Applications Set 1

Click on the heading to see a screen shot of the application.

Simple 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.

Simple Salt Example (2)

The simple salt example duplicated to demonstrate an alternative way to handle units.

CaCO3 Titration

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.

Sour Gas Scrubber

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 are better).

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.

Hg Salt Solubility

The solubility of three Hg salts is plotted versus temperature.

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