CHEAQS Pro: database

Properties of the database

CHEAQS has a large database. 52 cations, 32 ligands, 1763 complexes, 273 solids, 81 adsorption equilibria, 16 redox equilibria, 4 gases, three models for organic complexation.

But perhaps you want to add something to the database or want to change constants. No problem for CHEAQS Pro. Just fill in forms like the one shown here and click OK.

The database is also well documented. There is a document available with the selection rules and for each equilibrium the literature reference, including all conversions or assumptions. You can download it here (pdf-document).

(To read pdf-files, you need a pdf-reader like Foxit Reader (fast and small) or Acrobat Reader.)

Contents of the database

In the periodic table on the right, you can see (in green) which elements are covered partly or entirely in CHEAQS' database.

Version 9 of the database (September 2011) of CHEAQS contains:

52 cations (H⁺, Li⁺, Be²⁺, Na⁺, Mg²⁺, Al³⁺, K⁺, Ca²⁺, Sc³⁺, Cr³⁺, Mn²⁺, Fe²⁺, Fe³⁺, Co²⁺, Co³⁺, Ni²⁺, Cu⁺, Cu²⁺, Zn²⁺, Ga³⁺, Rb⁺, Sr²⁺, Y³⁺, Zr⁴⁺, Pd²⁺, Ag⁺, Cd²⁺, In³⁺, Sn²⁺, Sn⁴⁺, Cs⁺, Ba²⁺, La³⁺, Ce³⁺, Pr³⁺, Nd³⁺, Pm³⁺, Sm³⁺, Eu³⁺, Gd³⁺, Tb³⁺, Dy³⁺, Ho³⁺, Er³⁺, Tm³⁺, Yb³⁺, Lu³⁺, Hf⁴⁺, Hg²⁺, Pb²⁺, Bi³⁺, U(VI)O₂²⁺);

32 ligands (OH^-, H₂BO₃^-, CO₃^2-, NH₃⁰, NO₂^-, NO₃^-, F^-, H₂SiO₄^2-, PO₄^3-, S^2-, SO₃^2-, SO₄^2-, Cl^-, VO₄^3-, CrO₄^2-, MnO₄^-, H₂AsO₃^-, AsO₄^3-, SeO₃^2-, SeO₄^2-, Br^-, MoO₄^2-, I^-, WO₄^2-, CN^-, acetate, catechol, salicylate, phthalate, NTA, HEDTA and EDTA;

1763 complexes;

273 solids;

81 adsorption equilibria (as calculation examples);

16 redox equilibria (for Fe,Co, Cu, Sn, Cr, Mn, Pb, N, S, As and Se);

4 gases (CO₂, NH₃, H₂S, SO₂);

organic complexation according to the models of:

Cabaniss & Shuman (GeoChim. CosmoChim. Acta, 1988);
Tipping & Hurley (GeoChim. CosmoChim. Acta, 1992); Tipping (Comp. GeoSc. 1994);
Tipping (Aquatic Geochemistry, 1998).

CHEAQS PRO: database

Properties of the database

Contents of the database