20. HIGH PERFORMANCE MATERIALS FOR LONG TERM FOSSIL ENERGY APPLICATIONS

New materials, ideas, and concepts are required to significantly improve performance and reduce the costs of existing fossil systems or to enable the development of new systems and capabilities.  The Fossil Energy Materials Program conducts research and development on high-performance materials for longer-term fossil energy applications, including gas separations and storage.  The program is concerned with operation in the hostile conditions created when fossil fuels are converted to energy.  These conditions include high temperatures, elevated pressures, and corrosive environments (reducing conditions, gaseous alkali). Grant applications are sought only for the following subtopics:      

a. Surface Modification of Alloys for Ultrasupercritical Coal-Fired Boilers—The implementation of ultrasupercritical boilers will require materials with high-temperature creep properties and high-temperature oxidation and corrosion resistance.  New ferritic, austenitic, and nickel-based alloys have been designed to meet the creep resistance demands, but the high operating temperature poses the risk of accelerated material degradation in various harsh environments.  In a coal-fired boiler, there are oxidizing and corroding environments that range from simple gas attack to the deposition microclimates of complex nature.  The gases can be oxidizing, such as mixtures of O2 and SO2/SO3, or a more complex mixture including aggressive gaseous compounds such as H2S, HCl, COS, CS2, CO, and methyl mercaptan.  These later gaseous compounds are usually generated during the substoichiometric combustion of coals when modified combustion systems are implemented for NOx emissions control.  Similarly, the substoichiometric combustion process generates unburned carbon and pyritic particulate that, based on the hydrodynamics of the fireball, may end up deposited on heat transfer surfaces.  The deposits can generate various local reducing environments, ranging from carbonaceous to sulfidizing, and even low-melting eutectics that act as a flux on the metal surface.

Surface modification techniques could provide an alternative to otherwise costly nickel-based materials.  The science of thermal spray has evolved in the last 15 years with the implementation of techniques, such as High Velocity OxyFuel (HVOF), that have improved the quality of the applied coatings.  Other emerging techniques include cold spray technology, which when combined with nano-size powders can provide flexibility and economic advantages, and weld overlay and chromizing technologies, which are used to ensure that pressure parts are adequately protected from the operating environment.  Grant applications are sought to develop new surface modification techniques, or to optimize the techniques mentioned above, for the protection of high temperature alloys used in ultrasupercritical coal-fired boilers.

Questions - contact Richard Read (richard.read@netl.doe.gov) 

b. Sealing Technology for Gas Separation Devices—One of the enabling technologies required for high efficiency, low emissions fossil energy conversion is the development of sealing materials for hermetically joining the inorganic membranes used in high temperature gas separation to the underlying support structure of the separation device. Ceramic membranes, which have operating temperatures between 250 and 1000ºC, are attracting increasing attention because of their technological importance in high temperature gas separation and membrane reactor processes.  However, in order to fully exploit the unique properties of these advanced ceramics, the ceramic membranes must be sealed to a dense ceramic or a metal support structure.  Commonly used seals are not suitable for these applications because their heat resistance is ineffective above 400ºC.  Therefore, grant applications are sought to develop inorganic materials with high melting points that can be used for sealing the ceramic membranes at high temperatures (greater than 600ºC).  For good sealing results, the seals must be tailored to obtain suitable wettability, viscosity, chemical inertness, thermal expansibility, and bonding strength.  The sealing of these ceramic membranes should achieve a success rate of nearly 100% if correct sealing procedures were adopted.

In addition, materials need to be developed for joining ceramic and metal parts in newly developed hydrogen gas separation membranes which operate at high temperatures.  This high temperature 'glue' will replace materials used at lower temperature.  The work should focus on new strategies and materials and evaluating the strength and chemical properties of the latter.

Questions - contact Richard Dunst (dunst@netl.doe.gov)  

c. Computational Tools for Materials Development—Novel materials that can withstand high temperatures and extreme environments, as well as those needed for the separation and storage of hydrogen are dominant themes in materials development for efficient energy systems.  For the former, basic requirements are elevated melting temperatures, high oxidation and corrosion resistance, the ability to resist creep, and high toughness, and encompass some of the most challenging problems in materials science.  Computer simulation to study the structure, properties, and processing of materials on the atomic scale is needed to speed the advancement of innovative strategies that would replace traditional, trial-and-error experimental methods which are costly and time-consuming.  A wide range of computer modeling tools, ranging from highly accurate quantum mechanics (electronic structure) methods to simple interatomic potentials, could be brought to bear on addressing critical materials needs.

In gas separation and storage systems, there is a need to use computer simulations for the development of novel membranes for gas separations, especially hydrogen separation from coal-derived gases.  Novel membranes could include:  micro-engineered membranes, nano-composite membranes, inorganic membranes, and those needed for membrane reactors.  Theory, modeling, and simulation will enable (1) understanding the physics and chemistry of hydrogen interactions at the appropriate size scale and (2) the ability to simulate, predict, and design materials performance for separation and storage.

An effective way to accelerate research in this field is to use advances in materials simulations and high performance computing and communications to guide experiments. This synergy between experiment and advanced materials modeling will significantly enhance the synthesis of novel high-temperature materials.  Grant applications are sought for the development of computational tools and simulations that will reliably predict properties of materials for fossil energy systems in advance of fabrication.  The research should only address materials of interest to fossil energy conversion systems.

Questions - contact Patricia Rawls (patricia.rawls@netl.doe.gov)  

References: 

Subtopic a:  Surface Modification of Alloys for Ultrasupercritical Coal-Fired Boilers

1.      Stringer, J., “Coatings in the Electric Supply Industry:  Past, Present and Opportunities for the Future,” Surface and Coatings Technology, 108-109: 1-9, 1998.  (ISSN: 0257-8972)

2.      Pint, B. A., et al., “Defining Failure Criteria for Extended Lifetime Metallic Coatings,” 2002.  (Full text available at:  http://www.netl.doe.gov/publications/proceedings/02/materials/Pint%20Fossil%20Paper.pdf)  

3.      Pint, B. A., et al., “High Temperature Oxidation Performance of Aluminide Coatings,” 2003.  (Full text available at:  http://www.ornl.gov/sci/fossil/Publications/ANNUAL-2003/ORNL-2B.pdf)

4.      Zhang, Y., et al., “Interdiffusion Behavior in Aluminide Coatings for Power Generation Applications,” 2003.  (Full text available at:  http://www.netl.doe.gov/publications/proceedings/03/materials/manuscripts/Zhang_m.pdf)

Subtopic b:  Sealing Technology for Gas Separation Devices

5.      Weil, K. S., et al., “Development of Brazing Technology for Use in High Temperature Gas Separation Equipment,” Proceedings of 17th Annual Conference on Fossil Energy Materials, Baltimore, MD, April 23, 2003.  (Full text available at:  http://www.netl.doe.gov/publications/proceedings/03/materials/Weil.pdf)   

6.      Ritland M. A. and Readey, D. W., “Processing and Properties of Al2O3-Cu Composites,” Proceedings of the 1993 TMS (The Minerals, Metals and Materials Society) Fall Meeting:  Processing and Fabrication of Advanced Materials III, pp. 3-13, TMS, August 1994.  (ISBN: 0873392310)

7.      Ritland, M. A., et al., “Method for Sealing and/or Joining an End of a Ceramic Filter,” June 2001.  ( U.S. Patent No. 6,247,221) (Full text available at:  http://www.uspto.gov/.  Under “Patents” on menu at left, click on “Search”. Under “Issued Patents” click on “Quick Search”.  Search by Patent No. above.)

8.      Hardy, J. S., et al., “Joining Mixed Conducting Oxides Using an Air-Fired Electrically Conductive Braze,” Journal of the Electrochemical Society, 151(8): J43-J49, 2004.  (ISSN: 0013-4651)

Subtopic c:  Computational Tools for Materials Development

9.      Chan, K. S. and Davidson, D. L. “Improving the Fracture Toughness of Constituent Phases and Nb-Based In-Situ Composites by a Computational Alloy Design Approach,” Metallurgical and Materials Transactions A, 34A: 833–1849, 2003.  (ISSN: 1073-5623)

10.  Garberoglio, G., et al., “Adsorption of Gases in Metal Organic Materials:  Comparisons of Simulations and Experiments,” Journal of Physical Chemistry B, 109(27): 13094-13103, 2005.  (ISSN: 1089-5647)

 

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