The Kintecus simulation software has been cited in many peer reviewed journals: J. Phys. Chem.A, PCCP, J. Biol. Chem., Plas. Chem. Plas. Proc., Int. J. Chem. React. Tech, Arch. Bio. Chem. Bio. Phys., THEOCHEM, etc. It is an Industrial Strength/Research Grade chemical modeling, chemical kinetics and equilibrium software for simulation of combustion, nuclear, biological, enzyme, atmospheric and many other processes via a graphical interface. Kintecus features the ability to quickly run Chemkin models. Multiple Chemkin/freestyle thermodynamic databases can be used. Isothermal/Non-isothermal, adiabatic constant volume, constant pressure (variable volume) can easily be modeled with a flick of a switch. Programmed volume (replicating engine piston motion), programmed temperature, programmed species concentration can all easily be included in your model WITHOUT C/FORTRAN programming. Heterogeneous chemistry is also easily modeled.

Kintecus has the ability to fit/optimize rate constants, initial concentrations, Lindemann/Troe/SRI/LT parameters, enhanced third body factors, initial temperature, residence time, energy of activation and many other parameters against your dataset(s). Note that Kintecus will actually fit the parameters at EXACTLY the time your data was measured with confidence bands/uncertainty analysis. Unlike other programs, Kintecus DOES NOT interpolate a function against your data and then fit the values against this interpolation. There is no need to clean your data, suggest interpolation methods nor specify timing meshes against your experimental data since Kintecus calculates values at exactly the times you specify in your experimental datafile .

Can also scan parameters and bootstrap standard errors as well as perform metabolic control analysis via eigenvector/eigenvalue analysis. Can also perform complex hierarchical cluster analysis on temporal concentration profiles with/without experimentally obtained temporal concentration profiles.

Main features:

The ability to convert Chemkin-II/Chemkin-III/Senkin models to Kintecus format. Kintecus can run almost any converted Chemkin model. Once converted, you may apply any Kintecus feature to the system. Do not be surprised to see the converted system run much faster! In addition, Kintecus can use multiple Chemkin thermodynamic databases at the same time and provides a way to use reserve species to a respective thermodynamic database. One can also convert the databases to a freeform format, which can be loaded into Excel or Lotus 1-2-3. The freeform database is much easier to maintain and update. In addition, the converted model is not limited to several elements, in fact, your model can contain the entire Periodic Table.

Comes with multiple thermodynamic databases containing thermodynamic data (G,E,H,S,Cp,K,Kp) on several thousand species over a wide temperature range (300K-6000K)!

Reactions, adiabatic or non-adiabatic (isothermal), can be performed under isochoric (constant volume) or isobaric (constant pressure) with a simple flick of a switch along with optional volume, temperature, concentration wave perturbations or set profiles.

The ability to model thousands and thousands of reactions in a relatively short time. Kintecus has been used with models as large as 120,000+ chemical reactions. You will not find anything faster than Kintecus.

A very thorough and easy to use Uncertainty Analysis (Monte Carlo sampling runs) to
calculate "real-life" averaged behaviors with confidence bands/standard deviations of your
chemical system given Gaussian/Poisson/Uniform deviations.

Fit/Optimize rate constants, initial concentrations, Lindemann/Troe/SRI/LT parameters, enhanced third body factors, initial temperature, residence time, energy of activation and many other parameters against your dataset(s). Note that Kintecus will actually fit the parameters at EXACTLY the time your data was measured. Unlike other programs, Kintecus DOES NOT interpolate a function against your data and then fit the values against this interpolation. There is absolutely no need to clean your data, suggest interpolation methods nor specify timing meshes against your experimental data since Kintecus calculates values at exactly the times you specify in your experimental datafile. Kintecus V3.8 and above can also perform accurate bootstrapping of errors.

Full output of global normalized sensitivity coefficients selectable at any specified time or times. Normalized sensitivity coefficients are used in accurate mechanism reduction, determining which reactions are the main sources and sinks (network analysis) and which also shows which reactions require accurate rate constants and which ones can have essentially guessed rate constants.

The ability to use profiles or perturbations of any wave pattern for any species, temperature, volume or hv. Using profiles/perturbations can also be used for studying very realistic systems, such as quenching affects, dissolution of various gases into a system over time, induction of current into a system, heat flow into a system, a piston compressing the reaction chamber and so on.