DATA SET 27: PRECIPITATED/DISSOLVED SPECIES

This data set is needed only if NOMP > 0. Three records per precipitated species are needed. NOMP, the number of precipitated species, is specified in Data Set 17.

Record 1 - FORMAT(A20), containing one variable in one single line:

SPECN(II) = Name of the II-th product species or the I-th precipitated/dissolved species.

Record 2 - Unformatted input containing the following variables that may occupy multiple lines:

  1. ISCN(II) = Indicator of the II-th species concentration:

0 = species concentration is to be computed,

3 = species concentration is fixed.

  1. PKIPD = Log10 of the equilibrium formation constant for the I-th precipitated species.
  2. AXYZP(II,J), J = 1, NON, is the stoichiometric coefficient of the J-th component in the II-th product species or in the I-th precipitated/dissolved species, for use in mass action equation.
  3. BXYZP(II,J), J = 1, NON, is the stoichiometric coefficient of the J-th component in the II-th product species or in the I-th precipitated/dissolved species, for use in mole balance equation.

Record 3 - Enthalpy of precipitation/dissolution reactions, contained in one single line. This record is needed if and only if ISHEAT (specified in DATA SET 6a) > 0.

ENTHPYPR(II) = The enthalpy of the I-th precipitation/dissolution reaction that creates the II-th product species at the reference temperature TEMPREF specified in data set 6b (ML2/T2).

v1.0 - 1/14/1999

Jin-Ping Gwo, email: jgwo@umbc.edu