View source for TCE Configuration Options

[[Category: PHREEQC]] [[Category: AQSol]] [[Category: ChemApp]] [[Category: OLI]] __NOTOC__
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'''Related Links:''' [[TCE Configuration]]
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== Edit TCE Configuration ==
{{Available139}} The following Thermodynamic Calculation Engines (TCE's) are available in SysCAD: AQSol, ChemApp, OLI and PHREEQC.

In {{Available139|29706||y}} or later, the configuration file options for the TCE add-ons is edited via the [[Project Configuration (cfg File)|Configuration editor]].  

{{Editing Configuration - TCE Tab}}

== Edit TCE Configuration Manually (OLI Liquid-2 Phase) ==

{{Edit cfg - OLI Liquid-2 phase}}

==Edit TCE Configuration Manually (Before Build 139.29706)==
 
Prior to Build 139.29706 (and for BETA versions in Build 138), it was required to edit the configuration file manually by opening the .cfg file in a text editor (e.g.: Notepad++).  The required syntax is given below.

{{Background color|#FFFFCC| '''NOTE:''' For older projects upgraded to Build 139.29706 or later, please edit the configuration file via the [[Project Configuration (cfg File)|Configuration editor]] to auto-update these settings to the new format. Be sure to review database folder location and file selection. Once the TCE configuration data has been updated via this method, the following old format is ignored.}}

===Examples===

*'''Example 1''': If you are wanting to not allow PHREEQC to solve below 20% water, and you want to use 5 engines, you would add the following lines to the configuration:
::{| 
 |
 [PHREEQC]
 MinWaterContentForSolve=0.2
 NumEngines=5
|}

*'''Example 2''': You can specify to use the demonstration version of the interface for PHREEQC, ChemApp, and AQSol by adding the following line in the configuration file: 
::{|
|Valign=top|
 [AQSol]
 UseDemoVersion=1
|Valign=top|
 [ChemApp]
 UseDemoVersion=1
|Valign=top|
 [PHREEQC]
 UseDemoVersion=1
|}
::If this line does not exist, SysCAD will assume that you wish to use the licensed version.  The Demonstration version has some limitations but can be used for:
::# Regular operation for a limited number of species
::# Full single point calculations in the DirectCalc unit operation

*'''Example 3''': If you are storing the TCE database files in a folder at the same folder level as the CfgFiles, i.e. one folder above each project, you would specify the database options as shown below.  
:{|
|Valign=top|
 [AQSol_DATABASES]
 DB0000=$Prj\~\Databases\AQSol001.dat
 DBName0000=AQSol001.dat
|Valign=top|
 [ChemApp_DATABASES]
 DB0000=$Prj\~\ChemApp_DAT_File\cno.dat
 DBName0000=cno.dat
|Valign=top|
 [PHREEQC_DATABASES]
 DB0000=$Prj\~\Databases_for_PHREEQC\minteq.v4.dat
 DB0001=$Prj\~\Databases_for_PHREEQC\pitzer.dat
 DBName0000=minteq_v4
 DBName0001=pitzer
|}
NOTES:
#The examples are given for AQSol, ChemApp and PHREEQC.  You can copy and paste this into your configuration file, change the name as required, and then specify the correct database folder and database filenames.
#In the above, DB0000 line entry specifies the actual file location.  DBName0000 specifies the short name for this file, which is listed as an option within a model configuration unit in SysCAD.
#The $Prj is a shortcut for the project folder.  The \~\ moves the location to one folder above the project folder.  Thus, $Prj\~\Databases would look for the Databases folder from the parent folder of the project folder (usually where you store the configuration folder CfgFiles).
#You can also use full path names for the files.

=== Additional steps for AQSol ===

SysCAD 138 required an AQSol configuration file similar to this [[AQSol001.dat|example]].  H2O Aqueous Solutions ApS (https://www.phasediagram.dk/) has added new functionality to the AQSol software which eliminates the need for an AQSol configuration file.  Users of AQSol can contact H2O Aqueous Solutions ApS to get an updated AQSol dll that does not require an AQSol configuration file.

That being said, the AQSol configuration file can continue to be used with your existing AQSol dll version.  However, in this case, the user must add the following line to their AQSol configuration file (this line is NOT added by the SysCAD configuration editor when modifying from the TCEs tab):

 DllPath
 C:\Program Files (x86)\AQSOLxxx\

This update is required to ensure that the correct AQSol dll is loaded.  Note that the above is the normal installation location of AQSol.  If it is located elsewhere, set the DllPath to the correct location.

This step is only required if you wish to use your existing AQSol dll.