- chemical equilibria of an Fe-Si-S-O
system including slag, spinel, monoxide, alloy and steel.
Examples:
|
100 Fe + 0.01 O + 0.01 S + 1 Fe2SiO4 |
|
|
-
default values |
Fe + 0.01 Si + 2 FeO + SiO2 |
|
|
-
Si distribution between liquid steel and slag |
Fe3O4
+ FeO |
|
|
-
wustite (FexO) - magnetite (spinel) equilibrium including
Fe[2+]/Fe[3+] distributions |
2
FeO + SiO2 + 100 SO2 |
|
|
-
fayalite slag in equilibrium with SO2 - solubility of sulfur
in the slag |
Instructions:
Specify an equilibrium temperature (within the range 273 to 6000
K), select the units (Kelvin or Celcius; mole or gram; atm or bar),
and enter up to 3 reactants containing a total of up to 5 different
elements. For aqueous systems, use Aqualib-Web.
The default setting is for the reaction between 100g of Fe, 0.01g
of Oxygen, 0.02g of S and 1g of Fe2SiO4 at
1600 Co 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.
Equilib
calculates the most stable products for a given set of reactants.
Thermodynamic data are drawn from the
pure substances database. Here, in Equilib-Web, you are limited
to 3 reactants and 5 elements, and the possible products are an
ideal gas phase together with pure solids and liquids at unit pressure
and a defined product temperature. Also, non-ideal solutions and
charged species (aqueous and gaseous ions) are dropped from the
calculation and possible organic species are limited to 4 carbon
atoms.
In
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
and
SGTE solution databases that incorporate various solution models
(Margules polynomials, Unified Interaction Parameter Formalism,
Quasi-chemical model, Sub-lattice models, Pitzer parameters, etc).
Equilib
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 ...
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