SED: Simple Equilibrium 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 SED is as follows:
[EH,] YCOMP, [Ymin, Ymax,] XCOMP,
where data within [] are optional.
YCOMP and XCOMP describe the variables in the X- and Y-axes as
follows:
XCOMP = name for the component in the X-axis.
YCOMP = a text describing the Y-axis:
- For a fraction diagram YCOMP = the name
of the component in the Y-axis.
- For a logarithmic diagram YCOMP = L
(or LC, Ymin, Ymax).
- For a log(solubility) diagram
YCOMP = S (or LS, Ymin, Ymax).
- For a relative diagram YCOMP = R, REFCOMP, Ymin,Ymax
(where REFCOMP is the name of the
reference chemical component).
- For calculated pe in the Y-axis YCOMP = pe, Ymin, Ymax.
- For calculated pH in the Y-axis YCOMP = pH,
Ymin, Ymax.
(Ymin and Ymax = minimum and maximum values for the Y-axis)
If before YCOMP, the text EH, is found, the redox
potential (instead of pe) is used as the variable in
the diagram.
A list of possible diagram types may be obtained from SED by entering a
? in the plot-definition input line, and running the
program: this will make SED complain that ? is not
an acceptable 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.