JDFTx  1.2.1
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fluid-anion

Syntax:

fluid-anion <name> <concentration> [<functional>=MeanFieldLJ] [<key1> <value1>] ...

Description:

Add anion component to fluid, where <name> may be one of:

  • Cl-
  • ClO4-
  • F-
  • OH(4H2O)-
  • OH-

The concentration must be specified explicitly in mol/liter. For classical DFT fluids, the excess functional may be one of BondedVoids|FittedCorrelations|MeanFieldLJ|ScalarEOS.

Optional component properties may be overridden using an arbitrary number of <key> <value> pairs. See command fluid-solvent for a description of adjustable properties.

Properties:

Requires:     fluid-solvent

Forbids:     (None)

Allow multiple:    yes

Default:     (None)

Back to: Input file documentation or Index of commands