19.3.1. Defining Chemical Species

The first step to defining a chemical reaction is the creation of the chemical species involved. Select the Define species menu item in the task menu and follow the steps below for each species you want to define.

  Define species

  1. Specify the new species.

      Create a new species

    Ansys Polydata will ask for two names for each new species: a full name (referred to as the name) and a short name (referred to as the nickname). Nicknames will be used when you define the reactions for these species. Names and nicknames must be unique from species to species, though the name and nickname of a particular species can be the same.

    Names and nicknames can be any sequence of characters that meets the following criteria:

    • The first character is a letter.

    • The remaining characters (if any) are letters, digits, underscore symbols (_) or dollar signs.

    • Names can have at most 16 characters, while nicknames are limited to 4 characters.

    For example, A, H2O, and i_c_ are acceptable nicknames, while 2ps (starts with a number), J&B (contains an ampersand), and water (has too many characters) are not.

    Ansys Polydata and Ansys Polyflow are case sensitive, that is, they distinguish between uppercase and lowercase letters.

    You can delete a species at any time (using the Delete a species menu item) provided it is not involved in a chemical reaction or transport equation definition. If it is, you should delete that reaction or equation before deleting the species.

  2. After you have given the species a name and nickname, it will appear in the Define species menu. Select it to go to the Species parameters menu, where you can set the molecular mass of this species.

      Modification of mole mass