1d Fractionation Output File Format

This file documents the format of fractionation files output for 1d phase fractionation 
calculations by the 6.7.3+ version of Perple_X.

                                  "fractionated_bulk.dat" 

For 1d phase fractionation calculations VERTEX generates a file named "fractionated_bulk.dat" 
that contains the molar mass of the components present in the system, after the masses of the
fractionated phases have been removed from the system, at each physical condition along the
fractionation path. Each row indicates

 1) The values of all five standard Perple_X variables (pressure, temperature, saturated phase
    composition, and two chemical potentials/fugacities/activities; typically the latter three 
    variables are not defined for phase fractionation calculations).

 2) the molar amounts of the systems components in the same order that they are entered in the 
    problem definition file.

                                "fractionated_phase_name.dat" 

In addition to "fractionated_bulk.dat", VERTEX writes files that contains the molar mass of the 
components removed from the system by each fractionating phase, at each physical condition along 
the fractionation path. For example, if you indicate that garnet and plagioclase, represented by 
the solution models Gt(HP) and Pl(h), should be fractionated, the amounts of these phases will be 
written to files named "Gt(HP).dat" and "Pl(h).dat". In these files, each row indicates:

 1) The values of all five standard Perple_X variables (pressure, temperature, saturated phase
    composition, and two chemical potentials/fugacities/activities; typically the latter three 
    variables are not defined for phase fractionation calculations). 

 2) The molar amount of the fractionated phase.

 3) The molar amounts of the systems components removed by fractionation of the relevant phase.
    The amounts are entered in the same order as in problem definition file. If these amounts 
    are divided by the molar amount of the phase, then the result is the molar composition of the 
    fractionated phase. 

If the fractionated phase is not stable or optimization fails at a physical condition along the
fractionation path, then the amounts of the fractionated phase and system components in 2) and 
3) are assigned the bad_number value specified in perplex_option.dat 
(www.perplex.ethz.ch/perplex_options_body.html#bad_number).