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

Computational Design of Carbon Dioxide (CO2) Absorption Solvents

April 19, 2010 Bedford, NH – Molecular Knowledge Systems and the Vishwamitra Research Institute have begun a three-year EPRI funded project to develop new solvents that can economically absorb carbon dioxide (CO2) from the flue gases of coal-fired power plants. Being able to economically remove CO2 from flue gas would mitigate much of the environmental concern of using more coal to generate electricity.

Molecular Knowledge Systems will use its Synapse software system to design and evaluate the new absorption solvents. These solvents will be designed to have improved absorption/desorption behavior, low liquid viscosity, high thermal and chemical stability, and low aquatic toxicity. Relevant physical property data and estimation techniques are being compiled and evaluated and will be added to future versions of the company's Synapse and Cranium software products.

Vishwamitra Research Institute will use its expertise in process simulation to evaluate these new solvents in novel process designs. The Institute will use an iterative approach to integrate the problems of solvent design and process design thus providing an optimal solution to this multi-objective problem.

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.

The Vishwamitra Research Institute is involved in research and development in the areas of mathematical modeling, optimization, uncertainty and risk analysis of large scale industrial, ecological, energy, security, and management systems.

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