CHEMKIN Visualization Using KINEX

Authors

Helen Wright: School of Computer Studies, University of Leeds, Leeds LS2 9JT
helenw@scs.leeds.ac.uk
Jeremy Walton: NAG Ltd, Jordan Hill Road, Oxford OX2 8DR
E-mail
David Smith and Martin Brown: British Gas plc, Gas Research Centre, Loughborough LE11 3QU
dave.smith@bggrc.co.uk, martin.brown@bggrc.co.uk

Too often in the field of computational science the capacity to generate results outstrips our ability to assimilate them. Powerful supercomputers produce vast quantities of data which we cannot hope to fully understand without visualization. IRIS Explorer is a modular environment allowing easy production of visual results, using a point-and-click interface to choose and interact with diverse graphical methods. The KINEX project (KINetics into EXplorer) goes a stage further, however, bringing the computational process inside the visualization environment. The aim is to provide a `Chemist's Workbench', where powerful software to investigate reaction mechanisms combines seamlessly with the visualization of results. In this presentation we will describe work which demonstrates this concept and its application in a number of case studies. Examples will include a test implementation within the environment of the Senkin program distributed by Sandia National Laboratories, Livermore, California.

Species concentrations are calculated on-line and passed transparently to a plotting module. Interaction with the Senkin process is by means of dials and buttons in place of the usual keyword input.

Timeseries plots, tailored by the investigator before printing direct from IRIS Explorer.

Predicted NO levels for a CHP system at various operating temperatures and residence times

Postscript version of this poster

Last modified: Mon Apr 22 15:06:02 1996 [ Home : Support ]