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Code Manual for CONTAIN 2.0 - Federation of American Scientists

Code Manual for CONTAIN 2.0 - Federation of American Scientists

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cell-to-structure radiation model can be used with CORCON. However, as previously noted a<br />

warning is issued if the net enclosure model is used, because it assumes a fixed area <strong>for</strong> the cavity<br />

and this can lead to energy conservation problems. More detailed in<strong>for</strong>mation about the radiation<br />

models is provided in Section 10.3.<br />

5.8.11 Concrete Decomposition and Ablation (2.3.8 from Bra93)<br />

The description <strong>of</strong> this physical process in Section 2.3.8 <strong>of</strong> Reference Bra93 is directly applicable<br />

to the <strong>CONTAIN</strong> implementation <strong>of</strong> CORCON. The model has been slightly altered to limit<br />

ablation rates to 2 mmh to prevent numerical problems in some <strong>of</strong> the routines. This limit is several<br />

times greater than the maximum ablation rates seen in CCI experiments per<strong>for</strong>med to date.<br />

5.8.12 Time-Dependent Melt Radius Option (2.3.9 from Bra93)<br />

The description <strong>of</strong> this parametric model in Section 2.3.9 <strong>of</strong> Reference Bra93 is directly applicable<br />

to the <strong>CONTAIN</strong> implementation <strong>of</strong> CORCON. As noted in Bra93, as implemented this model is<br />

limited to flat-bottomed cylindrical cavities. Unlike the stand-alone implementation <strong>of</strong> CORCON<br />

Mod3, up to 100 time points maybe specified. This increased number <strong>of</strong> points allows users to more<br />

realistically use the results <strong>of</strong> a mechanistic spreading calculation to chive this parametric model.<br />

5.8.13 Chemical Reactions (2.3.10 from Bra93)<br />

The description <strong>of</strong> this physical process in Section 2.3.10 <strong>of</strong> Reference Bra93 is directly applicable<br />

to the <strong>CONTAIN</strong> implementation <strong>of</strong> CORCON. Note that by default the new model <strong>for</strong> condensed<br />

phase reactions <strong>of</strong> Zr with silicon dioxide is by default disabled. The user must speci~ the<br />

CPCHEM keyword in the CORCON input block <strong>of</strong> the lower cell to enable this reaction. Another<br />

change from the stand-alone implementation is that the option to disable coking is implemented<br />

differently than as it is described in Bra93. It has been found that the approach described in Bra93,<br />

where the chemical potential <strong>of</strong> condensed carbon is set to an artificially large value, leads to slower<br />

convergence <strong>of</strong> the chemical equilibrium solver. There<strong>for</strong>e, in the <strong>CONTAIN</strong> implementation<br />

coking is disabled by skipping the relevant reactions rather than setting the chemical potentials <strong>of</strong><br />

condensed carbon to an artificially large value. This method was tested and shown to give equivalent<br />

results as the method described in Bra93 but with much improved computational efficiency. Note<br />

also that coking is disabled by default, whereas in previous implementations <strong>of</strong> CORCON in<br />

<strong>CONTAIN</strong> coking was enabled by default. The user must specify the COKING keyword in the<br />

CORCON input block to enable coking in the present implementation.<br />

5.8.14 Mass and Energy Transfer (2.3.1 1 from Bra93)<br />

The description in Section 2.3.11 <strong>of</strong> Reference Bra93 is directly applicable to the <strong>CONTAIN</strong><br />

implementation <strong>of</strong> CORCON.<br />

O 531 6/30/97

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