Comparative Solution Project

The topic of calculating the convective mixing length was discussed at the Early Results Workshop in March 2024. The quantity M(t) is defined in terms of cell quantities χ^w_c (the mass fraction of CO2 in water) and χ^w_c,max (the solubility limit). For problem 11A, pressure and temperature are constant, and so χ^w_c,max is also a constant. In problems 11B and 11C, pressure and temperature are varying and I believe it was stated in the meeting that <v:shape id="_x0000_i1025" type="#_x0000_t75" style="width: 26.25pt; height: 18.75pt;"> <v:imagedata src="file:///C:/Users/ElementD/AppData/Local/Temp/msohtmlclip1/01/clip_image002.png" o:title="" chromakey="white"> </v:imagedata></v:shape> should be treated as a function of both pressure and temperature when evaluating M(t). Can you please confirm this, and also advise whether any code will be released to help evaluate M(t) for problems 11B and 11C.

Regards,

I can confirm that χ^w_c,max is a function of pressure and temperature. While this might make the evaluation quite tedious, please feel free to use a simplifying approximation and report it as part of the questionnaire.

For the calculation based on the spatial maps provided in the repo, I have decided to use the mean pressure and temperature in Box C to calculate a uniform value χ^w_c,max in each time step. While the provided scripts are certainly useful to double-check, I still would recommend to use specific calculations tailored to the employed computational grid and spatial discretization method.