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From Tue Jun 10 16:55 EDT 1997
Subject: 97.07.22 Symposium on Halon Replacements
From: "Rajiv J. Berry MLBT CON" <>
Content-Type: text

The Center for Computational Modeling of Nonstructural Materials at
Wright-Patterson Air Force Base, Dayton, Ohio will host the Third
Symposium on Halon Replacements: Kinetic Modeling of Flame Suppression
on 22-24 July 1997.  The papers will focus on computation-based work on
the kinetics of halon and halon alternatives, with experimental work
included as necessary for validation of results.  Papers will consist
of invited and contributed papers. Attached below is a preliminary list of

Additional information and registration materials for this meeting can be
obtained at
or by e-mail from


Valeri Babushok, NIST
Chemical Limits to Flame Inhibition: Effectiveness of Metallic Flame

Frederique Battin-Leclerc, University of Nancy, France

Rajiv Berry, Air Force Research Lab
Kinetics and Unusual Products of the Reactions of Oxygen Atoms with Alkyl

Joseph Bozzelli, New Jersey Institute of Technology
Reactions of Bromine Species Leading to Inhibition in H2 and CH4 Oxidation

Donald Burgess, NIST
The Use of BAC-MP4 Calculations in the Development of a Chemical Kinetic
Mechanism for Fluorinated Hydrocarbons

Guy-Marie Come, University of Nancy, France

Peter Haaland, Huntington Research and Engineering
Labile Bromine Fire Suppressants

Paul Marshall, University of North Texas
The Kinetics of Elementary Reactions of CF3Br and CF3I with H, OH, O and CH3
Radicals: Experiments, Ab Initio Calculations and Implications for Combustion

Andrew McIlroy, Sandia National Lab
Kinetic Modeling of Hydrogen Combustion Suppression by CF3I

George Petersson, Wesleyan University
Complete Basis Set Reaction Rates

Martin Schwartz, University of North Texas
Rate Constant Predictions for Hydrogen Abstraction Reactions

Joseph Durant, Sandia National Lab

Karl Irikura, NIST
Ab Initio Kinetics of the Thermal Dehydrohalogenation of Alkyl Iodides

Marie-Therese Rayez, University of Bordeaux, France

H. Bernhard Schlegel, Wayne State University
Exploring Potential Energy Surfaces for Chemical Reactions Using Ab Initio
Molecular Orbital Theory

Thanh Nguyen Truong, University of Utah
Predicting Kinetics, Dynamics and Mechanisms of Gas-Phase Polyatomic Reactions
from First Principles:  Practical Ab Initio Direct Dynamics Methodology

Phillip Westmoreland, University of Massachusetts
Modeling Thermochemistry and Transition States for CF3CHFCF3

Rajiv Berry
Center for Computational Modeling of Nonstructural Materials
WL/MLBT, Bldg. 654
Air Force Research Laboratory
Wright-Patterson AFB, OH 45433
ph: (937)255-2467
FAX: (937)255-9019

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