Calc.  SED & PREDOM / PREDOM

PREDOM: Predominance Area Diagrams

Format of the Input Data-File

Format of Input Data-Files: Input files consist of: 1) definition of the chemical system; 2) plot information; and 3) concentrations (ranges) for the chemical components*.

The plot information for PREDOM is as follows:

[EH,] [ONE AREA, NAME,]
YCOMP, XCOMP, MCOMP,

where data within [] are optional.

YCOMP, XCOMP = names for components with concentration in the Y-axis and X-axis, respectively.

MCOMP = name for the central component (the component for which the predominance areas will be calculated).

If before YCOMP, the text “ONE AREA,” is found, the name of a species is read next, and the diagram will only show the predominance area for that species.

If before YCOMP, the text “EH,” is found, the redox potential (instead of pe) is displayed.

A list of possible diagram types may be obtained from PREDOM by entering a “?” in the plot-definition input line, and running the program: this will make PREDOM complain that “?” is not a correct diagram type, and the program will print a list of choices for the plot definition.

Several input file examples may be found in subdirectory “.\EXAMPLES”.


* Note: the concentration type “TV” (Total concentration Varied) can not be given for PREDOM. Use instead “LTV” (Log(Total concentration) Varied).

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