OLI Systems Platform v9.6

think simulation | getting the chemistry right

More capability to the V9.6 platform with the release of V9.6.2.

V9.6:  A combination of industry-leading data parameters, thermodynamic frameworks, and software innovations tackle complex water chemistry challenges

More capability added to the V9.6 platform with the release of V9.6.2.

V9.6:  A combination of industry-leading data parameters, thermodynamic frameworks, and software innovations tackle complex water chemistry challenges

Summary of new features in V9.6.2 for Flowsheet: ESP

OLI has programmed thee exciting feature/functions into the new V9.6.2 Flowsheet: ESP Product.  They are designed to test pressure buildup (isochoric mixers), optimize for non-equilibrium (reactor-controller linkage), and expand chemistry mechanisms (surface complexation).

Isochoric mixer
Reactor-controller linkage 
Surface complexation   
Isochoric mixer 

It is now possible to test pressure buildup automatically in Flowsheet: ESP, and without specialized controllers.  This function has uses in any many constant volume applications.  A key application is simulating an autoclave experiment, where gas-liquid mixtures are heated to test temperature. The isochoric mixer automatically calculates the pressure buildup.  Similar plant processes where reactive liquids are mixed causing sudden changes in the vapor-liquid ratio, leading to burst pressures when vapor increases or perhaps cavitation due to pressure drop. 

The example below is a scenario in which 1 liter of an acid and base are mixed into a 2.5 liter sealed tank.  The steady-state buildup of gas within the tank creates a condition where the 5 atm injection pump pressure is insufficient to maintain the desired flow.

isochoric mixer.png
Reactor-controller linkage

Another interesting simulation opportunity is that it is now possible to match plant observations with simulation output in Flowsheet: ESP. There are numerous cases where a reduction-oxidation (REDOX), precipitation/adhesion or other chemical/physical process is incomplete due to rate or mass transfer limitations. This new Reactor-Controller linkage is designed to address this limitation directly. 

It is now possible to have the controller define the rate/mass transfer extent based on plant measurements or other specifications.  The example below is the REDOX reaction between H2S and O2.  Thermodynamically, this reaction should produce all H2SO4, but there are rate limits, and it stops at elemental sulfur.  Complete conversion would require a catalyst or a microbial process. 

The two images below display this difference.  The first image is the process completed to thermodynamic equilibrium.  The H2S is oxidized completely to H2SO4 and the computed pH is 0.33. 

controller 1.png

If instead, the Reactor-Controller linkage limits complete oxidation based on a measured pH, then the extent of oxidation to H2SO4 can be controlled directly. This produces a more realistic representation of sulfur oxidation and solution properties.

controller 2.png
Surface complexation

Perhaps the most unique and significant improvement to OLI Software and to the water treatment market is the ability to include surface complexation reactions.  This chemical mechanism is critical to providing drinking water: bacteria, virus, inorganic toxin removal via alum or ferric chloride addition; or removing silica from boiler feed water using magnesium oxide (MagOx or Mg(OH)2). 

The image below is a Warm Lime Softener simulation in which silica is removed by MagOx.  This produces boiler quality feed water.  The produced water stream contains 192 mg/l of dissolved silica and a second recycle stream contains an additional 69 mg/l silica.  The measured/required silica concentration in the Clarifier overflow is 25 mg/l SiO2, and the MgO inflow rate is fixed at 500 kg/hr.  The Clarifier Sludge table in the lower left displays the solids removed during the softening reaction.  Among the solids is 1616 kg/hr of HSiO3MgO1, which is the silica-MagOx surface complex.  In addition to the adsorbed silica, there is a surface complex forming between borate ions and MagOx. 


In this way, the full complement of surface chemical reactions can be incorporated into a water treatment process.


Please contact us to get any of the case files shown here, or to arrange a 1-hour orientation and an evaluation copy of OLI Flowsheet: ESP, software developed for the challenge of industrial water treatment.