- properties of a species or chemical reaction
| Examples: |
2
Al + 1.5 O2 = Al2O3
[default phases] |
 |
| |
-
default values |
SiO2
[default phase] |
|
|
|
-
Properties
of a species. |
|
Cu2S
|
+ |
O2 |
= |
Cu
|
+ |
SO2 |
| [liquid] |
|
[gas] |
|
[liquid] |
|
[gas] |
|
|
|
|
-
Unbalanced reaction, Reaction-Web will attempt to balance
it |
|
H[+]
|
+ |
OH[-]
|
= |
H2O
|
|
| [aqueous] |
|
[aqueous] |
|
[liquid] |
|
|
|
|
|
-
Aqueous reaction - note H2O is [liquid] and not [aqueous] |
|
Instructions:
Select the units, specify a temperature range and enter a chemical
reaction. The default setting is for the formation of 1 mole of
Al2O3 at 300, 400, 500, ..... 2000 K at 1 atm. Temperatures should
be in the range 300 to 6000 K. The step must be such so that no
more than 100 temperatures are calculated. Up to 2 reactants and
2 products may be entered. The default phase is the most stable
standard state at the temperature of the calculation. Standard states
are pure gases, liquids and solids at unit pressure, and one molal
aqueous solutions. Reaction-Web also calculates the system
at 298.15 K. If the reaction is unbalanced (and contains no charged
ions), Reaction-Web attempts to balance it before computing
the properties. This is especially useful if the reaction is in
'grams'. If no products are entered, the 'absolute' thermodynamic
properties of the reactant(s) are calculated.
Reaction
calculates changes in extensive thermochemical functions (H, G,
V, S, Cp, A) for a species, a group of species, or a chemical
reaction. Data are automatically retrieved from the 
pure substances database. Here, in Reaction-Web, the reaction
is limited to isothermal standard state properties and the equilibrium
constant, Keq. In the full Reaction
module of the 
package, the temperature, pressure, phase and activity of each
species may be independently specified to perform equilibrium,
adiabatic, isentropic, vapour pressure calculations, etc. Species
may in solutions, and there may be up to 24 reactants and products
with data retrieved from private and other databases. Spreadsheets
can be generated and figures plotted that then may be exported
into other applications such as Lotus 1-2-3, Excel, WordPerfect
and Microsoft Word.
|