|-------------------------------------------------------------------------- | By default Perple_X includes all chemically relevant species in the | thermodynamic data file |-------------------------------------------------------------------------- | THERMOCALC data exclusions: |-------------------------------------------------------------------------- | h2oL [the water endmember for THERMOCALC melt models] is excluded because | its high-pressure, low-temperature, properties are anomalous and result in | prediction of a low-temperature melt field. This endmember cannot be excluded | from super-solidus calculations. In such cases, the calculation can be split | into low- and high-temperature sections or the T_melt option can be set to | destabilize the endmember at low temperature. h2oL | tan is a hypothetical talc endmember that is meant for a talc solution model | that is not used here. tan |-------------------------------------------------------------------------- | DEW/HKF data exclusions: |-------------------------------------------------------------------------- | HKF data for ions of amino acids does not extrapolate plausibly to high P LACTATE, GLUTARAT GLYCOLAT FORMATE, PROPANOA ACETATE, | HKF data for neutral C-O-H-S-N solute species is generally unreliable | for high concentrations, it is therefore preferable to treat these | species as solvent species (e.g., CO2, CO, CH4, ...). Regardless of | whether a species is treated as a solute (e.g., CO2,aq) or solvent (e.g. | CO2), it is critical that each species be represented by only one | thermodynamic entity (e.g., keeping both CO2 and CO2,aq) may have | catastrophic consequences. CO2,aq CO,aq METHANE, H2,aq O2,aq H2S,aq SO2,aq METHANE, H2CO3,aq ACETIC-A PROPANE, HEXANE,A ETHANE,A ETHANOL, ETHYLENE FORMIC-A BENZENE, METHANOL LACTIC-A LACTATE, GLUTARIC GLYCOLIC PROPANOL PROPANOI TOLUENE,