Modeling software to simulate the chemical kinetics and equilibrium of combustion, nuclear, catalyst reactor (CSTR) and enzyme reactions. Software can also fit / regress any entered parameters against chemical data and perform sensitivity analysis.
Version: 6.80As of January 2018, the Kintecus simulation software has been cited over 300 peer reviewed high impact factor journals: SCIENCE, JACS, PNAS, J. Phys. Chem.A, NATURE, PCCP, J. Biol. Chem., Plas. Chem.
License: Free To Try $645.00
Operating System: Windows
Plas. Proc., Int. J. Chem.
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.
Version 6.80: The ultra-accurate standard error calculation of fits known as bootstrapping now supports Global/local regression datasets for both global and local variable regressions with/without equation constraints with/without multiple datasets with/without uneven time steps/unlimited data points and more!
Version 5.75: Support for most of the special IUPAC chemical kinetics forms from the Master Chemical Mechanism (MCM) See iupac.pole-ether.fr Chebyshev expansions proposed for representing pressure fall off and temperature dependent rates of multiple well reactions.Reaction rates that involve families of species.
Version 5.50: Enhacements and bug fixes