Chemical Science and Technology Chemical Science and Technology Laboratory OverviewLaboratory Overview

Process Analytical Technologies Process Analytical Technologies Subcommittee MeetingSubcommittee Meeting

June 12 – 13, 2002June 12 – 13, 2002Rockville, MDRockville, MD

Chemical Science and Technology Laboratory

James Whetstone, ChiefProcess Measurements Division

Chemical Science and Technology Laboratory

NIST Vision …NIST Vision … is to be the global leader in measurement and enabling technology, delivering outstanding value to the nation.

NIST Mission … NIST Mission … is to develop and promote measurement, standards, and technology to enhance productivity, facilitate trade, and improve the quality of life.

Core Values:Core Values:• People … we respect, value and support each other in all our activities.• Integrity … we are objective, ethical, and honest.• Customer focus …we anticipate the needs of our customers and are

committed to meeting or exceeding their expectations.• Excellence … we expect world-class performance and continuous

improvement in all we do.

NIST … enabling a better futureNIST … enabling a better future

Chemical Science and Technology Laboratory

Improving the Economy:Refrigerants Automobiles

…working with U.S. Industry

Electric Power

Information & SemiconductorTechnology Cell Phones

Improving the Quality of Life:

Medical Tests

Mammography

Cancer Treatment

Smoke Detectors

Body Armor

Dentistry

Chemical Science and Technology Laboratory

National Institute of Standards and TechnologyNational Institute of Standards and Technology

Electronics andElectrical

EngineeringLaboratory

Electronics andElectrical

EngineeringLaboratory

Wm. Anderson Wm. Anderson

Chemical Scienceand Technology

Laboratory

Chemical Scienceand Technology

Laboratory

Hratch SemerjianHratch Semerjian

Materials Scienceand Engineering

Laboratory

Materials Scienceand Engineering

Laboratory

Leslie SmithLeslie Smith

InformationTechnologyLaboratory

InformationTechnologyLaboratory

Susan Zevin (Act.)Susan Zevin (Act.)

ManufacturingEngineeringLaboratory

ManufacturingEngineeringLaboratory

Dale Hall Dale Hall

PhysicsLaboratory

PhysicsLaboratory

Katharine GebbieKatharine Gebbie

Building and FireResearch

Laboratory

Building and FireResearch

Laboratory

Jack SnellJack Snell

Boulder LaboratoriesBoulder Laboratories

VacantVacant

DirectorDirectorArden BementArden Bement

DirectorDirectorArden BementArden Bement

Deputy DirectorDeputy DirectorKaren BrownKaren Brown

Deputy DirectorDeputy DirectorKaren BrownKaren Brown

National QualityProgram

National QualityProgram

Harry HertzHarry Hertz

TechnologyServices

TechnologyServices

Richard KayserRichard Kayser

AdvancedTechnology

Program

AdvancedTechnology

Program

Marc Stanley (Act.)Marc Stanley (Act.)

ManufacturingExtension

Partnership

ManufacturingExtension

Partnership

Kevin CarrKevin Carr

Jorge UrrutiaJorge Urrutia

Director forAdministration

Chemical Science and Technology Laboratory

National Institute of Standards and TechnologyNational Institute of Standards and Technology

Electronics andElectrical

EngineeringLaboratory

Electronics andElectrical

EngineeringLaboratory

Wm. Anderson Wm. Anderson

Chemical Scienceand Technology

Laboratory

Chemical Scienceand Technology

Laboratory

Hratch SemerjianHratch Semerjian

Materials Scienceand Engineering

Laboratory

Materials Scienceand Engineering

Laboratory

Leslie SmithLeslie Smith

InformationTechnologyLaboratory

InformationTechnologyLaboratory

Susan Zevin (Act.)Susan Zevin (Act.)

ManufacturingEngineeringLaboratory

ManufacturingEngineeringLaboratory

Dale Hall Dale Hall

PhysicsLaboratory

PhysicsLaboratory

Katharine GebbieKatharine Gebbie

Building and FireResearch

Laboratory

Building and FireResearch

Laboratory

Jack SnellJack Snell

Boulder LaboratoriesBoulder Laboratories

VacantVacant

DirectorDirectorArden BementArden Bement

DirectorDirectorArden BementArden Bement

Deputy DirectorDeputy DirectorKaren BrownKaren Brown

Deputy DirectorDeputy DirectorKaren BrownKaren Brown

National QualityProgram

National QualityProgram

Harry HertzHarry Hertz

TechnologyServices

TechnologyServices

Richard KayserRichard Kayser

AdvancedTechnology

Program

AdvancedTechnology

Program

Marc Stanley (Act.)Marc Stanley (Act.)

ManufacturingExtension

Partnership

ManufacturingExtension

Partnership

Kevin CarrKevin Carr

Jorge UrrutiaJorge Urrutia

Director forAdministration

Chemical Science and Technology Laboratory

CSTL MissionCSTL MissionAs the Nation’s Reference Laboratory, CSTL’s Mission 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 VisionCSTL Vision

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.

Chemical Science and Technology Laboratory

CSTL GoalsCSTL Goals

Measurement Standards 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 InformationAssure that U.S. industry has access to accurate and reliable data and predictive models to determine the chemical and physical properties of materials and processes

Measurement ScienceAnticipate and address next generation measurement needs of the nation, by performing cutting-edge research

Chemical Science and Technology Laboratory

CHEMICAL SCIENCE AND TECHNOLOGY LABORATORY

CHEMICAL SCIENCE AND TECHNOLOGY LABORATORY

Hratch G. Semerjian, DirectorWilliam F. Koch, Deputy Director

• Atmospheric Chemistry

• Microanalysis Research

• Surface & Interface Research

• Analytical Microscopy

Surface & Microanalysis

ScienceR. Cavanagh, Chief

Surface & Microanalysis

ScienceR. Cavanagh, Chief

• Experimental Kinetics & Thermodynamics

• Chemical Reference Data & Modeling

• Computational Chemistry

• Experimental Properties of Fluids

• Theory & Modeling of Fluids

• Cryogenic Tech.

Physical & Chemical Properties

M. Haynes, Chief

Physical & Chemical Properties

M. Haynes, Chief

• Spectrochemical Methods

• Organic Analytical Methods

• Gas Metrology & Classical Methods

• Molecular Spectroscopy & Microfluidic Methods

• Nuclear Methods

Analytical Chemistry

W. May, Chief

Analytical Chemistry

W. May, Chief

• Fluid Flow• Fluid Science• Process Sensing• Thermometry• Pressure and Vacuum• Thermal and Reactive Processes

Process Measurements

J. Whetstone, Chief

Process Measurements

J. Whetstone, Chief

Biotechnology

V. Vilker, Act. Chief

Biotechnology

V. Vilker, Act. Chief

• DNA Technologies• Bioprocess Engineering

• Structural Biology• Biomolecular Materials

Organized by Discipline …

Chemical Science and Technology Laboratory

CSTL ProgramsCSTL ProgramsTransportation

Energy Systems

Biotechnology

Nanotechnology

Healthcare

Environmental Technologies

Microelectronics

Data and Informatics

Biomaterials

Forensics

International Measurement Standards

Chemical and Allied Products

Industrial and Analytical Instrument Services

Ener gy System s

Food and Nutrition

… Focused by Customer-Driven Programs

Chemical Science and Technology Laboratory

CSTL FacilitiesCSTL Facilities

CARBCARB

ACSLACSL

NIST BoulderNIST Boulder

NIST CharlestonNIST Charleston

Chemical Science and Technology Laboratory

CSTL Activities Impacting Process CSTL Activities Impacting Process Analytical & Process MeasurementsAnalytical & Process Measurements

• Standard Reference Materials Raman Spectroscopy – Intensity Standards Spectrophotometry – Optical Absorbance Standards

• Reference Data NIR Spectral Data Directly Tied to U.S. National Gas

Concentration Standards Mass Spectrometric Database and Spectral Diagnostic

Tools Protein Data Bank – Biomolecular Structures

• Instrument Calibration Services Temperature, Pressure, Vacuum, Humidity, Flowrate,

and Liquid Volume and Density

Chemical Science and Technology Laboratory

Intensity Standards for Raman SpectroscopyIntensity Standards for Raman Spectroscopy

Objective: : Provide (first-ever) standard for intensity and frequency shift of Raman signals

Customers: Instrument mfrs., chemical processing, DoD, DoE, pharmaceutical Industry

Form: Uranyl Silicate Glass standard cuvette geometry

Status:• Evaluated prototype standard

with ASTM Committee• First SRM (785 nm) by 9/2002

Next Steps: Develop additional SRMs (488, 514.5, 533, 633, 1064 nm)

nm

500 525 550 575 600 625Broadband fluorescence from uranyl silicate glass

Impacts: These standards will transform Raman from qualitative lab diagnostic into process instrumentation, allowing quantitative comparison of instrument response in differing locations and installations

Chemical Science and Technology Laboratory

NIST Mission … NIST Mission … is to develop and promote measurement, standards, and technology to enhance productivity, facilitate trade, and improve the quality of life.

– Assist Industry and Other Government Agencies to improve measurements, measurement standards, technologies, and practices.

IFPAC 2003 – January 2003

An opportunity to interact with Process Analytical Specialists in a Range of Industrial Applications