Subject: 2002 Spring National ACS Meeting -- PHYS Division

From: "Golab, Joseph T" <[email-masked]>
Date: Mon, 1 Oct 2001 15:23:23 -0500

!!! CALL FOR PAPERS 2002 Spring National ACS Meeting (April 7-11) !!!

"Molecular Modeling and Simulation of Reaction Mechanisms, Kinetics, and
Catalysis" (PHYS)

>>>>> SUBMISSION DEADLINE November 1, 2001 <<<<<

As part of the 2002 Spring National ACS Meeting (April 7-11, 2002) in
Orlando, a PHYS symposium will be held on "Molecular Modeling and Simulation
of Reaction Mechanisms, Kinetics, and Catalysis".

Molecular modeling and simulation methodologies have reached levels of
sophistication and accuracy that make them increasingly useful for reaction
mechanisms, kinetics, and catalysis.  In addition, an impressive array of
modeling software exists that when properly applied by chemists and chemical
engineers lead to significant enhancements in the design, pilot, and
production stages of chemical processes.  Even so, the capabilities and
limitations of the technology are often not well-known while the demand for
new computational methods continues to rise.  For example, if a mechanistic
reaction pathway is modeled well, it is still hard to predict the impact of
promoters or poisons.  Zeolite catalyzed reaction mechanisms are not well
understood and tools that predict elementary thermal reaction rate constants
> from first principles still cannot be used by chemical engineers for process
design.  Even so, a substantial acceleration of research and development
efforts can be achieved through the proper integration of experimental,
engineering, and chemistry modeling applications.

The purpose of the symposium is to foster the continued, efficient dialogue
between practitioners in both experimental and computational kinetics and
catalysis that leads to real links exploitable to industry, government, and
academia.  The goal of the session is to educate potential, novice, and
expert modelers by emphasizing how methods and successes have helped (or
have the potential to help) the fields of kinetics and catalysis.

Contributed papers should focus on applications and new developments that
highlight overlap with and support of other areas of kinetics and catalysis.
Feel free to identify how modeling is implemented in your organization,
share achievements, and philosophize on future challenges or rewards.  It is
anticipated that the audience will consist of those who need to understand
possible uses and results and those who simply want to learn about the area.

We are seeking papers on the following topics: Homogeneous, Heterogeneous,
and Enzymatic Catalysis; Gas, Solution, Condensed Phase, Surface, and
Elementary Kinetics; Potential Energy Surfaces; Process Screening; and
Tools.

We strongly encourage you to submit a suitable paper for this session using
the on-line abstract submission system.  The OASys web address is
http://oasys.acs.org/. Once at the OASys page, click on
the Physical division acronym (PHYS) which will lead you to a listing of the
Orlando symposia.

PLEASE NOTE THAT THE SUBMISSION DEADLINE IS NOVEMBER 1, 2002.

Please distribute this information to other researchers in industry,
academia, and national labs.  Thank you for your consideration.

Professor Thanh N. Truong                  Dr. Joseph T. Golab
Department of Chemistry                    BP Chemicals
315 S 1400 E, Rm 2020                      MAIL CODE C-7
University of Utah                         150 West Warrenville Road
Salt Lake City, UT 84112                   Naperville, Illinois 60563
Tel: (801) 581-4301	                        Tel: (630) 961-7878
Fax: (801) 581-4353                        Fax: (630) 420-4382
Email: [email-masked]           Email: [email-masked]