Molecular Knowledge Systems

January 15, 2006 Bedford, NH – Highly effective, non-toxic, low-BOD aircraft anti-icing fluids are closer to reality now that Molecular Knowledge Systems, Inc. and Foster-Miller, Inc. have concluded a three-year DOD funded research project. Using its advanced physical property estimation and chemical product design software, Molecular Knowledge Systems computationally screened millions of candidate compounds to identify those molecular structures and formulations having the required freezing points, flash points, viscosities, and environmental compatibility. Foster-Miller's expertise in aircraft icing prevention and analytic chemistry was then used to experimentally evaluate the top, most promising candidates. A patent application has been filed on the new formulation and licensing arrangements are being pursued.

A large amount of the over 250,000 gallons of anti-icing fluids used each winter to remove ice from aircraft finds its way, untreated, into streams and rivers. Current fluids have been known to rapidly biodegrade at the onset of spring causing a devastating drop in the stream's dissolved oxygen content possibly resulting in the death of fish and other aquatic life. The new formulation was specifically tailored to eliminate this environmental concern while still being easily treatable for those airports that capture their fluid runoff.

Using Molecular Knowledge Systems' Cranium® and Synapse® software packages, physical property estimation techniques were developed for the key properties of importance. These estimation techniques where then used in an "inverse" manner. The desired properties of the ideal fluid were entered into the software and millions of candidate molecules were computationally generated and tested. Those candidates having acceptable properties were then tested experimentally. "The combination of thermodynamic, rheological, environmental, and economic constraints made the anti-icing fluid design a challenging problem. We were very pleased with how well our software addressed the problem." said Dr. Kevin Joback, president of Molecular Knowledge Systems, Inc.

Molecular Knowledge Systems, Inc. is a leading provider of computer software and consulting services that enable companies to develop new, improved chemical products by understanding and exploiting the relationships between chemical structure and physical properties.

Foster-Miller, Inc. is an independent, privately held engineering and technology development firm. The company maintains over 170,000 sq. ft. of offices, laboratories, and shops and has a staff of more than 300 composed of mechanical, electrical, thermal, chemical, nuclear, aerospace and materials engineers as well as metallurgists, physicists, mathematicians, chemists and biologists.

Cranium and Synapse are registered trademarks of Molecular Knowledge Systems, Inc. All other companies or products listed are trademarks of their respected owners.


Contact: Kevin Joback, Molecular Knowledge Systems, Inc. Email: Phone: (603) 472-5315

	Computer-Aided Chemical Product Design of Environmentally Advantaged Aircraft Anti-Icing Fluds

*January 15, 2006 Bedford, NH* –** Highly effective, non-toxic, low-BOD aircraft anti-icing fluids are closer to reality now that Molecular Knowledge Systems, Inc. and Foster-Miller, Inc. have concluded a three-year DOD funded research project. Using its advanced physical property estimation and chemical product design software, Molecular Knowledge Systems computationally screened millions of candidate compounds to identify those molecular structures and formulations having the required freezing points, flash points, viscosities, and environmental compatibility. Foster-Miller's expertise in aircraft icing prevention and analytic chemistry was then used to experimentally evaluate the top, most promising candidates. A patent application has been filed on the new formulation and licensing arrangements are being pursued. A large amount of the over 250,000 gallons of anti-icing fluids used each winter to remove ice from aircraft finds its way, untreated, into streams and rivers. Current fluids have been known to rapidly biodegrade at the onset of spring causing a devastating drop in the stream's dissolved oxygen content possibly resulting in the death of fish and other aquatic life. The new formulation was specifically tailored to eliminate this environmental concern while still being easily treatable for those airports that capture their fluid runoff. Using Molecular Knowledge Systems' Cranium® and Synapse® software packages, physical property estimation techniques were developed for the key properties of importance. These estimation techniques where then used in an "inverse" manner. The desired properties of the ideal fluid were entered into the software and millions of candidate molecules were computationally generated and tested. Those candidates having acceptable properties were then tested experimentally. "The combination of thermodynamic, rheological, environmental, and economic constraints made the anti-icing fluid design a challenging problem. We were very pleased with how well our software addressed the problem." said Dr. Kevin Joback, president of Molecular Knowledge Systems, Inc. Molecular Knowledge Systems, Inc. is a leading provider of computer software and consulting services that enable companies to develop new, improved chemical products by understanding and exploiting the relationships between chemical structure and physical properties. Foster-Miller, Inc. is an independent, privately held engineering and technology development firm. The company maintains over 170,000 sq. ft. of offices, laboratories, and shops and has a staff of more than 300 composed of mechanical, electrical, thermal, chemical, nuclear, aerospace and materials engineers as well as metallurgists, physicists, mathematicians, chemists and biologists. # # # Cranium and Synapse are registered trademarks of Molecular Knowledge Systems, Inc. All other companies or products listed are trademarks of their respected owners.