products.

ReactLab™

Multivariate Analysis and Reaction Modeling of Chemical Processes

The ReactLab family of products currently comprise two software applications for the modeling and analysis of multivariate spectrophotometric chemical process data. These Windows® applications enable the global fitting of such data to chemical reaction schemes in order to establish and quantitatively analyse the underlying reaction mechanism yielding all the reaction rate constants and equilibrium constants as well as the concentration profiles and spectra of all intermediate species.

Try ReactLab™ analysis tools on your data! Download the latest versions of the full applications below for a free trial period. When your evaluation is complete simply purchase a license to permanently activate the program.

Click here to download a ReactLab™ product brochure (PDF).

For detailed pricing and purchasing information please click here.

Key features of the applications are:

• Global analysis of multivariate spectrophotometric data to determine underlying reaction mechanisms together with all reaction parameters and intermediate spectra. Compatible measurements include UV-Vis, IR, Raman, NMR, ESR and CD.
• A compiled Matlab analysis kernel and graphical GUI which is extremely robust and easily maintained.
• A versatile Excel based data and modeling interface providing a familiar application environment and enabling the use of Excel tools and graphics to explore experimental data and analysis results.
• Reaction modelling and simulation of theoretical reaction schemes for testing model resolvability and general educational experimentation.
• A unique reaction scheme interpreter allowing simple entry of symbolic reaction mechanisms with support for symbols or full species names with stoicheometry coefficients.
• Proprietary reaction modelling algorithms enabling the fitting of both rate constants and rapid equilibrium constants in the same model.
• Support for both automated titration and manually prepared equilibrium sample measurements.
• Modelling of buffer reactions or pH variations can be included.
• A unique auxiliary parameter feature allowing the inclusion and optimisation of unusual parameters or parameter relationships to the fit.
• Support for known spectra
• Singular Value decomposition and Evolving Factor Analysis for preliminary model free analysis of the data.

Further details of these products are available on request. Please contact us for further information.

Further important ReactLab™ global analysis products and derivatives are in development. Please watch the website for news.