Geosciences

Catalysis and catalytic processes

Catalysis and catalytic processes are responsible for about 20% of the U.S. gross domestic product (all goods and services), and are the keys to future gains in energy efficiency, environmental stewardship and attendant economic prosperity for the country. Sandia has many years experience in catalysis R&D, including many mutually-beneficial collaborations with industry and universities. Our focus in catalysis is multidisciplinary, based on the excellent facilities and capabilities that are available at Sandia. Studies range from basic (understanding of structure-function relationships through molecular modeling) to applied (development of catalysts for petroleum processing and chemical feedstock production). We focus our studies on catalysts for environmental applications (NO_x reduction), fossil fuel conversion, chemical processing, catalysts for fuel cells, nanocatalysts, and biomimetic catalysts for synthesis of chiral molecules.

Besides our technical studies, we are actively involved in promoting Chemical Industry Vision 2020, through work with DOE, with the American Chemical Society and with the Council for Chemical Research. We currently lead the Refinery of the Future virtual laboratory, a partnership of the national laboratories that provides a technical interface to the refining industry. We and Los Alamos National Laboratories are partnering in the development of a Catalysis Center of Excellence, a virtual laboratory concept for development of technical excellence and customer (industry)-directed focused R&D. In this regard, we welcome interactions with potential technology partners, and encourage personnel visits and exchanges.

Specific technical projects that we are currently pursuing include:

Nanocatalysis

Sponsor: DOE/FE

Contact: Anthony Martino

This project develops nanocluster catalysts using an inverse micelle technique. Highly dispersed clusters 1-3 nm in diameter are potentially good catalysts, because they exhibit ultra-high surface areas and unique material properties. Our microemulsion technique allows for particle size control, organic phase stabilization, and formation of noble metals, base metals, mixed metals, sulfides and oxides. These nanocatalysts may be used either as dispersed (homogeneous) catalysts or as supported (heterogeneous) catalysts. We are developing novel support methodologies, based on sol-gel encapsulation techniques.

Many potential catalytic reactions exist because of cluster composition variety and multiple material forms (dispersed or supported). We are particularly interested in using these catalysts for coal liquefaction and fossil fuel-plastics coprocessing, but many other applications are possible.

Fine particle catalyst testing

Sponsor: DOE/FE

Contact: Fran Stohl

The goal of Sandia's Testing of Fine-Particle Catalysts project is to evaluate the fine-particle size unsupported catalysts that are being developed for coal liquefaction. It is difficult to compare catalytic testing results from different researchers because of the variety of testing procedures used. Sandia has developed a standard test procedure that can be applied to all these catalysts so the best catalysts can be identified. This testing is performed in small (43 cm³) batch microautoclaves. Additional efforts include developing procedures to coprocess waste materials (such as plastics or heavy resid) with coal in coal liquefaction reactions.

Direct coal liquefaction

Sponsor: DOE/FE

Contact: Tim Gardner

Sandia has been involved in the direct liquefaction of coal and the upgrading of coal-derived liquids for over ten years. Catalysts based on sulfided NiMo phases supported on silica-doped hydrous titanium oxide (HTO:Si) have been developed which offer distinct advantages over similar catalysts utilizing commercial alumina supports. These advantages are related to the very high dispersion of the catalytic active phase on the HTO:Si supports and the ability to synthesize the catalyst in either a bulk or a coated form. Superior results have been obtained for the HTO:Si-supported NiMo catalysts relative to commercial alumina-supported NiMo catalysts in model reactions (pyrene hydrogenation [see Figure 2] and dibenzothiophene hydrodesulfurization), as well as for actual pilot scale direct coal liquefaction tests and continuous hydrotreatment of coal- or petroleum-derived liquids.

Engineered HMO-Based Catalysts Can Be Fabricated in Bulk Forms, Such as Fine or Granulated Powders (See A, B), or Coated Forms Using Various Engineered Support Materials (See C, D, and E).

Novel catalysts can enhance the efficiency of coal liquefaction processes through improvements in catalyst activity, selectivity, and life. A viable coal liquefaction process can improve U.S. economic competitiveness by offering an alternative to imported oil and thereby keeping an economic cap on the cost of imported oil. These new catalyst materials may also find important applications in the efficient upgrading of heavy oils, bitumens, and petroleum residues, which are becoming increasingly important as the world's supply of light crude oil is depleted.

Pyrene Hydrogenation Activity of Commercial Benchmark and NiMo/HTO:Si Catalysts in Both Bulk and Coated Forms

The primary goal for the Advanced Direct Liquefaction Concepts for Improved Efficiency and Economics project (Contact: Fran Stohl) is to evaluate new concepts for producing coal liquids that will enable coal-derived liquids to be obtained cost effectively. Sandia's experimental work is aimed at optimizing coal liquefaction processing conditions for various portions of the coal liquids by using continuous operation reactors that can be run unattended. This project is a joint effort with the University of Kentucky Center for Applied Energy Research, CONSOL Inc., and LDP Associates.

The Refining of Coal Liquids project (Contact: Fran Stohl) involves hydrotreating various distillate cuts of the final coal-derived liquid product to determine how best to introduce these liquids into an existing refinery. This project also uses Sandia's continuous operation reactors. This project is a joint effort with Bechtel, Southwest Research Institute, Amoco Oil Co., and M.W. Kellogg.

Indirect coal liquefaction

Sponsor: DOE/FE

Contact: Nancy Jackson

Under Construction

Fossil fuel/waste coprocessing

Sponsor: DOE/FE and DOE/EE

Contact: Anthony Martino

Under Construction

Feedstocks and fuels

Sponsor: LDRD (internal Sandia R&D support)

Contact: Nancy Jackson

Under Construction

Membrane reactors

Sponsor: LDRD (internal Sandia R&D support)

Contact: Allen Sault , Bob Schwartz

Under Construction

NO_x catalysts for lean-burn automotive engines

Sponsor: DOE/EERE/OTT

Contact: Tim Gardner , Steve Lott

In 1993, the Low Emissions Partnership, which consists of General Motors, Ford, and Chrysler, entered into an agreement with Sandia to develop HMO-based catalysts to mitigate NOx emissions in lean-burn engine exhaust. The flexibility of the HMO process chemistry allowed a wide variety of catalysts to be screened for NOx reduction activity in bulk powder form. Promising catalyst compositions were then fabricated on small-scale cordierite monoliths using HMO coating and ion exchange techniques and similarly tested. The best catalyst systems were then evaluated by scaling up the HMO coating and ion exchange processes to a full developmental size (110 cubic inch) catalytic converter (see Figure 3). Tests of these prototype converters on a lean-burn engine dynamometer facility at Lockheed Martin Energy Systems Y-12 Plant showed that NOx reduction activity rivaled a commercial benchmark catalytic converter. Total time from initial bulk catalyst screening to developmental size catalytic converter fabrication was less than 2 years. This project received the 1996 PNGV (Partnership for a New Generation of Vehicles) Award for Technical Accomplishment.

Lean-burn engines have been identified by U.S. automakers as the next major technological step in combustion engine design and fuel economy. By using more air during combustion, lean-burn engines get better mileage and produce less carbon monoxide and unburned hydrocarbon pollutants than conventional gasoline engines. However, destruction of NOx pollutants, which are produced by all engines, is more difficult in a lean-burn engine. Catalytic converters that were developed for conventional engines cannot be used for lean-burn engines. If a lean-burn engine is to become commercially viable, a novel catalyst technology is needed. Similar catalysts may also find application for diesel engines, where highly oxidizing conditions in the exhaust stream demand similar advances in catalyst technology.

Full Scale Prototype Catalytic Converter Produced by Sandia for Evaluation in Lean-Burn Engine Dynamometer Tests.