Compound Table Menu: Calculate

[Compound Table] menu Calculate

Initially this menu can not be seen because there is no way to select a compound or compounds. This menu appears when the compounds are available after retrieval. When calculations will be made and corresponding results will appear, this menu disappear. When all compounds in the list is cleared, correspondingly this menu will disapear.

Calculations can be made for thermodynamic table of the thermodyanmic properties associated with one compound or with chemical reaction;

JANAF Type Table
The JANAF type thermodynamic table can be created by the following steps:

  1. Select one compound among the currently retrieved compounds shown in the Compounds Table Form.
  2. Define the calculation conditions using the pages of "computation" and "tabulation" in the MALT Options Form.
  3. Calculate.
    Results will be displayed in the Thermodynamic Table Form.

Equilibrium Constants
The thermodynamic properties changes for a chemical reaction and the equilibrium constants can be calculated in the following procedures:

  1. Define a chemical reaction by selecting compounds in the reaction using the Compounds Table Form and by specifying the stoichiometric coefficient using the Reaction Definition Form.
  2. Modify reaction
  3. Define Calculation Conditions using the pages of "computation" and "tabulation" in the MALT Options Form.
  4. Calculation
    Results will be displayed in the Thermodynamic Table Form.

A part of calculation results or all of them can be copied to clipboard using Menu: Edit.

Related : MALT Main Menus Commands in MALT Dialogs in MALT