Applications Set 1
Click on the heading to see a screen shot of the
Salt Example (1)
A demonstration of a simple equilibrium calculator,
the simple salt example calculates the aqueous density and pH for
a solution of table salt in water. The temperature, pressure, and
inflow amounts can be changed and the effect on density, pH,
and NaCl solid formation are automatically updated in the spreadsheet.
This type of calculator application can be easily created for any
system parameter and chemistry.
Salt Example (2)
The simple salt example duplicated to demonstrate
an alternative way to handle units.
Comparison between two different titration methods
is made for a CaCO3 solution. The first method uses the standard OLI SetpH calculation to determine
the amount of acid or base to add to the solution to reach series
of pHs. The pH is plotted against milliequivalents of acid or base
added. The use of the acid or the base is automatically selected
based on the natural pH of the solution. The second method provides
a more realistic simulation of a titration using a titrant solution
instead of pure acid or base. The value in the Factor column was
adjusted such that the calculated pH matched the target pH using
a separate automated routine. Using a titrant solution accounts
for the dilution effect of the titrant. The effect is pronounced
at the lower pHs (right side of plot) with a decreased calculated
concentration of both bicarbonate ion and carbon dioxide.
The sour gas scrubber application demonstrates
the full power of calcAQ. The chief input and output parameters of a sour gas wash operation are displayed
on a single screen. This is a full-fledged calcAQ application that simulates a single-stage sour gas scrubber. The flowrates and
concentrations of the sour gas stream and the wash can be changed
and the calculation will be automatically updated. The overall
efficiency of the unit is displayed, expressed as the ratio of
sour gas components remaining in the vapor exhaust (lower numbers
The calculations are performed on a hidden and
protected sheet to demonstrate the ability of calcAQ to keep the interface simple while providing access to the full power of both
the OLI thermodynamics and the capabilities of Excel.
The solubility of three Hg salts is plotted versus