DATA SET 20: ADSORPTION INFORMATION

This data set is needed if and only if NONS > 0. (NONS, the number of adsorbent components, is specified in Data Set 17). This data set contains information for NSORB adsorbing sites, which is divided into three data groups.

  1. Sorbing sites and model: One line containing the following two variables:
  1. NSORB = Number of adsorbing sites.
  2. IADS = Adsorption model index:

0 = simple surface complexation,

1 = constant capacitance model,

2 = triple layer model.

Note: If IADS = 0, NONS = 1 x NSORB

If IADS = 1, NONS = 2 x NSORB

If IADS = 2, NONS = 3 x NSORB

  1. Adsorbent locations: Total number of lines in this subset is NSORB. Each line contains the following two variables, for I = 1, NSORB:
  1. LNOA(I) = Location of the exp(-e*psio/kt) component in the component list for the I-th adsorbing site. (Components are listed in Data Sets 23 and 24).
  2. LNBA(I) = Location of the exp(-e*psib/kt) component in the component list for the I-th adsorbing site. (Components are listed in Data Sets 23 and 24).
  1. Double/triple layer capacitance and surface area: The total number of records in this subset is NMAT, each may contain multiple lines. Each record contains the following variables, for J = 1, NSORB, I = 1, NMAT:
  1. CAP1M(J,I) = Capacitance between the surface and "o" plane, (Faraday/L2) for the J-th adsorbing site in material I,
  2. CAP2M(J,I) = Capacitance between the "o" plane and "b" plane, (Faraday/L2) for the J-th adsorbing site in material I,
  3. SREAM(J,I) = Surface area of the J-th adsorbing site in material I, (L2/M of solid).

v1.0 - 1/14/1999

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