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ReactionKineticsLive
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Real-time simulations
ReactionKineticsLive utilizes a highly optimized simulation engine that allows you to calculate and display reaction kinetics in real time for many typical reaction systems. This means that if you change a rate constant or initial concentration, the effect can be seen in the kinetics instantly (assuming a 1 GHz processor).
Intuitive visual interface
The reaction system can be defined using visual objects. Double-click to add a substance. Create a first-order chemical reaction by simply connecting two substances using the mouse. Add further reactions or substances to define your reaction system.
Complex reaction systems can be set up in the same easy way:
All parameters (rate constants, initial concentrations, reactant orders, etc.) can be modified directly in the reaction scheme. Reactions can be deactivated and reactivated,
substances can be switched to constant concentration mode with only a few clicks.
Synchronized views
As you visually modify the reaction scheme or change a parameter (e.g. reaction order), you can see the rate equations (i.e. rate laws) changing and the reaction kinetics transforming. So you have three synchronized views: the reaction scheme, the equations and the reaction kinetics:
reaction system view
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equations view
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reaction kinetics view
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Continuous parameter exploration
Reaction system and simulation parameters can be modified both numerically and continuously with the mouse.
When you click on a parameter a window opens where you can enter a value
or change the parameter continuously by moving the mouse over the on-screen touchpad:
Continuous parameter editing combined with real-time response enables unique insight into chemical kinetics,
i.e. various parameter dependencies. For instance, continuously change the rate constant of a reaction,
and see the chemical kinetics reshaping in real time.
Experimenting with parameters (e.g. finding the
oscillation conditions for an oscillating reaction system) are best realized with this feature.
Additionally, continuous editing can be very impressive in presentations, too: it makes the reaction mechanism
come alive!
Animation mode
Choose any reaction system parameter, set the speed, range and type of motion and click Play. The program will display the variation in the reaction kinetics as the parameter changes with time.
This feature is best suited for presentations: the animation plays smoothly in the background
while the speaker talks.
Kinetics view: one-click speed
Take advantage of the convenient kinetics viewer: The auto-zooming data window ensures that
concentrations always remain visible while you are modifying the reaction system or the
simulation options. Of course, a fixed data window with manually adjustable axis limits can also be used. Both axes can be switched to linear or logarithmic mode with only one click.
Any of the substance concentrations can be set as the x axis (also with one click). Now, all the other concentrations can be seen simultaneously on the y axis. This multiple phase diagram is very useful for certain types of reaction systems (e.g. oscillating mechanisms). Use "time stripes" to color code time onto the curves: gradients represent the flow of time, the stripes correspond to equal periods in the simulation time course.
Of course, everything changes dynamically as you modify any reaction system parameter or if you are in
parameter animation mode.
Additional features
Reaction switches
Any reaction can be activated or deactivated at arbitrary points in the simulation time course. This enables
more specialized modeling, for example, the effect of chemical jumps or photoreactions.
Weighted observation
Define a linear combination (i.e. weighted sum) of the substance concentrations and display
the kinetics of this quantity or its derivative function. Use this feature to monitor reaction rates or the sum of certain substance concentrations. A more specific application example: model absorption kinetic measurements by specifying the weights in the linear combination as the extinction coefficients.
Factory presets
The program comes with several examples of reaction mechanisms having educational value and scientific significance (e.g. Michaelis-Menten mechanisms, inhibitors, activators, oscillating systems, etc.).
Multi-level undo, redo and history
Don't worry about accidentally deleting substances, reactions or forgetting parameter values. ReactionKineticsLive offers total recall of the whole workspace. In the history window you can go back to earlier states anytime. This is also great for comparing different versions of the reaction system with only one click.
 Highlights
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