Abstract
The uses of the ASTM computer program CHETAH were described. The recently released version 10 is capable of accomplishing five different kinds of calculations related to chemical thermodynamics. The program enables the prediction of chemical reactive hazards, heats of reaction for combustion and other types of reactions, and a variety of flammability parameters. It can accomplish these calculations making use of its large internal databases of thermochemical properties or by making use of predictive methods for chemicals for which properties have yet to be determined.
Issue Section:
Research Papers
References
1.
Seaton
, W. H.
, Freedman
, E.
, and Treweek
, D. N.
, CHETAH The ASTM Chemical Thermodynamic and Energy Release Potential Evaluation Program
, ASTM International
, West Conshohocken, PA
, 1974
.2.
Cardillo
, P.
and Nebuloni
, M.
, “Reactivity Limits of Aluminum and Halohydrocarbon Mixtures: Determination by the ASTM CHETAH Program
,” J. Loss Prev. Process Ind.
, Vol. 5
, No. 2
, 1991
, pp. 81
–88
. https://doi.org/10.1016/0950-4230(92)80004-R3.
Seaton
, W. H.
and Harrison
, B. K.
, “A New General Method for Estimation of Heats of Combustion for Hazard Evaluation
,” J. Loss Prev. Proc. Ind.
, Vol. 3
, No. 3
, 1990
, pp. 311
–320
. https://doi.org/10.1016/0950-4230(90)80025-64.
Britton
, L. G.
, “Using Heats of Oxidation to Evaluate Flammability Hazards
,” Process Safety Prog.
, Vol. 21
, No. 1
, 2002
, pp. 31
–54
. https://doi.org/10.1002/prs.6802101085.
Britton
, L. G.
and Harrison
, B. K.
, “Using CHETAH to Estimate Lower Flammable Limit, Minimum Ignition Energy, and Other Flammability Parameters
,” Process Safety Prog.
, Vol. 33
, No. 4
, 2014
, pp. 314
–328
. https://doi.org/10.1002/prs.117216.
Benson
, S. W.
, Thermochemical Kinetics, Methods for the Estimation of Thermochemical Data and Rate Parameters
, 2nd ed., Wiley
, New York
, 1976
.7.
Weininger
, D. J.
, “SMILES 1. Introduction and Encoding Rules
,” J. Chem. Inf. Comput. Sci.
, Vol. 28
, No. 1
, 1988
, pp. 31
–36
. https://doi.org/10.1021/ci00057a005
This content is only available via PDF.
All rights reserved. This material may not be reproduced or copied, in whole or part, in any printed, mechanical, electronic, film, or other distribution and storage media, without the written consent of ASTM International.
You do not currently have access to this content.