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.
Last updated: October 2005, Christopher W. Bale
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