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Manual for Kintecus V2021 Beta V2. New additions are highlighted in yellow.

This page is reserved for released Beta versions of Kintecus.

DOWNLOAD KINTECUS V2021 V2 CLICK HERE

Beta “Kintecus 2021” and What's Coming for “Kintecus 2021”:
 

  1.    For accurate chemical mechanism determination, rate constant fitting and regression the application of all methods listed in Stanbury and Hoffman's 2019 paper "Systematic Application of the Principle of Detailed Balancing to Complex Homogeneous Chemical Reaction Mechanisms" will be included in Kintecus. Apparently, it appears that given a valid chemical mechanism, such a mechanism might be invalid even though the chemical mechanism may make “chemical sense”. Kintecus will be able to perform this analysis completely and automatically within itself simply by adding the "-MECHV" switch on the Kintecus command line!
     

Currently available now in Beta Kintecus 2021 V2:

1)      The option of holding concentrations/temperatures/pressure constant between datasets for global regression runs. In earlier versions of Kintecus one could set initial conditions for each experimental dataset. These initial conditions could change during a global regression run.  One now has the option of holding this initial condition constant for each experimental dataset.  For example, if one was performing regression with many datasets with different initial conditions for each experiment (such as pH), one can now set pH values (or temperature or any other value) to different starting constant values for each run in the initial condition file and that value will not change. It is possible to have different constant initial values for each regressed experimental dataset.

2)      The NEW Jet Propulsion Laboratory multi-parameter fit to the Troe expression for atmospheric, gas, combustion chemistry. Please see section 2 in the JPL Evaluation #19, 2019 (http://jpldataeval.jpl.nasa.gov/download.html). For 2019, JPL has performed a complete revision on some of these fits.

3)      The amount of chemical families and families of species has been substantially upgraded. One can have many more families of species (such as ROH=[C2H5OH]+[C3H7OH]+[C4H9OH]+... ) and have many more terms for each one.

4)      A new “validate” feature. This feature will allow one to compare a single Kintecus run against an external synthetic/experimental dataset. This feature (invoked by adding
 the “-validate:<datafile name>” flag on the command line) will force Kintecus to exactly match all timings and conditions against this externally calculated or measured dataset and produce a comparable output with statistics on that fit. This is primarily for machine learning programs to compare their output against Kintecus’ output.

 


 

 

Questions or problems regarding this web site should be directed to jianni10[el atto]gmail.com .
Copyright 2020  James C. Ianni. All rights reserved. Kintecus is a registered trademark.