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Liquid_Pool_Fires: reorganize NIST cmp config and readme
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...Pool_Fires/NIST_Pool_Fires/Computational_Results/2023/NIST/NIST_Pool_Fires_cmp_config.csv
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Liquid_Pool_Fires/NIST_Pool_Fires/Computational_Results/2023/NIST/README.md
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### Contributor | ||
Name: Randy McDermott<sup>a</sup>, Kevin McGrattan<sup>a</sup>, Jason Floyd<sup>b</sup> | ||
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Institutions: | ||
<sup>a</sup>National Institute of Standards and Technology (NIST), Gaithersburg, Maryland | ||
<sup>b</sup>Fire Safety Research Institute, UL Research Institutes, Columbia, Maryland | ||
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Country: USA | ||
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------------------ | ||
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### Test case | ||
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Case 3a: Waterloo Methanol 30 cm | ||
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------------------ | ||
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### CFD package | ||
Code: [Fire Dynamics Simulator (FDS)](https://github.com/firemodels/fds) | ||
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Version: | ||
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FDS-6.8.0-564-g879930a-master | ||
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------------------ | ||
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### Resolution | ||
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#### Computational domain discretization (flow solver) | ||
Domain: 0.6 m x 0.6 m by 1.2 m | ||
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Cell size: 5 mm, 1 cm, 2 cm | ||
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Cell type: cubic | ||
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Total cells: 5 mm case: 2304000; 1 cm case: 288000; 2 cm case: 36000 | ||
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Comments: | ||
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#### Angular space discretization (radiation solver) | ||
Number of solid angles: 600, `TIME_STEP_INCREMENT`=10, `ANGLE_INCREMENT`=10 | ||
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Comments: Default FDS radiation solver | ||
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------------------ | ||
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### Initial conditions | ||
Comments: All flow variables are originally ambient and then ramped up in approximately 1 s | ||
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------------------ | ||
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### Boundary conditions | ||
* OPEN at all exterior boundaries | ||
* log law wall function for momentum | ||
* combined forced and natural convection correlations for h_conv and h_mass | ||
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#### Predicted MLR (methanol) | ||
* 10 cm thick SURF with 15 cells in depth | ||
* ∆z = 0.2618 mm in first liquid cell based on ∆z<sup>2</sup>/α<sup>2</sup> = 1 (unity time scale)) | ||
* stretched grid with stretch factor of 2 | ||
* liquid properties for methanol; no effective turblent transport | ||
* in-depth radiation absorption considered; κ=1140 m<sup>-1</sup> | ||
* dynamic, energy-conserving remeshing scheme as liquid thickness recedes | ||
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Comments: | ||
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------------------ | ||
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### Models (include parameters) | ||
Turbulence model: Deardorff (algebraic k_sgs, C_DEARDORFF=0.1), Sc_t = Pr_t = 0.5 | ||
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Near-wall turb model: WALE (C_WALE=0.6) | ||
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Combustion model: EDM wih two-step fast-fast serial reactions, see table below for fuel-specific parameters, no suppression | ||
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Radiation model: Finite-volume, upwind, first-order accurate | ||
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Radiative fraction: See table | ||
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| Fuel | Radiant Fraction | FUEL_C_TO_CO_FRACTION | FUEL_H_TO_H2_FRACTION | | ||
| :-----------------| :----------------| :---------------------| :---------------------| | ||
| Acetone | 0.31 | 0.85 | 0.50 | | ||
| Ethanol | 0.26 | 0.95 | 0.50 | | ||
| Methane | 0.15 | 0.97 | 0.50 | | ||
| Methanol (30 cm) | 0.22 | 0.97<sup>1</sup> | 0.50 | | ||
| Methanol (100 cm) | 0.21 | 0.97<sup>1</sup> | 0.50 | | ||
| Propane (20 kW) | 0.15 | 0.85 | 0.50 | | ||
| Propane (34 kW) | 0.22 | 0.85 | 0.50 | | ||
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Comments: A two-step reaction mechanism is implemented. In the first reaction, fuel is converted to CO, soot, H2, and H2O. In the second reaction, the CO, soot, and H2 are converted to CO2 and H2O. Both reactions employ fast kinetics, but proceed in series, not in parallel. The relative amounts of CO, soot, and H2 produced in the first step (dictated by the parameters FUEL_C_TO_CO_FRACTION and FUEL_H_TO_H2_FRACTION) are still subjects of study, and for the moment have been estimated based on measured results. The fractions of carbon atoms converted to CO in the first step are as follows---0.85 for acetone; 0.95 for ethanol; 0.97 for methane; 0.97 for methanol<sup>1</sup> ; 0.85 for propane. For all fuels, one half of the hydrogen atoms are converted to H2 in the first step. | ||
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<sup>1</sup>The cases run for MaCFP-2 used FUEL_C_TO_CO_FRACTION=0.97 for methanol. But since then we have changed the input files in our repository to reflect no in-flame soot formation, i.e., FUEL_C_TO_CO_FRACTION=1. | ||
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------------------ | ||
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### Discretization methods | ||
Time: Predictor-Corrector; second-order accurate | ||
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CFL: 0.8 to 1.0 | ||
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Advection: CHARM flux limiter | ||
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Diffusion: Second-order accurate central difference | ||
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Pressure-velocity coupling: Low Mach number approximation; solution of Poisson equation for pressure | ||
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------------------ | ||
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### Computational Cost (hh:mm:ss) | ||
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#### Acetone | ||
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| ∆x (cm) | Total cells | CPU cores | Sim Time (s) | Wall Clock (s) | WC (dd-hh:mm:ss) | CPU Cost | | ||
| :-------| :-----------| :-------- | :----------- | :------------- | :--------------- | :------- | | ||
| 2 | 54000 | 12 | 60 | 2927 | 00-00:48:47 | 0.0108 | | ||
| 1 | 432000 | 12 | 60 | 35481 | 00-09:51:21 | 0.0164 | | ||
| 0.5 | 3456000 | 24 | 60 | 231898 | 02-16:24:58 | 0.0268 | | ||
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#### Ethanol | ||
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| ∆x (cm) | Total cells | CPU cores | Sim Time (s) | Wall Clock (s) | WC (dd-hh:mm:ss) | CPU Cost | | ||
| :-------| :-----------| :-------- | :----------- | :------------- | :--------------- | :------- | | ||
| 2 | 54000 | 12 | 60 | 2895 | 00-00:48:47 | 0.0107 | | ||
| 1 | 432000 | 12 | 60 | 31254 | 00-09:51:21 | 0.0144 | | ||
| 0.5 | 3456000 | 24 | 60 | 223101 | 02-16:24:58 | 0.0258 | | ||
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#### Methane | ||
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| ∆x (cm) | Total cells | CPU cores | Sim Time (s) | Wall Clock (s) | WC (dd-hh:mm:ss) | CPU Cost | | ||
| :-------| :-----------| :-------- | :----------- | :------------- | :--------------- | :------- | | ||
| 2 | 54000 | 24 | 60 | 1858 | 00-00:30:58 | 0.0137 | | ||
| 1 | 432000 | 24 | 60 | 20214 | 00-05:36:54 | 0.0187 | | ||
| 0.5 | 3456000 | 24 | 60 | 219842 | 02-13:04:02 | 0.0254 | | ||
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#### Methanol 30 cm prescribed MLR | ||
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600 radiation angles for predicting heat flux | ||
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| ∆x (cm) | Total cells | CPU cores | Sim Time (s) | Wall Clock (s) | WC (dd-hh:mm:ss) | CPU Cost | | ||
| :-------| :-----------| :-------- | :----------- | :------------- | :--------------- | :------- | | ||
| 2 | 72000 | 16 | 60 | 2587 | 00-00:43:07 | 0.0095 | | ||
| 1 | 576000 | 16 | 60 | 31881 | 00-08:51:21 | 0.0147 | | ||
| 0.5 | 4608000 | 32 | 60 | 229951 | 02-15:52:31 | 0.0266 | | ||
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#### Methanol 100 cm prescribed MLR | ||
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500 radiation angles for predicting heat flux | ||
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| ∆x (cm) | Total cells | CPU cores | Sim Time (s) | Wall Clock (s) | WC (dd-hh:mm:ss) | CPU Cost | | ||
| :-------| :-----------| :-------- | :----------- | :------------- | :--------------- | :------- | | ||
| 4 | 270000 | 10 | 60 | 7925 | 00-02:12:05 | 0.0048 | | ||
| 2 | 648000 | 24 | 60 | 22562 | 00-06:16:02 | 0.0139 | | ||
| 1 | 3744000 | 108 | 60 | 64430 | 00-17:53:50 | 0.0309 | | ||
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#### Methanol 100 cm predicted MLR | ||
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500 radiation angles for predicting heat flux | ||
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| ∆x (cm) | Total cells | CPU cores | Sim Time (s) | Wall Clock (s) | WC (dd-hh:mm:ss) | CPU Cost | | ||
| :-------| :-----------| :-------- | :----------- | :------------- | :--------------- | :------- | | ||
| 4 | 270000 | 10 | 60 | 7218 | 00-02:00:18 | 0.0044 | | ||
| 2 | 648000 | 24 | 60 | 30640 | 00-08:30:40 | 0.0189 | | ||
| 1 | 3744000 | 108 | 60 | 67548 | 00-18:45:48 | 0.0324 | | ||
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#### Propane 20 kW | ||
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| ∆x (cm) | Total cells | CPU cores | Sim Time (s) | Wall Clock (s) | WC (dd-hh:mm:ss) | CPU Cost | | ||
| :-------| :-----------| :-------- | :----------- | :------------- | :--------------- | :------- | | ||
| 2 | 54000 | 24 | 60 | 1558 | 00-00:25:58 | 0.0115 | | ||
| 1 | 432000 | 24 | 60 | 18227 | 00-05:03:47 | 0.0168 | | ||
| 0.5 | 3456000 | 24 | 60 | 163774 | 01-21:29:34 | 0.0189 | | ||
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#### Propane 34 kW | ||
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| ∆x (cm) | Total cells | CPU cores | Sim Time (s) | Wall Clock (s) | WC (dd-hh:mm:ss) | CPU Cost | | ||
| :-------| :-----------| :-------- | :----------- | :------------- | :--------------- | :------- | | ||
| 2 | 54000 | 24 | 60 | 1555 | 00-00:25:55 | 0.0115 | | ||
| 1 | 432000 | 24 | 60 | 17320 | 00-04:48:40 | 0.0160 | | ||
| 0.5 | 3456000 | 24 | 60 | 190057 | 02-04:47:37 | 0.0220 | | ||
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Wall clock time: see table above | ||
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Simulation time: see table above | ||
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Number of CPUs (MPI Processes): see table above | ||
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CPU cost (Number of CPUs * Wall clock time / Simulation time / Total cells): see table above | ||
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------------------ | ||
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### Averaging period | ||
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total simulation time: 60 s | ||
averaged statistics: last 50 s | ||
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------------------ | ||
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### Special issues/problems | ||
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------------------ | ||
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### Relevant publications | ||
1. [FDS Technical Reference Guide](https://github.com/firemodels/fds/releases) | ||
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2. [FDS Validation Guide](https://github.com/firemodels/fds/releases) | ||
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