor_var = 'tritium_concentration_FLiBe'
sorption_penalty = 1e1
boundary = 'interface_Ni_FLiBe'
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This does not correspond to the documentation (the documentation is wrong).
Also, let's discuss this in general, as I don't think this is correct either.

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Job Coverage, step Generate coverage on e2c9d34 wanted to post the following:

Coverage

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