ENTER_PHASE

See About the ENTER_PHASE Command for details about the phase-type and other prompts.

With this command, the phase name, phase-type, sublattice number, and constituents or constituent array(s) for the phase are entered into the GIBBS workspaces. However, for the remaining parts of thermodynamic descriptions (i.e. thermochemical and physical parameters, excess model, and possibly additional contribution term) for the phase, the GIBBS commands ENTER_PARAMETER and AMEND_PHASE_DESCRIPTION, should be used sequentially.

Normally, data for a system are retrieved from the preset database after the elements and species are specified. This is automatically done through GET_DATA. In some cases, specify a phase interactively.

Syntax

enter_phase

Options

Description and Information

Phase name

Name of phase: <Phase name>

The phase name is any string starting with a letter and containing only letters, digits or the underscore character. The phase name must be unique.

Type code: <Phase-type code>

The Phase-type code must be specified for the phase if it is not an ordinary solution phase. Press <Enter> if the phase is ordinary.

Phase-type

G

Gaseous mixture phase.

There may only exist one gas phase in a system.

A

Aqueous solution phase.

L

Liquid solution phase but not A (aqueous) or Y (ionic liquid)

Y

Ionic liquid solution phase (that is specially treated by the Ionic Two Sublattice Liquid Model).

I

A phase with charged species but not G (gaseous), A (aqueous) or Y (ionic liquid).

F

An ordered FCC or HCP solution phase with four substitutional sublattices (additionally, such a phase can also have an interstitial sublattice).

B

An ordered BCC solution phase with four substitutional sublattices (additionally, such a phase can also have an interstitial sublattice).

Sublattice number

Number of sublattices /1/: <Sublattice number>

Phases with stoichiometric constraints usually have two or more sublattices. On each sublattice one or more species can be entered as constituents. The number of sublattices must not exceed 10. Substitutional phases with no sublattices are treated as phases with one sublattice.

Number of sites on sublattice  # /1/: <Site number>

For phases with sublattices, the ratio of the sites on each sublattice (donated with #) must be given. The program asks for values for all sublattices (by repeating this question for each sublattice), but these may have a common factor extracted. It is recommended to use integer numbers as sites if possible. For substitutional phases with no sublattices, this question does not show up.

Constituents

Name of constituent: <Constituent name(s)>

For each sublattice specify at least one species as constituent. Several constituents can be given consequently (on the repeated prompt) or on the same line separated by a space. This question is repeated till pressing <Enter> or giving a semi-colon (;), meaning that the list of constituents is terminated by (;) or an empty line.

Will you add constituents later /N/:

For Y add other constituents to the phase by specifying new components in e.g. an ENTER_PARAMETER command.

If illegal constituents are used, you get a message e.g. when parameters are entered.

Do you want a list of possible parameters /N/:

Enter Y for a list of all possible parameters up to the fifth interaction order for the entered phase.