Increasingly industry investments and policy decisions rely on simulations of complex physical and chemical systems in making choices associated with achieving economic, environmental, and national security goals. Modern simulation technologies (computational fluid dynamics plus accurate, reduced chemical kinetics models) are poised to play a central role in design and evaluation of systems involving complex chemical reactions. To realize this potential it is necessary to assemble the large body of experimental (physical and computational) data and mechanistic information already extant and to judiciously fill the key gaps in this knowledge base required for the practical systems of interest to industry (for example, meeting Clean Air requirements for next generation vehicles) and the Nation (e.g. exploiting alternate fuels to achieve sustainable energy security). As affirmed in a recent NIST Workshop addressing these challenges, a key to success in this area is a coordinated, collaborative effort within the combustion research and engineering community. This project is conducted in the context of these collaborations - specifically the Process Informatics Collaboration (PrIMe) and the NASA Panel on Atmospheric Chemistry. The IT infrastructure supporting this effort is conducted as part of the CSTL Project 838.3.0.0.0 �Integrated Dissemination of Physical and Chemical Property Reference Data and Information�. The tasks included in this project are: �Chemical Mechanisms for Combustion of Real Fuels� and �Environmental Processes�

• Combustion Simulation Databases for Real Transportation Fuels: A New Community Collaboration: Leading expert scientists and engineers from industry, academia, and government met at NIST during the � Workshop on Combustion Simulation Databases for Real Transportation Fuels� ( http://kinetics.nist.gov/RealFuels ) to assess needs and opportunities to translate scientific understanding of combustion to technological development. A key result of the Workshop was an agreement that a coherent effort within the combustion research community is required to address the complexities associated with real transportation fuels and that we must create an organized standard information resource and IT infrastructure to enable a collaborative effort. The initial data resource, termed the PrIMe depository, consists of data from the NIST Chemical Kinetics Database and GRI-Mech 3.0 (a current �standard� model for combustion of small hydrocarbons). The library includes data collections on atomic properties, chemical species, thermodynamics, elementary kinetics, and transport, as well as bibliographic data.

• NISTIR 7155 � Workshop on Combustion Simulation Databases for Real Transportation Fuels� June 2004 http://kinetics.nist.gov/RealFuels