KEV: Constant Evaluator

TODO & Work in progress

• More curves and presets in Curve fitting
• Simulations
• Kinetic chemical problems

V.0.5.0

New in the math & data

• Equilibrium constants via calorimetry data
  • Inverse problem of the chemical equilibria theory
  • Calorimetry method added

V.0.4.1

Engineering release

• Code refactoring
• Multiple bugfixes

V.0.4.0

New in the math & data

• Interactive curve fitting
  • General spectral processing
  • Initial guesses for UV-Vis and IR spectroscopy
  • Precise and robust approaches using the different algorithms (gradient and gradient free ones)

New in the user interfaces

• Interactive curve fitting
  • Control the proccess via table input data or GUI mouse click interface

V.0.3.0

New in the math & data

• Equilibrium constants via NMR data (fast exchange)
  • Inverse problem of the chemical equilibria theory
  • NMR (fast exchange) method added

V.0.2.0

New in the math & data

• Equilibrium constants via UV-Vis spectrophotometry and potentiometry (E.M.F.) data
  • Inverse problem of the chemical equilibria theory
  • UV-Vis spectrophotometry and potentiometry methods
  • 2 or more constants could be tuned simultaneously (check the guide for details)
  • Statistical tests included (significance, sensitivity etc.)
• Equilibrium Concentrations: pC range calculation added

New in the user interfaces

• Diagnostic plots
• Sample data / examples

V.0.1.0

New in the math & data

• Equilibrium concentrations: direct problem
  • Direct problem of the chemical equilibria theory
  • Two interfaces: GUI web service and R scripts for experienced users
  • Reliable algorithm (Brinkley method + Newton solver), transparent implementation
  • Plain and simple input and output (CSV / Excel files only, without any obscure data formats)

New in the user interfaces

• R script bundle
• GUI web service