Reaction Editor
From SysCADWiki
With all the features it provides, the SysCAD Reaction Editor makes it easier to create and edit reaction files. Therefore, we highly recommend our SysCAD users install it. It is available with the latest install version of SysCAD, or from the Download section of our website.
Installing the SysCAD Reaction Editor
When SysCAD is installed a copy of the installation program for the reaction editor is included in the folder \syscad91\Setup\ReactionEditor. Alternatively, the SysCAD Reaction Editor can be downloaded from the SysCAD Downloads Page. Once you have downloaded the zip file, you can unzip the installer for the Reaction Editor.
Run the Reaction Editor installer file (.msi) and follow the steps outlined in the dialog boxes. If the default settings are used, the Reaction Editor will be installed in the folder C:\Program Files\SysCAD91.
The Reaction Editor uses the .net framework (version 2.0). If you do not have this installed on your computer you will be prompted to download it from Microsoft. You can search for this or use this link http://www.microsoft.com/downloads/details.aspx?FamilyID=0856eacb-4362-4b0d-8edd-aab15c5e04f5&displaylang=en
How to Set SysCAD to use the SysCAD Reaction Editor
In SysCAD, on the Options menu select General on the “Global” Tab page, use the file browse (“…” button) and enter the path of the Reaction Editor as shown below:
Once this is done, the next time you press the Edit_RCT in SysCAD, the SysCAD Reaction Editor will start up. See Reaction Block (RB).
Note: You may still open the reaction files with a text editor, such as Notepad, Notepad++, Textpad, etc, outside of SysCAD, if required. You do not need to run SysCAD to use the Reaction Editor, so you can view and/or edit reaction files without loading a project.
Location of Reaction Files
When a project is created in SysCAD9.1 build 126 or later, the software will automatically create a sub-folder in the project called Reactions. Any reactions stored within the project will be automatically moved to this folder. This is shown for the project, Evaporation Test, below:
This folder contains the file 'SpecieDate.ini', which contains all of the information about the species used within the project. The SysCAD Reaction Editor uses the information in this file to display the available species, determine if reactions are balanced, autobalance reactions, if required, etc. The SysCAD Reaction Editor will automatically save any new reaction files into this folder.
- Note: If the user opens an existing project that was created in an earlier build of SysCAD, they should check if the reaction files are stored within the project. If not then they should create the 'Reactions' sub-folder within the project and copy all of the required reactions into this folder.
Opening Existing Reaction Files
Once SysCAD has been set to use Reaction Editor (see How to Set SysCAD to use the SysCAD Reaction Editor), reaction files can be opened from SysCAD by pressing the 'Edit RCT' button as previously performed to open reaction files with a text editor. The SysCAD Reaction Editor will start up and open all reaction files in the current project with the selected one being in the current window. See example below:
The species used in the currently selected reaction are in bold and in blue in the species list in the right hand side window. The species used in other reactions in the current reaction file are in bold and in black in the species list in the right hand side window.
The log window will display any messages/warnings/errors found by the Reaction Editor. To clear the log go to View-Clear Log.
Existing Reaction Files can be opened from the SysCAD Reaction Editor without running SysCAD. Start up the Reaction Editor from the start menu. Go to File-Open and select the reaction file to open. The Reaction Editor will will then open the reaction file and the associated database. Alternatively, the user can go to File-Open Folder and select the reactions folder for a particular project. The Reaction Editor will then open all reaction files in the folder and the associated database.
Closing Reaction Files
Reaction files can be individually closed either by using the menu command File-Close or clicking on the X in the top right corner of the reaction window. If a file has been changed it will be blue in the left hand side window and have an '*' next to the file name on the top of the reaction window. If there are any unsaved changes to the file, the user will be asked if they wish to save the file prior to it being closed.
Creating a New Reaction File
The first time a reaction file is created in a project, the Reaction Editor will open with the following display:
The window on the Left Hand Side, Files, contains a list of all of the reaction files in the project. In this case there in only one file, as this is a new project with no existing reaction files.
The window on the Right Hand side, Species, contains a list of all of the species in the project. This list is obtained from the configuration file, and hence will change when the user changes that file.
The Reaction window will contain all reactions, any sinks or sources that the user specifies and heat exchange, if required.
To start, the user clicks on the 'Add' button and then selects either a Source, Reaction, Sink or Heat Exchange.
Adding a New Source
Click on 'Add' and select 'Source'. Type in the required source/s in the 'Sources' box, or drag them into the 'Sources' box from the species list in the right hand side window.
Adding a New Sink
Click on 'Add' and select 'Sink'. Type in the required sink/s in the 'Sources' box, or drag them into the 'Sinks' box from the species list in the right hand side window.
Adding a New Reaction
The image belows shows a new reaction being added:
The text file resulting from adding this reaction (after balancing) will be:
1 H2SO4(aq) + 1 CaCO3(s) + 1 H2O(l) = 1 CaSO4.2H2O(s) + 1 CO2(g)
Extent : Fraction CaCO3(s) = 1.0
See Reaction File Format for more information. For an explanation of extent types, see Extent.
The user has not selected the Heat of Reaction 'Override' box in this example and hence SysCAD will use the Heats of Formation of the products and reactants to calculate the Heat of Reaction. For an explanation on how heats of reaction can be specified see Heat of Reaction.
Once a reaction has been entered, its status will be shown just above the log window on the status line. If the reaction has been fully specified but not balanced then an appropriate message will be displayed in the status line. The user can choose to balance the reaction themselves or they can press the 'Balance' button. The autobalancer will then suggest how to balance the equation and the user can choose to accept or reject the suggestion.
Clone a Reaction
The user may wish to clone a reaction when a very similar reaction is required. Select the required reaction in the reaction window and click 'Clone'. A new reaction will be created at the bottom of the list which can be edited as for other reactions.
Remove a Reaction, Source, Sink or Heat Exchange
To remove a reaction, source, sink or heat exchange, simply select it in the reaction window and click 'Remove'.
Note: If you only wish to disable the reaction, source, sink or heat exchange, clear the 'Enabled' box at the bottom of the reaction window.
Move a Reaction
To change the order of the reactions in the reaction file, select the desired reaction in the reaction window and click the up and down arrow buttons to move to the desired place in the reaction file.
Note: If included, sources will always be first, sinks will always be last or second last and heat exchange will always be last. Hence none of these can be moved.
Adding Heat Exchange
To add Heat Exchange, click on 'Add' and select 'Heat Exchange'. In the Heat Exchange box, select the appropriate option from the drop down list (Final Temp., Approach Temp., Approach Ambient, Power or Electrolysis) and the specify the value of associated variables depending on options chosen. These options are explained in Heat Exchange.
Copying Reactions from other files
Reactions can be easily copied from one reaction file to another using the Reaction Editor.
If the reaction files are in the same project, open both files in one instance of the Reaction Editor. With both windows open but not maximised (so they can both be easily accessed), select the reaction to be copied with the left mouse, hold down and drag it into the other reaction file.
To copy a reaction from a reaction file in a different project, open the reaction files in different instances of the Reaction Editor. Select the reaction to be copied, right mouse click and select copy. Go to the other instance of Reaction Editor, right click on the reaction window of the desired reaction file and select paste.
Options
For every reaction file there is a Options tab. Click on the tab to access the Options tab. An example is shown below.
This tab allows the user to:
- enable sequences in this reaction file
- specify that the first reactant is always to be used for the extent for the reactions in this reaction file
- add any comments to the description box for this reaction file
If the sequences are enabled on the options tab then the Sequence number will be able to be specified on the Reactions tab for each reaction in this reaction file.
Any comments which were previously in a reaction file created without the Reaction Editor will be automatically moved to the description box. The date that the file was first saved using the Reaction Editor will automatically be noted in the description box as shown in the example above.
