- chemical equilibria of a dilute
aqueous solution with
an ideal gas and pure solids at 298.15 K.
Enter up to 3 reactants (including water) that contain a total of
up to 5 different elements. The default setting is for the reaction
between 1 kg water, 1 mole Zn and 0.1 mole HCl (i.e. [HCl] = 0.1m)
at 25 C and 1 atm. The Output options control the
type and length of printed output but do not affect the calculated
equilibrium; 'Concentration cut-off' drops
species below this value from the output; 'Format'
displays the results in ChemSage format familiar to ChemSage
users, FACT format familiar to F*A*C*T
users, or Extended for both; 'Distribution' gives equilibrium distribution
of elements in the product phases.
calculates the most stable products for a given set of reactants.
Thermodynamic data are drawn from the F*A*C*T
pure substances database and may be listed by Compound-Web.
Here, in Aqualib-Web, you arelimited to 3 reactants and 5
elements, and the possible products are an ideal dilute aqueous
solution in equilibrium with an ideal gas phase and pure solids
at 25 C and 1 atm. Solute - solute interactions are ignored and
any non-ideal solutions (for example alloys, ceramic oxides, or
concentrated aqueous solutions with Pitzer parameters) are dropped
from the calculation and organic species are limited to 4 carbon
the complete Equilib
module of the
package, you may enter up to 48 reactants containing up to 32 elements.
Possible products may include non-ideal solutions (real gases, slags,
molten salts, mattes, ceramics, alloys, dilute solutions, aqueous,
etc.) from the
SGTE solution databases that incorporate various solution models
(Margules polynomials, Unified Interaction Parameter Formalism,
Quasi-chemical model, Sub-lattice models, Pitzer parameters, etc).
offers great flexibility in the way the calculation may be performed.
For example, a choice of units (wt.%, C, F, psi, CuFt, btu, kwh
...); metastable equilibrium; introduction of activity coefficients;
private compound and solution data; aqueous systems (dilute or concentrated);
real gases; compressibilities of condensed phases (for the geologists);
open or closed system calculations; phase mapping; phase targeting;
fixed product activities (Equilib computes
the reactant moles); predominance calculations (Equilib
selects the most prominent products); graphical and spreadsheet
output for Lotus 1-2-3, Microsoft Word, Excel, etc.; background
(macro-processing) calculations for extremley large systems. You
may supply the product temperature, pressure or volume, or you may
constrain the approach to equilibrium in a variety of ways such
as adiabatic reactions, isentopic, fixed volume change, etc ...