DATABASE / Databases / Create databases/ logK-files

logK-files: References

In DATABASE the logK-files contain the logK° at 25°C, data on temperature effects, and the reaction stoichiometry. After that it is possible to provide reference citations. This is optional but useful.

References consist of a citation and its bibliographic information.

• Reference citations
• Bibliographic information
• Display the references in DATABASE

Reference citations

Citations are expected to be separated by either a comma (,) by a semicolon (;) or by a “plus” (+). For example, either of:

• “Yu 95,Li”
• “Yu 95, Li”
• “Yu 95+Li”

To include a “+” or “,” in a reference citation, include the citation in parentheses “()”, for example the text “1996H+(estimate based on La+3)” will be translated into two citations: “1996H” and “(estimate based on La+3)”.

Examples:

Fe(NTA)OH-;13.33;;;4,Fe 3+;1;H+;-1;NTA 3-;1;H2O;1;SmithMart
CaCO3(cr);8.48;9.62;;Ca 2+;1;;;CO3 2-;1;;;;;;;0;Wateq4F / calcite

Bibliographic information

The bibliographic information is provided in a plain text file named References.txt. This file must be located in the application path (the folder where DataBase.jar is located).

The program AddShowReferences may be used to add and edit citation - reference text pairs. It will take care of escaping special characters such as “\”, etc.

Each line in this text file (References.txt) contains a single citation-reference pair separated by an equal sign (=). For example:

1992Mil=Millero F J; Geochim. Cosmochim. Acta 56 (1992) 3123-3132 76Bae/Mes=Baes C. F., Jr., Mesmer R. E.,\nThe Hydrolysis of Cations. New York\: J. Wiley & Sons, 1976

Special characters:

• New line: “\n”
• Tab: “\t”
• These four characters: ! # \ =
  must be escaped with a back-slash (\).
• A space in the citation must be escaped as well:

  Yu\ 95=Yu, J.Ph. (1995) (\= 1995Yu).

Display the references in DATABASE

After using the menu “File / Search Reactions” to search the database with the selected components, on the pannel at the bottom-right (“reactions found”): it is possible to point to a reaction product with the mouse, or select it with either the keyboard or the mouse. The status line at the bottom will show: reaction, equilibrium constant, and reference citation.

Details on the reaction and its reference may be shown by right-clicking with the mouse (or pressing the “space bar” key if using the keyboard).

See also working with DATABASE

 logK-files