Skip to main content

Chemical Kinetics Simulation

Overview

The chemical kinetics simulation project, originated at IBM's Almaden Research Center in San Jose, California, is a multi-faceted effort aimed at understanding, predicting and controlling chemical reactions used in processing of inorganic and polymeric thin films. Modelling and experiment are intertwined to develop new insights to the behavior of these materials under a wide range of conditions, and to use these insights to enhance discovery as well as applications. We are involved in the development of both simulation algorithms and experimental probes.

One of our codes - the Chemical Kinetics Simulator program, CKS for short - is available for downloading. It is a scientific software tool developed by chemists in the kinetics simulation project that provides the bench scientist with an easy-to-use, rapid, interactive method for the accurate simulation of chemical reactions. The package includes extensive documentation and is available in versions for OS/2 2.x and higher, Apple Macintosh and Power Macintosh, and Microsoft Windows 3.1/Windows 95/Windows NT.

Simulations are an environmentally responsible component of research and development programs. Realistic, reliable chemical models allow scientists and engineers to minimize the amount of physical experimentation used for a study, and avoid unnecessary generation of hazardous waste - CKS is particularly useful for this purpose.

Chemical Kinetics Simulator v1.01

Awards for CKS -

  • 1998 IBM Corporate Environmental Affairs Excellence Award
  • 1999 American Institute of Chemical Engineers NorCal Section Award for Chemical Engineering Excellence for Research Project of the Year