SUPRXNGT NOTES: - Start with Gastherm1990 -GASES - For gases, SuprxnGT uses name index file GTGASES.TBL to reconcile an 8 character name from Gastherm with the corresponding 20 character name in Supcrt. - Currently if SuprxnGT is run on Gastherm1990 or Gastherm3000, identical Supcrt reaction files (GTgases.rxn) are generated (429 reactions, as of Sept. 2024). -"MissingItems.dat" shows items found in Gastherm but not found in the name index table. -Gastherm1990 will generate a "missingitems.dat" file with 156 items that we still need. -Gastherm3000 will generate an empty "missingitems.dat" file since we don't yet have the data. Hence no records yet exist. -GTGASES.TBL contains all 588 gases, but a blank line allows only the first 429 to be read. Move the entries up as data become available. -MINERALS - For solids and liquids, SuprxnGT uses name index file GTSOLIDS.TBL with formatting as above, in GTGASES.TBL. - Currently if SuprxnGT is run on Gastherm1990 or Gastherm3000, ALMOST identical Supcrt reaction (*.rxn) files are generated (237 reactions, Sept. 2024). -ALMOST, because the stoichiomtry of the various enstatites in Gastherm 1990 (Berman and Brown) are not compatible with SUPCRT. They differ by factor of two. -The antigorite very large formula causes issues running Regress, so 236 reactions if we leave that one out for now. -Again, "MissingItems.dat" shows items found in Gastherm but not found in the name index table. -Gastherm1990 will generate a "missingitems.dat" file with 273 items that we still need. -Gastherm3000 will generate an empty "missingitems.dat" file since we don't yet have the data. Hence no records yet exist. -GTSolids.TBL contains all 510 solids, but a blank line allows only the first 237 to be read. Move the entries up as data become available. ________________________________________ -As new data are added to Supcrt, matching items are added to the name index table. Or moved above the blank line so they are read. -If added records show only stoichimetry, but with logk's and regresssion coefficients left blank, it's far easier to find them after running soltab for editing/addition of the new data.