Element Set Form : Selecting Compounds by Elements

This dialog is to specify a system to be retrieved from the MALT main database and one specified user database Menu "Tools / user data." This search procedure is based on selections of the retrieval mode and of a number of elements.

(1)radio group; (2)Panel for Elements; (3 ) Combobox for editing elements; (4 ) Button for Select/Remove Element; (5)Check button for Aqueous Species

These can be made as follows:

1) Mode of searching compounds

Using radio group(1), one mode can be selected from the following three retrieval modes:

Normal compounds consisting of only selected elements

Those compounds which contain only the elements specified are included. This mode is convenient for the software such as gem or CHD.
<Ca,C,O> : By selecting Ca, C, O three elements, the following compounds are retrieved:
- O(g), O2(g), O3(g), CO(g), CO2(g),
- Ca, CaO, CaC2, CaCO3
<Fe,O,H> : When Fe, O, H are selected, unary compounds such as Fe(c), O2(g), and H2(g), binary compounds such as FeO, H2O and ternary compounds such as Fe(OH)2 will be collected.

Compounds containing at least all elements specified

[Fe] : When Fe is selcted, all compounds which contain Fe will be collected.
[Si,O] : Those compounds which contain all of the specified elements are included. By specifing [Si,O], the following compounds are retrieved:

SiO(g)
SiO2, PbSiO3,Al2SiO5, , ,

Compounds which contain only the specified elements and contain all of the specified compound.

{Fe,O,H} : When Fe, O, H are selected, tenary compounds like Fe(OH)2 will be collected.
{Si,Al,O} : By specifying {Si,Al,O}, the following compounds are retrieved:

Al2SiO5 andalusite, Al2SiO5 kyanite, Al2SiO5 sillimanite, Al2Si2O6 metakaolinite, Al6Si2O13 mullite

2) Elements

Elements to define the systems can be selected by using followings:

Panel for Elements (2 ) : The current status of selection of elements is displayed in the periodic table; note that hydrogen isotopes, D and T are also included here since their compounds are available in some extent. Those selected elements are given in character in white with dark background, whereas the currently focused element is indicated by the right blue back graound; the red color is for selected, while the black color is focused but not selected.

Panel for displaying the present status of selecting elements. The present status is shown in terms of colors as follows;

Elements not specified nor selected.
Elements selected.
Elements specified but not selected.

To select the specified element,

Double click on the panel by mouse;
Move the focus to the Select / Remove Button and click (c/r).
input "S" from keyboard.

To remove the select element

Double click on the panel of target element by mouse

Move the focus to the Select / Remove Button and click (c/r).
input "R" from keyboard.

To specify element,

Click on the panel of target element by mouse,
Input Fn key + one of (Up, Down, Right, Left arrow key)

Combobox (3 ) Combobox for editing and displaying elements selected

Display of selected elements:

Whenever selection is made by using panels in the periodic tables, a new combination of elements are displayed in the edit field of the combobox in the sequence of the NBS order.

Selection of one of listed previously selected combinations:

By clicking the downward arrow of the right hand side of edit field, a list of previously selected combinations is given in a chronological order.

Direct Editing Element combinations:

You can directly edit the combination of elements by using "," as delimiter. Whenever the input text can be interpreted correctly, the resolved elements are displayed in the periodic tables by changing color of the panels for elements.

Button (4 ) for Selecting or Removing the Specified Element

When any element is focused in the periodic table in the Panel, decision can be made by hitting this button. When the target element is not included, the element will be selected. When the target element is already included, the element will be removed.
The same procedure can be made by double clicking the element panel itself.

Check button (5) for Aqueous Species

MALT option for Including Aqueous Species is reproduced here.
This option is very important when the Pourbaix diagram will be constructed in an automatic manner. Because the gem or CHD needs a well organized set of compounds by the retrieving mode (1), and also because those systems should contain the hydrgen and the oxygen as the crucial elements, the elements of "O" and "H" are automatically included whenever the retrieval mode (1) is selected together with check in the aqueous ion.
When other retrieval mode is selected, this automatic inclusion of "O" and "H" is relaxed.

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