Models I to III: Outputs for Batch Calculations

The results of the calculations are output sequentially to the screen, or can be plotted as graphs. The normal, verbose, form of output is the same as for other calculations where only a single problem is entered at a time. If graphical output is selected, a new page will open containing lists of x and y variables for plotting. Note that at least three problems must be entered in the text box. Column output is divided into several separate sets, with the problem number listed in the first column to aid identification. These sets contain:

  1. Diagnostic information, P, V (system volume in m3), T, RH, volume of the aqueous phase (in cm3), moles of aqueous species, moles of gases, and moles and volumes of solids.
  2. Moles of species in the hydrophobic liquid phase (if any).
  3. Density, surface tension, molalities, mole fractions, and activity coefficients of species in the aqueous phase (if any).
  4. Mole fractions and activity coefficients of species in the hydrophobic liquid phase (if any).
  5. Total amounts of primary species in the system (i.e., values that were input).

If any of the sections are above are not needed — for example 2 and 4 in systems without hydrophobic phases — they are omitted from the output.

A complete description of the quantities output, and the column headers used, is given at the end of each set of column results. The following prefixes are commonly used:

The qualifier (aq) indicates a species in the aqueous phase, and (li) a species in the hydrophobic liquid phase. Thus, for example, n_H(aq) is the number of moles of hydrogen ion in the aqueous phase. Gases and solids are indicated by (g) and (s), respectively. These prefixes and qualifiers are also used in the drop-down selection boxes for graphical output.