ENTER_ELEMENT

Specify a system interactively. The program searches the currently switched or preset database for data for the given elements. The data for the elements in the database are the:

  • mass in g/mol
  • name of the Selected Element Reference State (SER) which normally is the stable phase for the element at 298.15 K
  • enthalpy difference for the element in the SER state at 298.15 K and zero K
  • absolute entropy for the element in the SER state at 298.15 K.

The two predefined elements, i.e. electrons and vacancies, have the chemical symbols /- and VA, respectively. Initially, these are suspended but can be entered either by this command or CHANGE_STATUS.

If an aqueous solution phase is involved, in the GIBBS module you enter a special aqueous electron called, ZE. This is specially designed for appropriately calculating the standard electric potential in the aqueous solution system.

Syntax

ENTER_ELEMENT

Prompt

Element name: <Element name>

Specify several elements on one line. The name of an element is its chemical symbol. The chemical symbols must be separated by spaces. Fictitious element names are legal but naturally no data are found in the database for them.

 

An element name (maximum 2 characters) can either have its first letter in upper and the second (if any) in lower case (i.e. Lower Case Mode) or both letters can be in upper or lower case (i.e. Upper Case Mode). The Upper or Lower Case Mode is selected by the command REINITIATE, which removes all data, and should be executed before any other command.