13.2: C 42/6/ 997 Technology Administration National Institute of Standards and Technology Chemical Science and Technology Laboratory mist \W- pMi Stefe &*. p*-. H *** *** jgggk g£ - '. ■*** fttife ** *** *** to*- 3 About the Cover Images, top to bottom: DNA point mutations in the p53 gene, which are diagnostics tor human cancer, are resolved as colored bands through slab gel electrophoresis (see page 9). Microanalytical compositional mapping or advanced materials and particle populations requires the inte- gration or computer-assisted imaging and spectral deconvolution software (See page 15). A solid-state titanium-sapphire laser is adjusted lor analysis or auto emissions (see page l). Physical property relationships for alternative rerrigerants, graphically illustrated here ior 1,1,1,2- tetratluoroethane rrom the NIST Thermodynamic Properties or Rerrigerants and Rerrigerant Mixtures database, are needed by industry to design rerrigeration systems (see page 11). A plasma is generated in a Reference Reactor to study etching phenomena and to control plasma cleaning conditions tor semiconductor device manutacturing (see page 19). CHEMICAL SCIENCE AND TECHNOLOGY LABORATORY U.S. Department or Commerce Technology Administration National Institute or Standards and Technology Chemical Science and Technology Laboratory As part or the Commerce Department's Technology Administration, NIST works to promote U.S. economic growth hy working with industry to develop and apply technology, measurements, and standards. NIST carries out its mission through a portfolio or four major programs: ♦ Measurement and Standards Program, consisting of laboratory research ana services that are planned and implemented in cooperation with industry and iocused on inlrastructural technologies, such as measurements, standards, evaluated data, and test methods; ▼ Advanced lechnology Program, which provides cost-shared awards to industry to develop nigh-risk, enabling technologies with significant economic potential; ♦ Manufacturing Extension Partnership Program, a network of extension centers and experts providing hands-on technical assistance to smaller manufacturers in adopting new technologies; ♦ National Quality Program, associated with the Malcolm Baldrige National Quality Award that recognizes continuous improvements in quality management by large manufacturers, service companies, and small businesses. In fiscal year 1997, NIST is operating on a total budget of more than $700 million with about 3,300 staff members at its sites in Gaithersburg, Maryland (headquarters), and Boulder, Colorado. For further information about NIST, call (301) 975-3058, send e-mail to inquiries@nist.gov, or visit on the World Wide Web at http://www.nist.gov/. . ■■■■■ Table or Contents Message irom the Director 5 Chemical Science ana Technology Laboratory 6 Measurement Standards 8 Chemical and Process Inrormation 10 CSTL International Activities 12 Measurement Science 14 CSTL at a Glance 16 The CbTL Divisions 22 Making Contact with CSTL 23 Products and Services irom CSTL 24 isrofi---- 1*^*4? <* *■ I 1 : ^ vln ( , ■ j %. w, ' ' "*.' f 1 1 » 'If i V V ' i'' I Message rrom the Director or the Chemical Science ana Technology Lahoratory Q. k^yince its creation as tne National Bureau or Standards in 1901, NIST has been tne source or measurements and standards on which industry, commerce, scientiiic institutions, and ail branches or government depend. Rellecting tbe importance or cbemical measurements and standards to our country, tne Chemistry Division was one or tne very rirst established by the rounders of NIST. Today, the Lhemical bcience and Technology Laboratory has the most comprehensive array or chemical, physical, and engineering measurement capabilities oi any group working in chemical science and technology. NIST is the Nation's reference laboratory. CSTL's mission is to perrorm research in measurement science; develop and maintain measurement methods, standards, and reference data; and develop models lor chemical, biomolecular, and physical properties and processes. An important part or our mission is to anticipate the measurement, standards, and data needs or the U.S. Industry. We assess these needs through interaction with a broad base or customers and through extensive ties to industry, academia, and other government agencies. Although we place strong emphasis on basic research, our main purpose is to serve you, our customers. We depend on you to help set program priorities, assess the value or our results, and participate in our activities. I encourage you to learn more about our programs by reading this brochure, and then to join with us in developing the chemical measurement infrastructure that is so important to our Nation. -4fer^ /^r^OcX-- Dr. Hratch C. Semerjian Director, Chemical Science and Technology Laboratory email: hratch.semerjian@nist.gov URL Address: http://www.cstl.nist.gov/ EMIOV ENCE THE UNIQUE MISSION of the National Institute of Standards and Teclinology is to promote U.S. economic growth by working with industry to develop and apply technology, measurements, data, and standards. The Chemical Science and Technology Laboratory (CSTL) is part or the NIST Measurement and Standards Program. The mission or CSTL is to provide the chemical measurement infrastructure to enhance U.S. industry's productivity and competitiveness; assure equity in trade; and improve public health, safety, and environmental quality. CSTL recuses on inrrastructural technologies including measurement standards, chemical and process information, and measurement science. The vision of CSTL is to be a world-class research laboratory recognized by the Nation as the primary resource for chemical, biomolecular, and chemical engineering measurements, data, models, and reference standards required to enhance U.S. industrial competitiveness in the world market. In order to attain this vision, C bTL activities cut across scientiric disciplines and rocus on the rollowmg goals: Measurement Standards (page 8) ▼ Establish CSTL as the pinnacle of the national traceability and international comparability structure for measurements in chemistry, chemical engineering and biotechnology, and provide the fundamental basis of the nation's measurement system Chemical and Process Information (page 10) V Assure that U.S. industry has access to accurate and reliable data and predictive models to determine the chemical and physical properties oi materials and processes Measurement Science (page 14) W Anticipate and address next generation measurement needs or the nation, by performing cutting-edge research CSTL is working with the American Industry/Government Emissions Research (AIGER) consortium to develop real-time procedures for measuring oxygenated hydrocarbons in auto emissions. This meas- urement technology is needed to assist in the development of next generation "clean cars" and for monitoring compliance to U.S. EPA and California state regulatory statutes. UIM,., . Near-infrared high resolution Fourier-transform spectrum of formaldehyde (taken in collaboration with 5. Sharpe and R. Sams at Pacific Northwest National Lab). mm fANDAR [ A SIGNIFICANT PORTION of U.S. industrial production and international trade is dependent on chemical and physical measurements. Congress in 1901 assigned NIST (then the National Bureau of Standards) tne task or maintaining tne national measurement system. Key to this system is tne development and maintenance or primary and secondary standards, and a national system or measurement traceability to those standards. To meet its measurement responsibilities, CSTL develops- and maintains national standards, certifies Standard Reference Materials (SRMs), and offers a wide variety or calibration services (see page 24). We also provide quality assurance services for tbe health care, environmental, and other industries. National ana international standards influence international trade. Our trading partners around the world are rapidly developing and adopting quality systems that specify and document internationally accepted standards of quality for products, goods, and services. The measurement infrastructure required lor U.S. companies to demonstrate conformance with these quality standards has important consequences for the competitiveness of U.S. industry Physical and chemical measurement standards have significant implications for the market position of U.S. instrumentation and sensor manufacturers. Of greater potential economic significance is the effect that ISO 9000 and ISO 14000 registration, or similar measures, could have on U.S. chemical producers, many of whom are multinational companies. The services and technologies provided by CSTL help U.S. industry meet the broad range of international measurement requirements and compete in global markets. The Analytical Chemistry Division is working with the Food and Drug Administration and the food industry to produce SRMs that can be used to assist in complying with the Nutrition Labeling and Education Act of 1990. This law requires food processors to provide specific nutrition information on their products' packaging. The accuracy of this information can be improved when food-matrix reference materials are available. Vitamin A values provided on nutrition labels are less accurate than values for other nutrients. NIST is producing SRM 2383, Baby Food Composite, with certified concen- trations of vitamin A and fi-carotene (a pre- cursor of vitamin A). A liquid chromato- graphic (LC) method using a NIST-engi- neered Cjq column (chromatogram, inset) and several other LC methods are used to determine caroienoids, including K -carotene, in SRM 2383. 1 1 10 I 20 Time I I 30 minutes! ! 40 50 Mutations of the p53 gene have been impli- cated in over half of all human cancer cases. Further, breast cancer patients with tumors containing p53 mutations have a poorer survival frequency than those with tumors with normal, or wild type, p53. Detection of p53 mutations in tumors will likely be used to determine the aggressiveness of therapy and provide valuable prognostic informa- tion for patients and clinicians. We are using advanced instrumentation to measure the accuracy and sensitivity of two mutation detection assay systems. For these studies, DN A clones containing different mutations have been created by site-directed mutagenesis of the wild type gene. A panel of these clones is being analyzed, and a subset of these clones will be selected as a NIST Standard Reference Material. CSTL staff provide instruction in the proper techniques for comparison calibration of industrial thermometers and thermocou- ples. Workshops in precision thermometry are held twice each year. These workshops are excellent ways to transfer new develop- ments and proper measurement techniques to chemical, aerospace, instrument manu- facturing, biotechnology industry, power- generating utilities and other government agencies. Production and characterization of refer- ence materials is a core activity within CSTL. Here, a researcher displays carbon dioxide isotopic Reference Materials distributed worldwide for the intercomparison of 15 C and '"O abundance measurements. The proper use of such materials improves interlaboratory measurement reproducibili- ty, important for multilaboratory / multina- tional studies of environmental systems, international traceability of isotopic data, and improved resolution of isotopic differ- ences in samples for scientific, medical, industrial, and forensic applications. EM I C ALAND PROCESS-INFORMATIO V. 3 I l_ VVvll\l\J I \J r\jJ\Jt\t. that U.S. industry has access to accurate and reliable data, models, and predictive algorithms. Traditionally, CSTL has been the key source for evaluated data and Standard Reference Data (SRD). Rather than simply being a source ror data, we serve as a channel through which customers can access the most reliable data anywhere in the world. This is possible through our evaluated numeric databases, the benchmark measure- ments we make to rill gaps m databases and to validate models, and the computational approaches we develop ror data prediction. The recent addition or the NIbT Lhemistry WebBook (http://webbook.nist.gov) to the NISI World Wide Web site provides a highly effective tool ror data dissemination. The increasing power of computational tools: Computers are doubling in power every lew years, and the importance or computations in scientific and engineering research is growing accordingly. Many industries are now using computational approaches to generate the data needed for accelerated product development and process design and to simulate unit process and plant operation. A change m emphasis from product development to process improvement: The development or novel and improved processing techniques and new approaches to pollution prevention and control are critical to the economic success or U.S. industry. Technologies that are common to many processes (such as catalysis, oxidation, com- bustion, and separations) will benefit from LbTLs interdisciplinary approach to their fundamental under- standing and application. LbTL scientists study novel processing techniques such as chemical vapor deposition and plasma processing or semiconductor materials. Our programs also address pollution prevention and pollution control, since the rising costs or waste disposal and environmental regulations may make improved environmental performance of industrial processes a key to economic viability. Clockivise from lower right: (A) The NIST/EPA/NIH Mass Spectral Database, available for personal computer use on CD, contains over 75,000 electron-impact mass spectra (over 120,000 spectra in the upcoming version); it is used in the data systems of thousands of mass spectrometers. (B) The NIST Chemistry WebBook is disseminated on the Internet (http://webbook.nist.gov/) and contains thermochemical data for over 5,000 organic and small inorganic compounds, heat of reaction data for over 5,000 reactions, IR spectra for over 5,000 compounds, mass spectra for over 8,000 compounds, ion energetics data for over 14,000 compounds, and thermophysical property data for a select group of industrial fluids. (Q The NIST Thermodynamic Properties of Refrigerants and Refrigerant Mixtures Database is saving the air conditioning and refrigeration industry millions of dollars as the industry standard for calculating the properties of potential alternative refrigerants. (D) The NIST/NASA/CARB Biological Macromolecule Crystallization Database, also disseminated on the Internet (http://ibm4.carb.nistgov:4400 bmcd/bmcd.html), contains crystal data and the crystallization conditions for 5,258 crystal entries from 2,297 bio- logical macromolecules for which diffraction quality crystals have been obtained. (E) The Automated Mass Spectral Deconvolution and Identification System, developed in CSTL to support the Defense Special Weapons Agency in their work on the Chemical Weapons Treaty, enables automated chemical weapons inspections with minimal risk of compromising proprietary data. ipecial Data Sets • Thermophysical Properties of Fluid Systems High* ] NIST Chemistry WebBook - Microsoft Internet Explorer [■File Edit View Qo Favorites Help |\HST Chemistry WebBook NIST Standard Reference Database Number 69 - July 1997 Release I Neutral Thermochermcal data compiled by H. Y. Ajeejy, J.F. Liebman, S.E. Stein Condensed Phase Heat Capacity data compiled by E.S. Domaiskt, E.D. Hearing Ionization Energetics (IE, AE) data compiled by S.G. Lias, H.M. Rosenstock, K. Draxl.B.W. Steiner.J.T. Herron.J.L ■ Levin, J.F. Liebman, £A Kafafi Ionization Energy data evaluated by S.G. Lias Negative Ion Energetics data compiled by J.E. Bartmess Proton Affinity data compiled and evaluated by E.P. Hunter, S.G. Lias Heat of Sublimation data compiled by J.S. Chickos i Boiling Point data compiled by R.L. Brown, S.E. Stein Thermophysical Properties of Fluid Systems by E. W. Lemmon, M.O. Mc Linden, D.G. Friend Names, Structures, Mass and IR Spectra data compiled by NIST Mass Spectrometry Data Center, S.E. Stein A ^Ip-V^Ktsrb Cggfggn rjpypl^npH V>v P .7. [jitBfmM /gKRArt^CTTgtpgrwi U.S. trade success in the international marketplace relies in part on overcoming technical measurement barriers and creating a globally accepted measurement and standards infrastructure, depicted above as vertical (national/regional) and horizontal (international) relationships. CSTL is working to harmonize key international standards through bilateral and multilateral comparisons of chemical and physical measurements, technical training exercises, and influential membership in international standards organizations. As a mem- ber of the technical committees of the International Committee for Weights and Measures (CIPM), CSTL is responsible for providing the links between chemical and selected physical measurements in the United States and for the International System of Units (SI). World- wide traceability of chemical and physical measurements is ensured through a highly leveraged system of key Standard Reference Materials, primary methods of chemical analysis, primary physical standards, and calibrations (e.g., temperature, pressure, vacuum, humidity, fluid flow, and air speed). CSTL activities in this international arena positively impact the automotive, environmental, pharmaceutical, petrochemical, agricultural, chemi- cal, and instrument manufacturing industries. CSTL staff provide training in the use of their Standard Reference Databases (SRDs) and associated software systems. One such system, coupled to a GC/MS and demonstrated here, is designed specifically for field detection and identification of chemical warfare agents, and will be utilized for verification of compliance to the global Chemical Weapons Treaty. The NIST Standard Reference Photometer (SRP), developed in cooperation with the EPA, is used world- wide for monitoring ozone levels. Twenty-one SRPs, all built and calibrated by CSTL, are located in the U.S., Canada, Europe, and Australia. The instrument in Bern, Switzerland was recently designated the primary SRP for the Cdqha* ^^ 7ttmospfiertl^^^atch/vVo|:W' ^1«teorotoglcaf"Drganization (GAW/WMO) ypfoject that monitors ground-level ozone in Europe and Africa. The International Union of Pure and Applied Chemistry (lUPAQ is the recognized world authority on chemical nomenclature, terminology, symbols, units, atomic masses and related topics. NIST involvement with IUPAC is crucial to the establishment of a global standards infrastructure. Staff from several CSTL divisions contribute through their memberships on IUPAC s committees and commissions. Results of their foundational work are frequently pub- lished in the IUPAC Journal of Pure and Applied Chemistry. CSTL MAINTAINS THE TECHNOLOGICAL EDGE required to anticipate trie next generation measurement needs or the nation. One or CSTL's goals is to anticipate tne measurement needs or new technologies, so that a measurement infrastructure is available by tbe time a new technology is implemented. Needs are expanding ror accurate, quantitative measurements at ever decreasing detection limits and dimensional scales, in harsher envi- ronments, and ror a wider range or chemical species. In many cases, these measurements must be performed in situ and in real time. These trends derive in part rrom the need to improve process measurement and control strategies. Through a strong commitment to basic research, and by leading the advancement or measurement science in critical areas, CSTL is poised to meet these national needs in a timely rashion. Our work involves new concepts in measurement, along with research on the rundamental principles or measurement. For example, CSTL researchers are developing new optical techniques and reference standards ror the mea- surement or very low gas densities. This has important consequences ror the semiconductor industry. New measurement techniques are important ror a host or industries such as biotechnology, health care, environmental technologies, and the chemical process industry. 1mm C3 E3 63 -£3. 83 DO £3 E3 S3 ESQ }3 BB CSTL, in collaboration with NIST's Electronics and Electrical Engineering Laboratory, utilizes its expertise in thin-film, solid-state sensing materials, microelec- tronics fabrication and micro-machining and advanced signal processing to investigate new chemical sensing technologies for gaseous species. Research is focused on response characteristics and mechanisms of semi- conducting metal oxide thin films where electrical resistance is changed by molecules attached to the film surface. Metal oxide materials have a moderately chemically-specific electrical response, which can be further tuned for specific chemicals by choosing the set of metal oxides used (e.g., tin, titanium, tungsten, and chromium) and by the addition of various catalytic metals. Addition of small quantities of surface-dispersed, catalytic metals, as shown in the inset, where platinum grains are shown coalescing on the surface of a tin oxide polycrystalline film, further enhances analyte discrimination. The silicon micro- machined elements of this 16-element array can be heated individually with small power requirements to temperatures up to 500 °C. This results in additional response variations specific to individual analytes. Arrays such as these are anticipated to be the basis for future multi-species gas sensing technologies. Potential application areas of the technology include chemical, plastics, and semiconductor manufacturing, trans- portation, and health and safety. Teamwork in a clean room is frequently necessary for the preparation of particles for chemical and isotopic microanalysis. Here, a CSTL researcher uses an optical microscope to identify particles of interest, and her coworker mounts these particles on a substrate suitable for the subsequent analytical technique (e.g., SIMS, TEM, SEM, AEM) In collaboration with U.S. industry, a new capability has been developed to determine the thermal and kinetic properties of chemically reacting solids and liquids subject to rapid and con- trolled heating. This unique device uses laser radiation to achieve the rapidly changing, dynamic high-temperature environments characteristic of real world' thermal processes that are not accessible with conventional thermal analysis techniques. The bender-focuser lens built for the cold neutron prompt gamma activation analysis instrument allows measure- ments at higher spatial resolution and lower background. The lens consists of 3997 polycapillary lead-glass fibers, each containing 1657 hollow capillary channels of 9.5 pm diameter in a hexag- onal arrangement. A portion of the neutron beam is redirected to a focus 95 mm from the exit of the lens and 20 mm below the bottom edge of the incident beam. The lens produces a 0.65mm spot with an intensity gain of about a factor of 25. B CSTL AT A GLANCE CSTL IS A MULTI-FACETED ORGANIZATION with a broad customer w. We are a national ana international resource for chemical ana physical measurements and standards, thermochemical, thermophysical and chemical kinetic databases, and predictive models. We have customers in nearly every industrial sector or the U.S. economy. Certain industries are highly dependent upon CSTL-developed products. For example, over 60 percent of the 4,000 mass spectrometers sold annually by U.S. companies utilize the NIST/EPA/NIH Mass Spectral Database (SRD 1A). Our customers come from hoth mature and emerging industries, and include the chemical manufacturing, electronics manufacturing, automotive, petroleum refining, measurement and control instrumentation, biotechnology, environmental technologies, and health care industries. We also serve many federal government agencies, state and local governments, national laboratories, universities, and standards and industrial trade organizations. For example, 80 percent or state forensic laboratories now use the CSTL-certified Standard Reference Materials for DNA profiling, SRM 2390 and SRM 2391. This High Temperature Gas Flow Calibrator (HTGFC) provides U.S. industry with a unique capability to test and evaluate flow meters under realistic usage conditions of variable gas compo- sition, temperature, and flow. Flow measurements of improved accuracy are needed by several industries that utilize combus- tion processes. The HTGFC differs from other flow meter cali- bration facilities in its capability to produce gas streams having compositions that range over those normally found in exhaust gas streams from combustion processes. Its maximum operating temperature is 400 °C. CSTL provides this unique capability to U.S. flow meter manufacturers and to flow meter users for test and evaluation of flow metering technologies. Since the avail- ability of the facility in late 1996, interactions between meter manufacturers and NIST researchers resulted in significantly improved metering accuracy. The automotive industry, in col- laboration with state and federal environmental regulatory agencies, has taken advantage of this new measurement and standards capability to improve the technological basis for compliance with future clean-air requirements. Inset: HTGFC computer-controlled Main Operations Interface, which is used to control gas composition, temperature, and flow rate. CSTL AT A GLANCE We serve our customers in many ways. CSTL develops and certiiies Standard Reference Materials (SRMs) and develops Standard Reierence Databases (SRDs). These products are sold to customers directly, as well as through independent distributors. In LSTL, we periorm calibrations and analyses, and provide technical expertise to help accredit commercial laboratories through organizations that include tbe National Voluntary Laboratory Accreditation Program. Customers join consortia, enter into Cooperative Researcb and Development Agreements (LRADAs), interact tnrougn tbe Advanced Tecbnology Program, license patents on CSTL-developed tecbnologies, and work witb us in our labora- tories as guest researcbers. Over tbe course or a year, more tban 250 visiting researchers work side-by- side witb approximately 370 CSTL stair. In some instances, customers contract witb us directly ior our researcb and analysis services. Customers also interact witb us through measurement assurance programs, conierences and workshops, as well as iniormal collaborations. Customer needs shape our program. LSTL stair have extensive ties to industry and also participate widely m national and international committees and proiessional organizations. These activities take many iorms. These include meetings or users or CSTL products and committees or national and international standards organizations, the Council lor Lhemical Research (CCR), the International Organization ror Standardization (ISO), tbe American Society tor Testing and Materials (ASTM), the National Committee ror Clinical Laboratory Standards (NCCLS), and the National Conierence oi Standards Laboratories (NCbL). We also interact with government interagency planning committees, such as the National Science and Technology Council committees on biotechnology and environmental technology and the Calibration Coordination Group (CCG) or tbe U.S. Department or Deiense (DoD). These interactions help us assess industrial and government agency needs and set CSTL program directions. In addition to collaborating with industry, CSTL start members also collaborate witb other technical laboratories within NIST These etiorts provide an additional means ior determining and meeting customer needs. *v The image shows the 5-dimensional distribution of implanted boron in a semiconductor device. Side-b\-side environmental electron micrographs show the differences in water condensa- tion on an alkanethiol- coated Si surface (above right) and a simi- lar surface after exposure to red blood cell (RBC) membranes (above left), indicating that the RBC membrane structure is con- tinuous over the entire surface. Secondary Ion Mass Spectrometry is used to measure three-dimen- sional chemical profiles in advanced materials such as semiconductors with a lateral resolution of 0.1 micrometer and a depth resolution of a few nanometers. The chemical com- positional map can be used to derive micro-structure/perfor- mance property relationships and to improve microfabrication processes. A biomimetic lipid membrane is being formed by transferring a monolayer of phospholipid to a gold surface coated with a self-assembled monolayer of alkanethiol. Using infrared spectroscopy and neutron re- flectivity, these samples provide information on membrane and membrane-protein structures. Such information will aid in developing biomimetic materials with application in pharma- ceutical screening, sensing, and biocatalysis. Plasma Reference Reactor Semiconductor manufacturing requires tight control over plasma processing (etching) and chamber cleanliness. A Radiofrequency (RF) Plasma Reference Reactor is used to facilitate comparison between modeling and experiment in etching and chamber cleaning plasmas. The planar laser-induced fluorescence image of a chem- ically reactive intermediate (CF2) in an 2 /CF 4 cleaning plasma demonstrates that spatial density changes with increasing pressure. These results and others dependent on RF current/voltage waveform monitoring can be used to opti- mize plasma cleaning conditions and reactor operations. Increasing pressure GSTLATAGLANCE CbTL maintains a strong basic research program in broad aspects oi measurement science that keeps us ready to provide trie required measurement, standards, and data capabilities needed to support iuture tecbnology development. Many oi our activities, sucb as protein crystallography and suriace and materials microanalysis, are at tbe leading edge or science and tecbnology. CSTL bas a bigbly acclaimed and multidiscipbnary technical stair oi chemists, physicists, engineers, biologists, and computer specialists organized in iive divisions (see page 22). Many CSTL stati mem- bers hold leadership positions in proiessional societies, standards organizations, and editorial boards oi peer-reviewed scientiiic journals. CSTL is developing novel near-field optical scanned probes in the visible and infrared spectral regions to meet the projected chemical measurement needs of industry. The ability to measure chemical bonding changes on the nanometer scale is of critical importance for the characterization of surfaces relevant to heterogeneous catalysis, sensor develop- ment, materials science, and biotechnology. These near-field optical techniques are anticipated to provide spatial mapping of chemical-functional-groups on surfaces with 200 nm resolution in the infrared regions. This new form of chemical imaging will provide researchers with an in situ, non-destructive probe of site-specific chemistry that will enable engineering improved properties of surfaces. To improve the quality of kinetic data determined for free-radical reactions, the Physical and Chemical Properties Division has developed an advanced flash photolysis procedure based on laser-excited cavity ring-down techniques. Highly accurate chemical and isotopic measurement methods on extremely small samples are being developed and applied in environmental studies important to U.S. industry, state and local governments, other federal agencies, and international organiza- tions. Size-limited samples have origi- nated from process residues, chemical speciation, particles from polar ice, aerosols, and atmospheric trace gases. Here, a researcher is preparing a 20 microgram carbon sample for l4 C analysis, which will enable the appor- tionment of the biogenic vs anthro- pogenic components to help identify its origin. STM topograph of a submonolayer of alkanethiol on Au(1 1 1 ). Striped features are rows of alkanethiol molecules. The red line highlights the additional gold atoms released during adsorption- induced relaxation of the surface during reconstruction. These NIST studies reveal mechanistic pathways of organic monolayer assembly with atomic-level detail, thereby providing fundamental information for com- mercial developers of organic- monolayer-based biochemical sensors. THE C5T CSTL'S laboratory activities are primarily located at trie NIST headquarters site in Gaithersburg, MD. We also nave research activities in NIST laboratories in Boulder, CO, and at the Center for Advanced Research in Biotechnology (CARB) in Rochville, MD. CARB is a collaborative effort of NIST, the University or Maryland, and Montgomery County, MD. Chemical Science and Technology Laboratory Dr. Hratcn (j. bemerjian, Director (301)975-3145 hratcn. semerjian @ nist.gov Dr. William F. Koch, Deputy Director (301) 975-3146 William. Icocn @ mst.gov Biotechnology Division (301) 975-2629 Dr. Gary L. Gilliland, Cniel gary.gillilanu@nist.gov ▼ DNA chemistry, sequencing, ana profiling W Protein structure determination, prop- erties, ana modeling ▼ Biomaterials, biosensors, and bioelec- tronics W Biocatalysis, bioprocessmg measurements, and separations technologies Process Measurements Division (301) 975-2609 Dr. Gregory J. Rosasco, Cniet gregory.rosasco @ nist.gov ▼ Research calibration services and provision of primary standards for temperature, pressure, vacuum, humidity, fluid flow, air speed, liquid density and volume, and gaseous leak-rate measurements W Sensor research: *■ Micro-machined gas sensor arrays *• Sensing applications of self-assembled monolayers *■ Thin-film thermometry devices *■ Pressure, vacuum, and flow sensors ▼ Measurements, models, and data for design and control of semiconductor and materials processing ▼ Engineering models and measurements for control of thermal systems and industrial processes ♦ Multiphase chemical reaction engineering Surface and Microanalysis Science Division (301)975-3917 Dr. Ranee A. Velapoldi, Cnier ranee, velapoldi @ nist.gov ▼ Nanoscale chemical characterization ▼ Particle characterization and standards ▼ Electronic and advanced materials characterization W Chemical measurement process ♦ Surface and interface chemistry ♦ Advanced isotope metrology ▼ Molecular scale chemical characterization of organic and biomolecules. Physical and Chemical Properties Division (301)975-2483 Dr. Richard F. Kayser, Cniel richard.kayser@mst.gov ♦ Basic reference data ♦ Data for process and product design ♦ Properties of energy-related fluids W Environmental fates of industrial chemicals ♦ Tools for chemical analysis ♦ Fundamental studies of fluids ▼ Cryogenic technologies ▼ Computational chemistry ♦ Basic measurements and standards Analytical Chemistry Division (301) 975-3108 Dr. Willie E. May, Chief willie.may@nist.gov ▼ Chemical measurements research and services in: *• Analytical sensing technologies * Classical analytical methods *• Gas metrology *■ Laboratory automation technology *■ Nuclear analytical methods ► Organic analytical methods *■ Spectrochemical measurement methods ▼ Tools for achieving international compar- ability of chemical measurements *■ NIST Primary Reference Materials (SRMs) *■ NIST Traceable Reference Materials (NTRMs) * Interlaboratory proficiency testing programs *■ International mtercomparisons of measurement methods and standards ♦ Critical analytical data and specialty analyses * Quantitative FTIR database for open path sensing applications *■ Aqueous solubility and Hemy's Law constants database for environmentally relevant compounds *■ Analysis/Chemical characterization of high priority samples MAKING CONTACT WITH CSTL L-3 I L SL3TI intGfflCt witn industry, academia, and other government laboratory scientists through a variety or mechanisms including formal and informal collaborations, training workshops, and educational and fellowship programs. Educational and Fellowship Programs participated in by CSTL American Chemical Society Project SEED CSTL Graduate Fellowship Department or Commerce and Hispanic Association or Colleges and Universities Summer Internship National Research Council Postdoctoral Associateship NIST Industry Fellowship NIST/National Science Foundation (NSF) Faculty Research Program NIbT Student Career Experience NIST Summer Student Temporary Employment NIST Summer Student Volunteer NIST/University or Colorado Professional Research Experience N5F/NIST Graduate Student Research Program CSTL Assessment of Industrial Needs Workshops 2nd International Symposium and Workshop on Biological Environmental Specimen Banking 2nd International Symposium or Reversible Associations in Structural and Molecular Biology 6th Topical Conference on Quantitative Surface Analysis Lasting or Aerospace Alloys Workshop Catalysis and Biocatalysis Workshop Food Reference Materials Needs Workshop Measurement and Standards Needs for the Health-Care Community Molecular Spectroscopy Data Needs Workshop Ninth Annual Workshop on Secondary Ion Mass Spectrometry NIST-EPRI Ultrasonic Technology Assessment Workshop NIST Traceahility in Chemical Spectrophotometry PFC Sampling and Measurement Methodologies Technical Working Group Sensors, Control, and Robotics Needs or the Process Industries Including the Power Generation Industry Symposium on Computational Thermochemistry bymposium on the Formation and Control or Combustion- Generated Pollution Symposium on Microbeam Analysis in Materials Characterization Workshop on Characterization or the Interface/Interphase or Polymer/Substrate Systems Workshop on Low-Level Light Standards ror Luminometry Workshop on Measurement or Sulfur in Superalloys Workshop on NIR Glass Wavelength Standards Workshop on Thermophysical Properties or Ammonia-Water Mixtures CSTL Training Workshops Calibration and Use or Piston Gauges Desk Top Spectrum Analyzer Workshop Electron Probe Measurements Workshop Fat-Soluble Vitamin and Carotenoid Analysis Tutorial NCCLS Workshop on Pb in Blood NIST/NCI Micronutrients Measurements Quality Assurance Workshop NIST/NOAA Marine Environmental Measurements Quality Assurance Workshop Precision Thermometry Workshop Raman Measurements Workshop Spinning Rotor Gauge Workshop Workshop on a Molecular Recognition and Binding Database Cooperative Research and Development Agreements (CRADAs) NIST encourages industrial participation in cooperative research with us, and boasts a highly streamlined and individualized CRADA process. Nearly 700 CRADAs have been implemented at NIST since 1988; more than 500 or them were with large or small businesses. CSTL participated in over 40 such formal collaborative agreements in FY96 alone. More iniormation on establishing CRADAs with CSTL is available by contacting stair scientists, Division Chiefs, or the NIST Office of Technology Partnerships at (301) 975-3084 or http://ts.nist.gov/ts/htdocs/220.htm. Internet Access to NIST Iniormation: http : //www. nist.gov/ Internet Access to CSTL Iniormation: http://www.cstl.nist.gov/ Standard Reference Materials (SRMs) Ferrous Metals Nonferrous Metals High-Purity Materials Health/Clinical Industrial Hygiene Gas Standards Fossil Fuels Environmental Materials Food and Agriculture Geological Materials and Ores Engine Wear Materials Ion Activity Thermodynamic Properties Optical Properties Microanalysis For a complete description, see the NIST Standard Reference Materials Catalog available from the NIST SRM sales office, at (301) 975-6776 or kttp://ts.nist.gov/ts/fitdocs/230/232/232.1itm Calibration Services Air Speed Flow Measurements at Cryogenic Temperatures Fluid Flow Humidity Hydrometers Laboratory Thermometers Low Pressure, Vacuum, and Leaks Ozone ■ Pressure Resistance Thermometry 1 hermocouples, Thermocouple Materials, and Pyrometer Indicators Volume and Density For a complete description, see the NIST Calibration Services User Guide from the NIST Calibrations Program at (301) 975-2002 or http://ts.nist.gov/ts/litdocs/230/233/233.htm Standard Reference Data (SRD) Products GRI/NIST Orifice Meter Discharge Coefficient Database (SRD 45) NIST/ASME Steam Properties Database (SRD 10) NIST/DIPPR® Properties of Aqueous Solutions Database (SRD 44) NIST/EPA Gas-Phase Infrared Database (SRD 35) NIST/EPA/NIH Mass Spectral Database (SRD 1A) NIST ITS-90 Thermocouple Database (SRD 60) NIST JANAF Thermochemical Tables Database (SRD 1 3) NIST-JANAF Thermochemical Tables - SHOMATE Coefficients Database (SRD 50) NIST/NASA7CARB Biological Macromolecule Crystallization Database (SRD 21) NIST/NIH Desktop Spectrum Analyzer Program and X-Ray Database (SRD 36) NIST Chemical Kinetics Database (SRD 17) NIST Chemical Thermodynamics Database (SRD 2) NIST Chemistry WebBook (SRD 69) NIST Estimation of the Thermodynamic Properties for Organic Compounds at 298. 15K - Compounds Containing the Elements C, H, N, O, S, and Halogens (SRD 18) NIS T Elastic-Electron-Scattering Cross-Section Database (SRD 64) NIST Mixture Property Database (SRD 14) NIST Negative Ion Energetics Database (SRD 19B) NIST Positive Ion Energetics Database (SRD 19A) NIST Structures and Properties Database and Estimation Program (SRD 25) NIST Thermodynamic Properties of Refrigerants and Refrigerant Mixtures (SRD 23) NIST Thermophvsical Properties of Hydrocarbon Mixtures (SRD 4) NIST Thermophysical Properties of Pure Fluids (SRD 12) NIST X-Ray Photoelectron Spectroscopy Database (SRD 20) For a complete description, see the NIST Standard Reference Data Products Catalog available from the NIbT Standard Reference Data Program at (301J-975-2208 or http://www.nist.gov/srd/ Design by Suzanne ^-helden. Photography by H. Mars Helper, except Page 12, lower right photo by Lester Lelkowitz ana Page 15 top by R. Michael \erkouteren. Computer images generated by CbTL starr. Back cover photos clockwise rrom top lert: Aerial view or the NIST headquarters site in Gaithersburg, MD; aerial view or NISTs Boulder, CO, laboratories; Center tor Advanced Research in Biotechnology (CARB) in Rockville, MD; artist's rendition (used with permission or Jacobs Engineering Group Inc.) oi the Advanced Chemical Sciences Laboratory in Gaithersburg, MD, scheduled lor occupancy by CSTL in January 1999- Any mention ol commercial products is lor inxormation only. It does not imply recommendation or endorsement by tne National Institute ol Standards and Technology nor does it implv tbat tne materials or equipment mentioned are necessarib the best available lor this purpose. August 1997 •%r E s o* * U.S. Department oi Commerce William M. Daley, Secretary Technology Administration Gary R. Bachula, Acting Under Secretary ror Technology National Institute oi Standards and Technology Robert E. Hebner, Acting Director National Institute or Standards and Technology Gaithersburg, MD 20899-0001 Tel: (301) 975-2000 Boulder, CO 80303-3328 Tel: (303) 497-3000 «**»• IPpiii ISciuin lt< I£Vr L ' II l£V E L II |«- 50"< orf^B'J'o l>l.i,- T«-SO-<: or> |<56 EU-. ISC.I.: ■Us feo ita, ■■• "* •' • ^P X NIST Mass Spectral Databas< a? ' — ; I l£G*+ ursx" «< awsr o #" OD :-^ .e"»"'''"" , « MUiM Nisr National Institute of Standards and Technology Gaithersburg, MD 20899-0001 • Tel: (301) 975-2000 Boulder, CO 80303-332 • Tel: (303) 497-3000 August 1997 / ■ **■ i|i . ™ * PENN STATE UNIVERSITY LIBRARIES ADDDD31^E1S3«4