TCE Configuration

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Latest SysCAD Version: 18 May 2023 - SysCAD 9.3 Build 139.33001

This page is available in Build 139 and later.

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Introduction

The configuration file options for the Thermodynamic Calculation Engine (TCE) Add-On can be edited via the Configuration editor in Build 139.29706 or later.

• The following TCE Add-On options are currently available in SysCAD. Please see Thermodynamic Calculation Engines for more information.
  • AQSol
  • ChemApp (using FactSage calculation techniques)
  • OLI
  • PHREEQC
• The TCE configuration tab will only be available if one or more of these options is in use (DLL has been selected during Step 1: Model Selection).
• NOTE: If upgrading from earlier builds to Build 139.29706, an auto-update of TCE configuration settings is attempted. Please review database folder location and file selections.

Editing TCE Configuration Settings

There are several configuration settings to modify how a particular TCE behaves within a project. These include:

Number	Setting/Selection	Description
	TCE Add-On	Edit the relevant TCE section based on your project requirements. TCE add-ons available are: AQSol, ChemApp, OLI and PHREEQC. In the example screenshot above, PHREEQC is used.
	TCE License Option	User can specify whether the licensed or demonstration version of the TCE interface should be used. The demonstration version can be used without a purchased TCE license, and is intended for evaluation purposes. This does not apply to the OLI interface. OLI requires fully licensed interface.
	Number of Engines	The SysCAD implementation of TCE supports multithreading, you can choose how many engines to load. The maximum number of engines is limited by the number of cores, i.e. Max = 2 x number of cores. Caution: Care should be taken to ensure that you don't run out of heap space. In Build 139 or later, if the number of engines is not specified in the cfg file then SysCAD will assume 3 engines.
	Minimum Water Content	This specifies the minimum total water content in the feed solution required for the specified TCE to solve. This does not apply to ChemApp.
	Use Ion Mapping	If checked, ion mapping algorithms will be available for use within ChemApp. This is only needed if using an aqueous database with ChemApp.
	TCE Database Folder	Required for Build 139. You must specify the database file(s) you wish to load into the project in the cfg file. All databases used by the project must be stored in the same folder, selected via the "Browse..." button. The recommended folder location is at the same folder level as the CfgFiles folder, see image to the right. It is not recommended to store database folder/files within the project folder (.spf). Folder path is saved relative to the CfgFiles folder. In the example shown, there are two databases available in the "Databases_for_PHREEQC" folder, user can select both databases for use in the project. Database files shown in grey were expected by existing cfg settings, but not found in the selected folder. These will be removed from the cfg on "OK".
	TCE Database File(s)
	IonList	The ion list can be viewed / edited using the "Edit Ion List" button. This will open the ion list stored in the project CfgFiles folder for editing (via the default text editor). A warning is given if no IonList.txt file is found. A default copy will be created on project load. NOTE: Currently the IonList is required for the AQSol and PHREEQC models.