Reactor Models

The CHEMKIN Reactor Models are targeted toward simulation of specific geometries or idealized flow conditions. The Applications described below serve as starting points for describing a diverse range of reacting flow problems. The Applications can be used alone or to build a series of reactors that represent a more complex system.

CHEMKIN includes a large choice of Reactor Models that address industry-specific reacting-flow conditions. A graphical User Interface facilitates problem set-up by guiding user inputs and allowing visual construction of reactor-network diagrams for modeling complex systems. A graphical Post-processor provides quick visualization of results, as well as the ability to easily export data for use in 3rd-party analysis tools. In addition, users can access a set of Core Utilities that comprise the CHEMKIN Application Programming Interface (CHEMKIN/API), which facilitates construction of custom, CHEMKIN applications through C/C++ or Fortran programming. In this way, CHEMKIN provides a broad capability that addresses needs of both non-expert and expert users.

CHEMKIN Reactor Models are collected in bundled suites that align with the needs of specific industries. A summary of the suites for CHEMKIN is given below, along with a brief description of each of the Reactor Model components. All packages contain the CHEMKIN/API Core Utility Set and some combination of CHEMKIN Reactor Models.

Each package comes with the Parameter Study Module™ which allows you to investigate a range of chemistry-set parameters as well as reactor or operating-condition parameters. You can run all possible combinations of multiple varying parameters or a matrix of runs where more than one parameter varies for each run. CHEMKIN uses the new Solution Harvester to automatically extract data from each of the runs to allow building of 2-D or 3D contour plots in the Graphical Post-processor.

Newly available is the optional Particle Tracking Module™, which tracks particle growth and size distributions, such as the growth of soot particles in a combustor. This capability can be utilized for processes such as optimizing production of carbon black, minimizing production of undesired soot, or controlling the size of nanoparticles created in materials processing.It is available for use with Closed Homogeneous Reactors, PSRs, PFRs, and Shear-Flow Reactors.