AKTS Advanced Thermokinetics Software

The main goal of AKTS-Thermokinetics Software Package is to facilitate kinetic analysis of DSC, DTA, TGA, EGA (TG-MS, TG-FTIR) data for the study of raw materials and products within the scope of research, development and quality assurance.

The technique provides a means to infer additional characteristics and behaviour of examined substances based on conventional thermoanalytical measurements. The method begins with the determination of the kinetic parameters for a given substance. These parameters are then used to predict reaction progress under various temperature ranges and conditions. By comparison, direct investigation of such reactions would be very difficult at low temperatures (requiring very long scanning times), as well as under complex temperature profiles. Using AKTS-Thermokinetics Software, the rate and the progress of the reactions can be predicted for the following temperature profiles: isothermal, non-isothermal, stepwise, modulated temperature or periodic temperature variations, rapid temperature increase (temperature shock) and real atmospheric temperature profiles (up to 7000 climates).

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AKTS Thermokinetics and Thermal Safety Software Package

AKTS-Thermal Safety Software enables the calculation of the Time to Maximum Rate under adiabatic conditions (TMRad). Finite Element Analysis (FEA) extends the application of calculating methods to analyze the thermal behavior under non-adiabatic conditions. FEA enables the determination of the impact that substance properties and container properties can have on the reaction progress. This analysis can then be used to determine critical design parameters such as the critical radius for a container, the necessary thickness of insulation, and the influence of the surrounding temperature on storage and transport safety. The method enables the prediction of the heat accumulation process and the reaction progress for any surrounding temperature profile (isothermal, stepwise, periodic temperature variations, temperature shock and real atmospheric temperature profiles). Key applications for AKTS method are found in the chemical, pharmaceutical and food industries, for self-reactive chemicals, explosives and thermal hazards for dangerous goods. Analysis and specific safety concepts produced for customers by AKTS-Thermal Safety Software are optimized for cost-effectiveness and apply state-of-the-art technology.

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SML Software Version 4

The version 4 of the program SML is a joint development of the Swiss Federal Office of Public Health (BAG) and the company Advanced Kinetics and Technology Solutions AG (AKTS AG).

The verification of compliance of food packaging by the application of recognised diffusion model was introduced recently in the European legislation [1].

SML is a simulation program. Using Finite Element Analysis (FEA) it can be used to predict the amount of a substance (additive, contaminant or residual monomer) that migrates from a plastic packaging material into the contained food during a given time. This program is firstly designed as a scientific tool for people active in food packaging: the material producer could check the compliance of a material with the SML (Specific Migration Limit) values (comparison of Qm with SML), the laboratory specialist could use the calculated concentrations to design the experimental conditions of a migration test. It also includes a non-exhaustive list of starting substances (monomers and additives) used in the fabrication of plastic material coming into contact with food.

SML-Software focuses on the simulation of release of additives from multilayer packaging both in extended temperature ranges and under temperature conditions at which ordinary investigation would be very difficult. These difficulties are prevalent when temperature fluctuates during the observation time. Complex surrounding temperature profiles can be considered such as stepwise, modulated, shock and additionally for real atmospheric temperature profiles (up to 7000 climates). The technique allows the simulation of complex packaging (different geometries and up to 10 multilayer films). By comparison, direct investigation of such diffusion processes would be very complex under these various possible conditions. Calculation of the diffusive process is based on Fick's law. It considers the Arrhenius equation and the last version of the Piringer model with refined Ap constant for the approximation of the diffusion coefficients [2,3]. Diffusion and concentration distribution inside all package layers can be computed for both migrant leaving and food components entering packaging.

[1] Commission directive 2002/72/EC, OJEC L220of 15.08.2002
[2] Piringer, O., Food Additives and Contaminants, 11 (1994) 221.
[3] Materials and articles in contact with foodstuffs - Plastics: Estimation of migration by generally recognized diffusion models in support of EU Directive 90/128/EEC (Migration modelling), CEN/TC194/SC1/WG4 N106, version 1, August 2001.

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Calisto Processing - Thermal Analysis Software

Calisto has been developed to offer advanced treatment of thermoanalytical data independent of its source. Installation takes only a few seconds, and as it does not write to the registry files can be completed rapidly without IT departmental overview.

This new software offers a comprehensive list of functions, and can treat any Thermal Analysis data and so can become the standard within your thermal lab.

These functions include the ability drag and drop experimental curves, or to import data from other manufacturers by reading ASCII files. When examining the data, Calisto features a unique treeview that allows for intuitive switching between multiple open graphs. Axis scrolling, panning or magnifying glass functionality and functions such as data trimming and unit transformation that can be achieved in the minimum number of clicks. The Slope Correction feature is part of the advanced baseline treatment which includes sigmoid, straight or spline. Single click calculations include, Tg (Glass Transition) Integration and Inverse filtering. Exporting data in formats such as ASCII or exporting curves directly into Word using multiple graphic formats is a single mouse click.

Complex data treatment such as Signal interpolation, Derivative, different types of Savitzky-Golay smoothing (between chosen ranges with special treatment for flat or peak zones), Peak separation with asymmetric Gaussian functions, Cp determination (continuous or step method with or without reference) are all possible in less three clicks or less.

Calisto Software can also import signal files from other devices (Mass spectrometers, FTIR, ...) and provide unique facilities for manipulating experiments (archiving / restore / deletion). In addition the software is fully FAD CFR21 Chapter 11 compliant with multiple user hierarchy and access to ensure data integrity.

The Calisto Processing software is intended to :

• Import signal files of any type of thermoanalytical data: DSC, nanoDSC, microDSC, C-80, DTA, TGA, TG-MS or TG-FTIR, HFC, TMA, etc. ;
• Import signal files from other devices (Mass spectrometers, FTIR, ...) ;
• Treat recorded signals ;
• Provide facilities for manipulating experiments (archiving / restore / deletion).

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