TABLE_HEAD, TABLE_VALUES and TABLE_END

These commands are used only in the *.POP file. It represents a convenient way to enter many experimental measurements of the same type in a table format.

In the DICTRA module, you work with a .DOP file instead of a .POP file.

These commands should always be used together and in a sequence, meaning that a table should always start with the TABLE-HEAD command, then TABLE-VALUES, and finish with TABLE-END. Between TABLE_HEAD and TABLE-VALUES also add definition lines (e.g. on phase status, reference states, conditions, experiments, labels, etc.) for the experimental measurements of the current information type.

Syntax

table_head

table_values

table_end

Prompt

 
 

After the TABLE-HEAD command, there must be an equilibrium description similar to a single experimental equilibrium but with some special notation. Then, there is always a TABLE-VALUES command, after which the actual data is given in columns. At the end of each table, there must be a TABLE-END command.

The TABLE-HEAD command must be followed by a numeric value. This is used to generate unique numeric identifiers for all the equilibria in the table. The numeric identifier is incremented by one for each experimental (equilibrium) point in the table.

 

An example of the use of a table for enthalpy measurements in the liquid is given here. Much more elaborate tables can be used

$ Enthalpies of mixing, Topor and Kleppa, Met Trans 1984 TABLE-HEAD 1

CREATE—NEW @@ 1

CHANGE-STATUS PHASE LIQ=FIX 1

SET-REFERENCE-STATE AU LIQ * 1E5

SET-REFERENCE-STATE CU LIQ * 1E5

SET-CONDITION P=1E5 T=1379 X(LIQ,AU)=@1

LABEL ALH

EXPER HMR=@2:5%

TABLE—VALUES

0.0115 -322

0.0563 -1520

0.8499 -2976

0.9002 -2114

TABLE—END
 

The equilibrium description between TABLE-HEAD and TABLE-VALUES is similar as for a single experiment, except for these details:

  • @@ Used to automatically generate a series of identifying numbers instead of creating only one with the command CREATE_NEW_EQUILIBRIUM. The program automatically generates the identifying numbers starting after the number given after the TABLE-HEAD command (in this case it is 1).
  • @1 values in the table are specified by an @ sign followed by a column number. In the above case, the mole fraction of Au in the liquid is in column 1 (see the line for SET_CONDITION). The columns may have other information than values, and you can use phase names or any text. If the text contains spaces or special characters, it must be surrounded by double quotes in the table, e.g. “ABC DEF&ghi”.
  • For the syntax checker all commands describing the equilibrium must be in UPPER case after the TABLE_HEAD command.
  • After the TABLE-VALUES command, there should be one line for each experimental measurement of the same type giving the values or texts that should be copied into the places of the condition or experiment defined by @1, t, etc. You can have columns that are not used but there must be exactly the same number of columns of each line, otherwise the syntax checker gives an error message in the PARROT module.