AQSol Add-On

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Navigation: Models -> TPS Models -> AQSol Models - AQSol Add-On

AQSol Overview AQSol Model Configuration AQSol Direct Calc Model AQSol Side Calc Model AQSol Reactor

New for Build 138. Currently in BETA - contact SysCAD for demonstrations or further information.

Overview

The AQSol program can be used for general phase equilibrium calculations and process simulations for aqueous solutions.

  • The AQSol software is developed and maintained by Aqueous Solutions ApS, Søborg, Denmark, (refer to www.phasediagram.dk for further information).
  • It is assumed that the user has some familiarity with the theory and use of the AQSol program.
  • This SysCAD add-on (in ScdAQSol.DLL) requires the SysCAD "Energy Balance" and "SMDK Runtime" add-ons. An AQSol License is also required.
  • AQSol must be installed on the computer for the add-on to work. AQSol001 can be downloaded (from www.phasediagram.dk/products) and installed and used for evaluation purposes with a standard SysCAD license.
  • To ensure SysCAD can access the AQSol DLLs, they should either be placed in SysCAD bin folder or their location should be in the system path.
    You can check the system path at: Control Panel > System Properties > Advanced > Environment Variables > Path > Edit...
  • AQSol DLLs must be compiled as 32 bit. SysCAD will not work with 64 bit.
  • AQSol is used in a flexible way in Unit or Control models at appropriate locations in a plant model. It is not implemented as a Species Properties Model.

Models

AQSol Unit models:

  • AQSol Model Configuration - Used to define and view various options for the selected AQSol database, including management of mapping of SysCAD species list to species list used in AQSol.
  • AQSol Direct Calc Model - Stand alone unit model to perform side calculations using AQSol for predicting aqueous chemistry equilibrium conditions and properties on a user defined AQSol stream.
  • AQSol Side Calc Model - Stand alone unit model to perform side calculations using AQSol for predicting aqueous chemistry equilibrium conditions and properties on a SysCAD stream in the current project.
  • AQSol Reactor - Include this model in a SysCAD stream to use AQSol to calculate predicted outlet conditions. Functionality is similar to SysCAD Reaction Block and FEM where for a given feed reactions occur with optional heat exchange. The model can be configured in a number of ways for different purposes.

Species Mapping:

  • Ionlist is used to breakdown the species to ions. Please see Species Mapping for more information on this topic.

AQSol SysCAD Project Workflow

The list below are some recommended steps in creating a new AQSol SysCAD project group.

If user only intend to use AQSol for standalone equilibrium calculations, thus not linking it to existing SysCAD stream or species database, then follow the (A). If user wishes to use AQSol to evaluate SysCAD streams, then follow (B).

(A) Using AQSol as stand-alone third party software engine to perform AQSol equilibrium calculations.

  1. Extract the AQSol add-on dlls from the bin138_xxxxx_c_ScdAQSol.zip into the SysCADxxx bin folder
  2. create a valid AQSolxxx.dat file using the AQSolxxx.xlsm file and copy into the CfgFiles subfolder of the project you wish to open (or create)
    • The Demo AQSol001.xlsm can be found inside the AQSol installation folder.
    • see AQSol Referenced_File for instructions.
  3. Edit the configuration to include AQSol Models
  4. Create or open a SysCAD project using the cfg file you have just edited.
  5. Insert a AQSol Model Configuration, and configure the model:
    • load in the AQSol Model Definition file (step 2)
  6. Inset a AQSol Direct Calc Model. Use the direct calc to perform AQSol equilibrium calculations.

(B) Using AQSol to evaluate SysCAD streams or as part of the SysCAD flowsheet.

  1. Extract the AQSol add-on dlls from the bin138_xxxxx_c_ScdAQSol.zip into the SysCADxxx bin folder
  2. create a valid AQSolxxx.dat file using the AQSolxxx.xlsm file and copy into the CfgFiles subfolder of the project you wish to open (or create)
    • The Demo AQSol001.xlsm can be found inside the AQSol installation folder.
    • see AQSol Referenced_File for instructions.
  3. Create a SysCAD.93.db3 file, the SysCAD database must contain the same number of individual phases as the AQSol model file.
    • A Utility is available to assist user with the creation of SysCAD.93.db3 file.
    • The database is created using existing SysCAD data, AQSol Model data is not transferred to the SysCAD database.
    • Once a SysCAD.93.db3 file has been create, copy this database and the IonList.txt into the AQSol SysCAD project \CfgFiles subfolder
  4. Check and edit the SysCAD.93.db3 file inside the CfgFiles subfolder and correct any missing data.
  5. Create a Configuration File, select the AQSol models in step 1, select the required Species in step 2.
  6. Create a SysCAD project.
  7. Add AQSol Model Configuration,
    • load in the AQSol Model .dat file (step 2)
    • complete the AQSol Species to SysCAD Species Mapping.
    • Edit SysCAD.93.db3 and configuration file if species are missing.
  8. Once species mapping is satisfactory, add AQSol Side Calc Model or AQSol Reactor to the project where appropriate.

Utility

Generate SysCAD database from AQSol Configuration File