Single Reactor Scheme Windows

You construct, modify and operate on Kinetiscope's reaction schemes using scheme windows. Each scheme window includes a Scheme Page tailored for its particular type of reaction scheme.

A single reactor scheme window looks like this:

This page contains a list of reaction steps that have been previously defined for this reaction scheme. The list includes information about kinetic parameters for each reaction step. Above the list is a tool bar with a row of push buttons that allow you to add, remove and edit reaction steps, start a simulation of the reaction scheme, or create a new results window, a separate window that displays the output of the last simulation.

A single click of the right mouse button over the scheme display area displays a context menu listing more available actions.

The current state of the reaction scheme is indicated by the status bar along the bottom of the window.

Creating a Single Reactor Reaction Scheme

To create a new single reactor scheme:

Select File | New Scheme | Single Reactor Model... from the menu bar of Kinetiscope's main window,

or

Click the (create stirred reactor scheme) push button on the main window's tool bar.
A Select Units Dialog appears.
Use the drop-down list boxes on the Select Units Dialog to choose the units you wish to use.
Click the OK push button on the Select Units Dialog.

A new, empty single reactor scheme window is added to Kinetiscope's main window..

You now use the tool bar and context menus to construct and configure the reaction scheme.

Using the Tool Bar

Generally, to use the tool bar, you first select one of the reaction steps from the list in the scheme display area with a single-click with the left mouse button, then click the desired push button on the tool bar.

The push buttons and their functions are as follows:

Add a new step.

Clicking this push button adds a new, empty reaction step to the list and opens the Reaction Step Editor Dialog where you may enter the new reaction equation and specify the kinetic parameters. The new reaction step is inserted in the list immediately after the currently selected step.

Delete the selected step.

Clicking this push button removes the currently selected reaction step from the reaction scheme and discards it.

Edit the selected step.

Clicking this push button opens the Reaction Step Editor Dialog , allowing you to modify the reaction equation and kinetic parameters of the currently selected reaction step. A double-click with the left mouse button over a line is equivalent to clicking this button.

Copy the selected step.

When this push button is clicked, a copy of the currently selected reaction step is placed on Kinetiscope's internal clipboard. That copy may be pasted into this reaction scheme, or into another reaction scheme that is loaded into memory.

Cut the selected step.

This action deletes the selected step from the reaction scheme and places it on Kinetiscope's clipboard. It may be pasted into this reaction scheme, or into another reaction scheme that is loaded into memory.

Paste a step.

When clicked, a copy of the reaction step on the clipboard is added to the reaction scheme immediately after the selected step.

This push button is only enabled when a reaction step is on the clipboard from a previous Cut/Copy action.

Create a new simulation results window.

Clicking this button adds a new results window to the main window's workspace. Initially, it displays a plot of the concentrations of all species as a function of elapsed time. You may then modify the view in a number of ways.

This push button is only enabled when a simulation has been successfully run and simulation results are available.

Start a simulation.

When this push button is clicked, Kinetiscope performs internal tests of the reaction scheme to ensure that the simulation will start successfully. If the tests are successful, a simulator window opens and Kinetiscope begins the calculation. The scheme window is minimized and locked to prevent editing during the simulation, but you may continue to work with other reaction schemes while simulations are in progress.

If the reaction scheme fails one of the pre-simulation tests, a message box appears to notify the user of the issue.

The Context Menu

This menu can initiate the actions listed here.

The first six entries provide an alternate means of triggering the functions already assigned to the tool bar push buttons. The remaining four actions are

Copy as a Compartment

When this menu item is selected, all reaction steps and species concentrations are copied to Kinetiscope's internal clipboard. This clipboard item may then be pasted as a Compartment into a compartmental reaction scheme or a three-dimensional reaction scheme. The clipboard item can even be pasted into a new single reactor scheme.

This provides a simple means for transferring a previously developed reaction scheme among Kinetiscope's different models.

If this scheme and the receiving reaction scheme are both set to variable volume conditions, then the molar densities of the species also are copied to receiving reaction scheme.

Paste from a Compartment

When this menu item is selected,all steps in the current reaction scheme are replaced with those contained in the compartment currently on Kinetiscope's internal clipboard. This provides a simple means for transferring a previously developed reaction scheme between Kinetiscope's different models.

View Text Listing of Reaction Scheme...

This menu item opens a Show Text Listing Dialog that displays a complete summary of all details of the reaction scheme.