Data Format Conversion Form is to edit the currently available compound system so as to include the information of mixture phases, which can be well convenient for utilization of such data in MALT related software such as gem or CHD.
In the targeted format, a chemical compound systems is defined to consist of the following phases:
Gaseous phase : ideal gaseous mixture.
In the MALT data base, the gaseous species has only one state so that it will not be needed to specify the state to be used in the gaseous phase.
Condensed phases : individual compounds
In the MALT database, some condensed species contain several states. In many cases, they are described in terms of the phase name such as alpha, beta. You can choose some out of the listed states.
Aqueous solution :
In the MALT database, the aqueous species can form only one state so that it will not be needed to specify the state to be used in the aqueous phase.
The resulting organized system will be kept in the rest of the MALT session and can be utilized in the application programs by means of the "MALT Direct" function call.
Alternatively, these organized compound system can be saved as the compound file. This makes it possible to use such saved data in the future MALT sessions.
This radio group is to determine whether the target phase is mixture phase or stoichiometric condensed phases.
When the mixture phase is selected, the followings should be edited properly;
(2) Phases : Selection can be made among Gas, Aqueous, Liquid and Solid in the combobox. (3) Phase Name : The default phase name is always given. This can be edited directly in this field.
When the stoichiometric condensed phase is selected, the above fields disappear.
When the target phase is specified with the option in the radio group and phases for selection, candidate compounds for the present phase can be extracted from their information on high temperature states which can be seen in the "Elevated Phases in the Define User Data Form.
The compound grid shows such candidates.
In this grid, always one compound is focused and shown as the blue line.
Selection is made by double clicking or hitting "select" button. When selection is made, the selected compound moves to the selected compound grid when only one high temperature state is included.
When several states are available, selection can be made with the Phase Selection Form.
This list shows the compounds selected for the target phase.
When there are several states at high temperatures, selected states are indicated in the last of the line;
<All> all states are included in the phase
<1,2> the first and second states are included.
When the "dispose" button is hitted or double clickeding is made in this grid, selection of the currently focused compound is cancelled and the focused compound moves back to the candidate compound grid.
Buttons for selecting compounds in the target phase are available:
All : All candidate compounds will be moved.
When the compound contains more than one state, the Phase Selection Form appear to prompt to select states to be moved.
Select : Move the currently focused compound in the candidate compound grid to the selected compound grid.
Dispose : Move the currently focused compound in the selected compound grid back to the candidate compound grid.
Clear All : All selected compounds will be cancelled and move to the candidate compound grid.
