AKTS-Calisto

AKTS-Calisto Software
Download AKTS-Thermokinetics Demo/Viewer

Download AKTS-Calisto Demo/Viewer
Version 1.43 | *.zip | 31.58 MB

(Note: Simply download the above *.zip file and doubleclick on it. Username : admin, Password : admin)

A brief description

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).

       

Calisto Processing - Thermal Analaysis Software

  • Calisto is a NEW software developed for the elaboration of thermoanalytical signals obtained e.g. from DSC, TGA or Calorimetry.
  • Calisto is designed for the advanced treatment of any Thermoanalytical Data independent of the instrument type and manufacturer.
  • This new software offers a comprehensive list of numerical methods. They have been optimized to be as automated as possible, therefore the data interpretation can be completed in a few clicks by even the most inexperienced operators.
  • Installation takes only a few seconds, and as it is not written into the registry files, it can be completed rapidly without IT overview.

Highlights

Interface and Data Presentation

Calisto offers a powerful graphical user interface that is ergonomically designed with all the tools required being instantly accessible. Switching between open curves requires only one click, all necessary key buttons are located in the tool bar. These buttons are clearly labelled and identifiable.

Calisto Advanced DSC Treatment

Calisto offers the operator a unique level of power and flexibility to present the data with the maximum impact, including the following features :

  • Selection of Colors: Calisto offers coloring, shading and transparency, also the ability to select the patterns ;
  • Overlaping data: multiple curves can be displayed with the same, or different axis, with chosen specific colors and patterns ;
  • Data labelling: marking each curve, or highlighting a specific area with customized labels and text. The data in each label can be automatically generated in standard report formats.

Baseline Selection / Subtraction

The correct baseline selection is one of the most critical parts of data treatment and Calisto offers a new standard in the baseline determination and treatment. Standard baseline treatments are also accessible, but the software offers the more precise options for the treatment of the data.

  • Baseline Flattening: sloping baselines due to Cp changes and other effects can be flattened ;
  • Baselines selection: can be done automatically and optimized visually using the zoom functionality.
Calisto Baseline Construction

Peak Deconvolution / Separation

Calisto offers a unique peak separation procedure that allows for the interpretation of overlapped processes and characterization of the individual thermal events.

Calisto Peak Separation / Deconvolution

Data Import / Export

The Calisto Processing software is intended to :

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

Calisto offers the most easy-to-use and powerful data export tool

  • for graphical data (png, gif, bmp, jpg, emf…)
  • for raw and calculated points (xls, ascii, html, xml,…)
Calisto Data Exportation Tool

Cp determination

Calisto offers two powerful Cp calculations subroutines for the determination of heat capacity. These methods have been optimized to be as automated as possible, therefore the data interpretation can be completed in a few clicks by even the most inexperienced operators.

Calisto Thermal Analysis Cp Continuous

 

Calisto Thermal Analysis Cp Step

Possibilities of analysis offered


Abbreviations:        
TA: AKTS-Thermal Analysis (Calisto Software)        
TK: AKTS-Thermokinetics Software        
TS: AKTS-Thermal Safety Software        
RC: AKTS-Reaction Calorimetry Software TA TK TS RC
  Possibilities of analysis offered
Temperature modes allowed        
isothermal yes yes yes yes
non-isothermal linear, non-linear, arbitrary heating or cooling rates yes yes yes yes
isoperibolic (various constant oven temperatures) yes yes yes yes
Evaluation of the data collected by the following thermoanalytical techniques at conventional and/or specific conditions:        
Differential Scanning Calorimetry (DSC) yes yes yes yes
Differential Thermal Analysis (DTA) yes yes yes yes
Simultaneous Thermogravimetry & Differential Scanning Calorimetry / Differential Thermal Analysis yes yes yes yes
Pressure monitoring / Gas generation: P and dP/dt yes yes yes yes
TG (m(t)) and DTG (dm/dt) yes yes yes yes
Hyphenated Techniques: TG-EGA (MS or FTIR) yes yes yes yes
Dilatometry / Mechanical Analysis: TMA, DMA yes yes yes yes
Non Destructive Assay: NDA for e.g. Nuclear Waste Characterization (e.g.Setaram LVC-3013) yes yes yes yes
Gas Humidity Monitoring (e.g. Setaram Wetsys) yes yes yes yes
Microcalorimetry (e.g.TA Instruments TAM, Setaram C80, MicroSC and many others) yes yes yes yes
Reaction Calorimetry (e.g. Mettler RC1, Setaram DRC, HEL Simular, ChemiSens CPA 102, 202 and many others) yes yes yes yes
Thermal Conductivity of liquids and solids (e.g. C-Therm TCI) yes yes yes yes
Adiabatic Data (THT ARC, Fauske VSP, Omnical DARC and many others) yes yes yes yes
Additional Thermal hazard data: Radex, Sedex, Sipcon (Grewer, Ltolf, Miniautoclave, Hot storage test), CO-Monitoring and A16-Test, Deflagration-Test yes yes yes yes
Data collected discontinuously by e.g. HPLC with only few points for each temperature yes yes yes yes
Simultaneously collected data from the same or different instruments and units as e.g. yes yes yes yes
Heat flow DSC (W) and reaction calorimetry data of RC1 (W) yes yes yes yes
Heat flow DSC (W) and mass loss TG (mg) yes yes yes yes
Heat flow DSC (W) and temperature T(C) and pressure P(bar) in adiabatic conditions (e.g. ARC) yes yes yes yes
Features offered        
Subtraction of experimental base line (blank) yes yes yes yes
Reconstruction of the "under peak" base line (BL) for reaction rate data e.g DSC, DTA, DTG, etc. yes yes yes yes
Baseline types considered: Sigmoid, Tangential Sigmoid, Linear, Horizontal First Point, Horizontal Last Point, Horizontal, Staged, Spline & Polynomial with variable order, Tangential First Point, Tangential Last Point yes yes yes yes
Possible adjustments of temperature onset and offset yes yes yes yes
Baseline Subtraction with or without normalization (setting the integration value of the signal to one) yes yes yes yes
Smoothing data (allows the user to smooth partially or entirely a curve. Methods: Savitzky & Golay or Gaussian) yes yes yes yes
Custom Interpolation and Spikes Correction (designed to interpolate a portion of the signal to remove the bad or noisy data points). Interpolation modes: Straight line, Horizontal, tangential first or last points, Spline or Polynomial with variable orders yes yes yes yes
Dragging Data Points (for moving a data point in order to manually smooth the noisy part of the signal) yes yes yes yes
Removing Vertical Displacement (Signal Step) (allows the user to bring the zone of displacement to the same level as the left limit point) yes yes yes yes
Cutting externals, separate points, internal fragments (allows the user to cut a part of a signal which is not required) yes yes yes yes
Building complementary responses (integral from derivative and vice versa) yes yes yes yes
Derivation with adjustable "Derivative Filter" (the derivative of a curve at a certain point is the slope of the tangent to the curve at that point) yes yes yes yes
Integration (generates the integrated curve of a subtracted or normalized subtracted signal) yes yes yes yes
Viewing data in form of over-all conversion α(t) or dα(t)/dt yes yes yes yes
Viewing data in original form (Q(t), dQ/dt, m(t), dm/dt) raw mass or heat data considered instead of reaction extent α yes yes yes yes
Deconvolution and/or Temperature Adjustment by Inverse Filtering of DSC, heat flux or any type of thermoanalytical data (allows the user to consider the time constant of the temperature sensor in order to reconstruct the real response of the sample on the temperature change) yes yes yes yes
Automatic unit management by changing axis units: from e.g. W to mW, mW, Cal/s, mCal/s, mCal/s (and/or normalization: e.g. W/g, W/mol, etc.) yes yes yes yes
Customizable axis unit menu with any signals of user defined units: e.g. count/g, mg/ml, etc. yes yes yes yes
Automatic unit management by signal derivative and/or integral: e.g. J, W or K, K/s or K/min, etc. yes yes yes yes
Peak separation based on the application of Gaussian and/or Fraser-Suzuki (asymmetric) types signals (Position; Amplitude; Half-width; Asymmetry) yes yes yes yes
Thinning out data (reducing number of points without loss of information) yes yes yes yes
Statistical analysis of results of parallel runs via Customizing Equation (allows the user to apply a mathematical formula to one or more signals) yes yes yes yes
Heat capacity determination via two methods: Continuous Cp or Cp by Step (Both methods with or without reference) yes yes yes yes
Phase transition parameters determination yes yes yes yes
Glass transition (Tg) determination according to IUPAC procedure yes yes yes yes
Thermal conductivity determination of both solids and liquids yes yes yes yes
Converting to Natural Logarithm (especially useful when addressing the exponential Heat Flow signals obtained during isothermal studies) yes yes yes yes
Crystallinity evaluation of semi-crystalline materials yes yes yes yes
Oxidation Induction Time calculation based on the ISO 11357-6 norm yes yes yes yes
Purity determination calculated with Van`t Hoff equation yes yes yes yes
Setting Signal to Zero (allows the user to set to zero on the Y-axis the value of a selected point of a signal) yes yes yes yes
Slope Correction (adjusting the slope of a signal to remove its drift for a better presentation) yes yes yes yes
Temperature Correction (allows calibration of the apparatus to adjust the measured and the real temperatures of the sample) yes yes yes yes
Temperature Segmentation (generates from an experimental temperature curve a new temperature profile built up from an arbitrarily chosen number (between 1 and 2000) of segments) yes yes yes yes
TMA-True and Average Alpha and TMA Correction yes yes yes yes
Data Loading (Importing data in the form of ASCII files from files created by any type of apparatus via general interface yes yes yes yes
User Rights Management (Controls access to the software's features. The administrator can create the list of the users and decide about their rights) yes yes yes yes
Managing the Connection to the Database in which the data are stored in "ressource.adb" file yes yes yes yes
Deletion Management (allows to definitively remove zones and experiments (single or series) stored in the database) yes yes yes yes
Customizing Menus (to change the visible icons shown on the toolbars) yes yes yes yes
Copying Signals, Moving Axes, Merging Axes, Scrolling, Zooming, Magnifying Glass Option, Autoscaling, Cursor Tool, . yes yes yes yes
Chart Size Adjustment, Selecting Default Temperature, Merging Multiple Signals yes yes yes yes
Drag-and-drop a signal (from treeview to chart (and vice versa), from chart to chart, from treeview to treeview) yes yes yes yes
Saving and Loading Macros (recorded actions performed by the user to be applied again quickly) yes yes yes yes
Exporting Chart (available formats: *.png, *.gif, *.bmp, *.jpg, *.emf, automated exportation to MSWord) yes yes yes yes
Exporting Points (with or without interpolation, *.txt and *.csv, Excel *.xls) yes yes yes yes
Customizing Chart: Background, Border and Margins, Legend, Titles, Themes, Axes, Series, Adding and Customizing Notes and Images, etc. yes yes yes yes
Supported languages and translation for all Calisto features: English, French, Chinese yes yes yes yes
Types of kinetic analyses supported        
Isoconversional (model-free) kinetic analysis   yes yes yes
Custom arbitrary chosen formal kinetic models and reaction rates introduced manually   yes yes yes
e.g. da/dt =1e9 * exp(-100000/8.314/(T+273.15)) * (1-a)^1 + 1e10 * exp(-100000/8.314/(T+273.15)) * (1-a)^2*a^0.5   yes yes yes
Formal one- or multi-stage model-based kinetic analysis for discontinuously collected data   yes yes yes
Formal one- or multi-stage and concentration model-based kinetic analysis       yes
Data types and their combinations used for kinetic evaluation        
Discontinuous data composed from only few points (sparse data points, e.g. GC, HPLC data collected e.g. at three temperatures only)   yes yes yes
Continuous data:   yes yes yes
Tr-controlled data   yes yes yes
heat flow (e.g. DSC)   yes yes yes
pressure P (dP/dt) data   yes yes yes
mass loss and its rate (TG, DTG)   yes yes yes
all other thermoanalytical data collected continuously such as TG-EGA, TMA, etc.   yes yes yes
all microcalorimetric data such as TAM, C80, etc.   yes yes yes
non-isothermal - set of runs at various heating rates   yes yes yes
isothermal - set of runs at various temperatures   yes yes yes
set of runs at various heating rates and temperatures (combination of non-isothermal and isothermal data)   yes yes yes
Adiabatic data (e.g. THT ARC, Fauske VSP, Omnical DARC)     yes yes
Tj-controlled data (isoperibolic) and cascade controlled (PID controller) data of reaction Calorimetry (both batch or semi-batch) (e.g.: Mettler RC1, Setaram DRC, HEL Simular, ChemiSens CPA 102, 202 and many others)       yes
Combination of Tr-controlled data of different types (e.g. DSC and TG data)   yes yes yes
Combination of Adiabatic and Tr-controlled data (e.g. ARC and DSC for calculation of the kinetic parameters) for determination of safety hazard indicators (e.g. TMRad24, SADT)     yes yes
Combination of Tr- and Tj-controlled data for thermal safety and process optimization purpose (e.g. DSC and Mettler RC1)       yes
Methods for estimation of the kinetic parameters        
Arrhenius-type dependence of the reaction rate on temperature   yes yes yes
Linear optimization suitable for single stage models   yes yes yes
Non-linear optimization; applicable to data collected discontinously (sparse data points)   yes yes yes
Model ranking (Akaike's Information Criterion (AIC), Bayesian Information Criterion (BIC) and weighted scores (w)) for comparing and discriminating best kinetic models based on information theory   yes yes yes
Non-linear optimization method; applicable to complex multi stage models       yes
Simulation of thermal behavior in mg, kg and ton scales        
Temperature profiles applicable for thermal behavior predictions        
Isothermal   yes yes yes
Non-isothermal   yes yes yes
Stepwise   yes yes yes
Modulated temperature or periodic temperature variations   yes yes yes
Rapid temperature increase (temperature shock)   yes yes yes
Real atmospheric temperature profiles for investigating properties (50 climates by default with yearly temperature profiles with daily minimal and maximal fluctuations)   yes yes yes
Customized temperature and humidity profiles: possibility to compare the reaction progress of substances at any temperature and relative humidity (useful in combination with datalogger)   yes yes yes
NATO norm STANAG 2895 temperature profile: Zones A1, A2, A3, B1, B2, B3, C0, C1, C2, C3, C4, M1, M2, M3   yes yes yes
Specific features        
Extended option for High Sensitivity Isothermal Heat Flow Microcalorimetry (e.g. TAM data of propellants, surveillance of ammunitions, quality control) allowing to calculate the kinetic parameters from long term isothermal data for very precise lifetime prediction applying data collected during the first percent of degradation   yes yes yes
Sample Controlled Thermal Analysis: possibility to optimize temperature program in such a way that it allows obtaining the value of the constant reaction rate set by the user (allows creating temperature profiles for achieving e.g. TGA-curves with constant mass loss rates or DSC-curves with rate controlled heat release (or consumption))   yes yes yes
Combination of Tr-controlled data e.g. TG & DSC/DTA & MS data in multi-projects for simultaneous comparison of mass loss, heat flow and volatiles species evolution   yes yes yes
Bootstrap method for evaluation of prediction band (e.g. 95, 97.5 or 99 % confidence intervals), particularly important for long-term predictions (e.g. stabilizers in propellants, vaccines, etc.)   yes yes yes
Heat Accumulation, Thermal Runaway and Explosion     yes yes
Simulation of transient heat conduction systems such as thermal explosion in solids (this analysis considers the variation of temperature with time and position in one- and multidimensional systems)     yes yes
Simulation of lumped systems such as thermal explosion in low viscous liquids (this analysis considers that the temperature of a body varies with time but remains uniform throughout at any time)     yes yes
Influence of packaging geometry, material properties and insulations in simulation of the storage of dangerous materials     yes yes
Infinite slab     yes yes
Infinite axis-symmetrical cylinder     yes yes
Limited cylinder with given H/D ratio (H:height, D:diameter) and flat lids (e.g. drums, containers,etc.)     yes yes
Sphere (application of volume equivalent sphere radius and surface-to-volume ratio S/V, useful for the characterization of any package regardless its specific shape and size)     yes yes
Comparative thermal explosion analysis (e.g. cylinder with given H/D ratio vs sphere with equivalent surface-to-volume ratio S/V)     yes yes
Others geometries (after exportation of the kinetic parameters into codes like Abaqus, Ansys dedicated for the more complex geometries)     yes yes
Inert shell and partitions, multilayer packaging materials (different layers of insulation with different thicknesses)     yes yes
Different properties for separate part of an object     yes yes
Possibility of considering temperature dependence of physical properties     yes yes
Export of material data properties from database (with possible customization of the material property list)     yes yes
Heat sources in an object     yes yes
Possibility of application of specific kinetic parameters for separate parts of an object     yes yes
Heat-generated by a reaction and or non-reactive heat sources     yes yes
Time-dependent boundary conditions:     yes yes
1st kind - Prescribed temperature at the surface (Dirichlet condition)     yes yes
2nd kind - Heat flux at the surface (Neumann condition)     yes yes
3rd kind - Heat transfer at the surface (Newton law, convective heat transfer, mixed boundary conditions)     yes yes
Determination of hazard indicators     yes yes
Time to Maximum Rate under adiabatic conditions (TMRad) for any chosen starting temperature     yes yes
Safety diagram: runaway time as a function of process temperature under adiabatic conditions (TMRad = f(T))     yes yes
Automatic determination of the starting temperatures corresponding to TMRad of 7 days, 24h, 8h and 4h     yes yes
Self heat rate curves dT/dt, dQ/dt and dalpha/dt (dP/dt possible in combination with e.g. ARC data for pressure/gas generation and ventsizing calculations)     yes yes
Influence of the different Phi factors (Phi=1 and Phi>1) on the TMRad and on dT/dt, dQ/dt, dalpha/dt and dP/dt     yes yes
Total energy release under adiabatic conditions     yes yes
Total pressure release under adiabatic conditions (possible in combination with e.g. ARC data)     yes yes
Temperature corresponding to ARC detection limit such as 0.02 K/min for any Phi factors     yes yes
Automatic determination of the Self-Accelerating Decomposition Temperature (SADT) according to the recommendations of Manual of Tests and Criteria of the United Nations on the transport of dangerous goods     yes yes
Automatic determination of the critical hot discharge temperature 'Tin' in e.g. a container or critical surrounding temperature 'Tout'     yes yes
Automatic determination of the critical radius 'r' of e.g. a container and the critical thickness 'd' of an insulation layer of such a container     yes yes
Determination of the relationship between the input factor Xi (thermal conductivity, density and specific heat) and the output Y (time to thermal explosion) for identifying the physical property of a material (chemical or packaging layer) which will mostly influence the time to thermal explosion     yes yes
Setting of time steps, spatial mesh and numerical precision and computation speed     yes yes
Variable adaptive time step     yes yes
Uniform and Non-uniform spatial mesh     yes yes
Second order accuracy in both space and time and numerical stability even for large time steps (to ensure high precision and decreases by orders of magnitudes the calculation time)     yes yes
Display of results     yes yes
Evolution of the temperature profile T(t) and reaction progress a(t) in the cross-section or in a selected point of an object     yes yes
Temperature and conversion distribution on isolines (2-D) and/or 3-D graphs     yes yes
Animated isolines (2-D) and/or 3-D views of both temperature and reaction progress distribution     yes yes
Chemical reactors considered       yes
Batch       yes
Semi-Batch       yes
Continuous Stirred Tank Reactor (CSTR)       yes
Plug-Flow (PFR)       yes
Cascade of reactors including       yes
Stream (continuous or discontinuous with or without dosing conditions for optimization of feed rate dosing profile)       yes
Mixing       yes
Splitting       yes
Heating       yes
Temperature modes       yes
Adiabatic       yes
Tr-control       yes
Tj-control (isoperibolic)       yes
Cascade control (PID controller)       yes
Customizable temperature profiles (isothermal, non-isothermal, stepwise, own profile, etc.)       yes
Process Flow Diagram (PFD) modules for an easy saving of various reactor types       yes
Process optimization (e.g. adjustment of the best feed or temperature profiles for maximum yield and selectivity)       yes
Specific process control (process parameters (e.g. feed or temperature) can be constraint to remain below or above some critical values at all time during the reaction for achieving inherent safety process)       yes
   
Calisto Help Files and Videos
Main Features
AKTS-Calisto Upgrade Guide