Example - 05 PHREEQC Projects

From SysCAD Documentation
Jump to navigation Jump to search

Navigation: User Guide ➔ Example Projects ➔ 05 PHREEQC

This page is for examples which are present in SysCAD 9.3 Build 139 or later.


Evaporators Example

PHREEQC Evap1.png.

Project Location
..\SysCADXXX\Examples\05 PHREEQC\Evaporators Example.spf
Available in Build 139 or later.

Features demonstrated

  1. The use of PHREEQCModelCfg
  2. The use of PHREEQCEvaporator
  3. The use of PHREEQCFlashTank

Brief Project Description

  1. Each PHREEQC project must contain at least one PHREEQCModelCfg model. There are two of these files defined here, each referencing to a different PHREEQC database.
  2. The PHREEQC evaporator and PHREEQC Flash Tank can both operate in standalone or Flash Train modes.

Project Configuration

PHREEQCModelCfg

  1. The Minteq_v4 PHREEQC database is used by the standalone Evaporator and Flash tank.
    • Note that Gypsum precipitation temperature is different to the Pitzer database (used in the flash train section)
    • The Minteq_v4 database has multiple equilibrium models, the Davies equilibrium model has been selected in our example.
  2. The Pitzer PHREEQC database is used by the flash train section of the model.
    • Note that Gypsum precipitation temperature is different to the Minteq_v4 database (used in the standalone section)
    • The Pitzer database does not allow multiple equilibrium models, so no selections are available.
    • SatIdx of 100 for H2O(s) has been entered in the "PHREEQCConfig" tab.
  3. Salts First algorithm has been selected for species re-building in both Minteq_v4 and Pitzer model configuration files. See Reverse Mapping section for more details.

PHREEQC Evaporator / Flash Tank

  1. The configuration of the PHREEQC Evaporator / Flash Tank are very similar to the normal Evaporator and FlashTank, the main difference is to select the PHREEQC Chemistry model to be used.

Included Excel Report

RO Plant Example

PHREEQC RO1.png .


Project Location
..\SysCADXXX\Examples\05 PHREEQC\RO Plant Example.spf
Available in Build 139 or later.

Features demonstrated

  1. The use of PHREEQCModelCfg
  2. The use of PHREEQCReverseOsmosis

Brief Project Description

  1. Each PHREEQC project must contain at least one PHREEQCModelCfg model.
  2. This project demonstrates the use of the RO unit for calculating max permeate recovery.
  3. Influence of antiscalant. This is modelled by creating a second PHREEQC configuration where we allow supersaturation of gypsum. The concentrate RO skid (RO6) uses this configuration in its calculation of maximum permeate recovery.

Project Configuration

PHREEQCModelCfg

  1. The Minteq_v4 PHREEQC database is used by the RO 01 to 05 units.
    • The Minteq_v4 database has multiple equilibrium models, the Davies equilibrium model has been selected in our example.
  2. A second Minteq_v4 PHREEQC database is used by the RO 06 unit to emulate the influence of antiscalant.
    • SatIdx of 0.3 for CaSO4:2H2O(s)(Gypsum) and CaSO4(s) have been entered in the "PHREEQCConfig" tab.
  3. Salts First algorithm has been selected for species re-building in both Minteq_v4 and Pitzer model configuration files. See Reverse Mapping section for more details.

PHREEQCReverseOsmosis

  1. The configuration of the PHREEQCReverseOsmosis is similar to the normal Reverse Osmosis (RO) Unit, the main difference are:
    • select the PHREEQC Chemistry model to be used and
    • model method: MaxYield for maximum permeate recovery.

Included Excel Report

Simple Reactor Example

PHREEQC Reactor1.png

Project Location
..\SysCADXXX\Examples\05 PHREEQC\Simple Reactor Example.spf
Available in Build 139 or later.

Features demonstrated

  1. The use of PHREEQCModelCfg
  2. The use of PHREEQCReactor
  3. The use of PHREEQCSideCalc

Brief Project Description

In this demo project, we demonstrate several different operating modes for the PHREEQC reactor.

  1. Isenthalpic, temperature of the output is calculated for an acid-base reaction
  2. Isothermal, temperature is set to the temperature of the incoming stream mixture, heat flow required to achieve this is calculated
  3. A temperature setpoint is set, heat loss is also incorporated
  4. This tank is linked with a side calculation. The side calculation is doing a calculation to determine the water required to dissolve the gypsum coming in to the tank. The calculated water flow is then applied to the makeup of the actual reactor tank. This demonstrates a feed-forward control strategy for water addition
  5. Each PHREEQC project must contain at least one PHREEQCModelCfg model.
    • We have used two PHREEQCModelCfg models in this project, one we allow supersaturation of gypsum.

Project Configuration

PHREEQCModelCfg

  1. The Minteq_v4 PHREEQC database is used by the PR_001, PR_002 and PR_004 units.
    • The Minteq_v4 database has multiple equilibrium models, the Davies equilibrium model has been selected in our example.
  2. A second Minteq_v4 PHREEQC database is used by the PR_003 unit to emulate the Gypsum being supersaturated.
    • SatIdx of 0.1 for CaSO4:2H2O(s)(Gypsum) has been entered in the "PHREEQCConfig" tab.
  3. Salts First algorithm has been selected for species re-building in both Minteq_v4 and Pitzer model configuration files. See Reverse Mapping section for more details.

PHREEQCReactor

  1. PR_001
    • Ca(OH)2 addition is being constrained, this is done by ticking "UseCFE" and in the CFE tab: Ca(OH)2 has 5% inert fraction.
    • Calculation mode is isenthalpic (delta enthalpy = 0 kW)
    • We found gypsum precipitation occurs and a slight pickup in tank temperature due to reaction. There are some Ca(OH)2 remaining due to the user specified inert fraction
  2. PR_002
    • Calculation mode is isothermal (Final T = Feed T), heat flow required to achieve this is shown in the PHREEQCResults, Energy balance section.
    • Ca(OH)2 addition is fully used and gypsum precipitation occurred
  3. PR_003
    • Calculation mode is user specified temperature, heat flow required to achieve this is shown in the PHREEQCResults, Energy balance section.
    • This reactor also uses a different SatIdx for gypsum, allowing gypsum to be supersaturated.
    • Heat loss is also being used in this model.
  4. PR_004 and PSC_001
    • The PSC_001 has been set up to determine the water required to dissolve the gypsum coming in to PR_004. The calculated water flow is then applied to the makeup of the actual reactor tank. This demonstrates a feed-forward control strategy for water addition.


Included Excel Report