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Fluid Characterization Group

The Fluid Characterization Group specializes in the development of novel methods for analyzing vapors and fluid mixtures to serve public health and safety, criminal justice, and industry.

The Fluid Characterization Group is part of the Applied Chemicals and Materials Division (ACMD) on the NIST Boulder campus. We develop and validate novel methods, instrumentation, and chemical mixtures to solve multidisciplinary challenges in forensic science, public health and safety, and industry. We are currently focused on improving the metrology associated with clinical and forensic breath tests. This work ranges from fundamental property measurements, such as vapor pressure measurements on target molecules, to application-specific considerations, such as evaluating breath sampling strategies and validating breathalyzer devices. Another important focus area is the measurement of chemical equilibrium by quantitative NMR spectroscopy. Two highlights from this work are novel measurements of vapor-liquid equilibrium with applications to advanced refrigeration and energy distribution and measurements of ion-pairing in solution with applications to battery development and industrial separation processes. We collaborate with computational experts, statisticians, sensor and device developers, public health researchers, and numerous university, industrial and government partners. 

The group’s analytical capabilities include an extensive suite of instrumentation and staff with decades of specialized experience in gas and liquid chromatography, headspace analysis, mass spectrometry, and quantitative nuclear magnetic resonance spectroscopy (NMR). Our NMR Facility includes a high-field (600 MHz) NMR spectrometer with a suite of NMR probes, as well as a benchtop (60 MHz) instrument. We specialize in NMR measurements on liquids and gases over a wide range of temperatures and pressures. We also maintain a Biosafety Level 2 (BSL-2) Facility.

 

News and Updates

Projects and Programs

Chemical Foundations for a Cannabis Breathalyzer

Ongoing
NIST's initial work in cannabis science was a series of measurements of the vapor pressure of two important cannabinoids: delta-9-tetrahydrocannabinol (THC) and cannabidiol (CBD). Our current effort is funded in part by interagency agreements with the ational Institute of Justice and by the NIST

Vapor Sampling to Support Public Safety and Forensics

Ongoing
Vapor pressures of unstable, reactive compounds. Over the last decade, our group has investigated a variety of low-volatility compounds including taggants (found in explosives), biofuels, terpenes and cannabinoids. Dynamic vapor microextraction (DVME), developed at NIST, is a small-volume dynamic

Fluid Phase Nuclear Magnetic Resonance (NMR) Spectroscopy

Ongoing
In-situ vapor-liquid equilibrium (VLE). We are applying vapor-phase NMR to measure VLE in-situ. We are currently applying this methodology to industrially important systems such as refrigerants and natural gas. The most widely used refrigerants have high global warming potential. Drop-in

Renewable Energy and Fuels

Ongoing
Fuel volatility and chemical characterization. We specialize in the Advanced Distillation Curve (ADC) method , developed at NIST, which is a powerful tool for the measurement of distillation curves to characterize complex fluids. We have applied this to simple hydrocarbons, gasolines, diesel fuels

NIST Tools for Cannabis Laboratory Quality Assurance

Ongoing
Since the 1970s, cannabis (marijuana and hemp) and its constituent, Δ 9-tetrahydrocannabinol or THC, have been classified as Schedule I controlled substances. Seized evidence is tested by forensic laboratories, which verify the identity of the plant through macro- and microscopic evaluation and the

Measuring Intermolecular Interactions with Electro-Acoustic Spectroscopy

Ongoing
We have a number of opportunities to collaborate with us. See below for details. What does this project aim to do for the chemical industry? Many industrial processes depend on the intermolecular environment- the solvents and ions that surround a molecule. These interactions impact separations

Awards

Publications

NMR Spectroscopy and Multiscale Modeling Shed Light on Ion–Solvent Interactions and Ion Pairing in Aqueous NaF Solutions

Author(s)
Gosia Musial, Demian Riccardi, Chris Suiter, Ethan Sontarp, Samantha Miller, Robert Lirette, Kyle Covington-Rehmeier, Avik Mahata, Chris Muzny, Angela Stelson, Kathleen Schwarz, Jason A. Widegren
The balance between ion solvation and ion pairing in aqueous solutions modulates chemical and physical processes from catalysis to protein folding. Yet, despite

Staff

NamePhone NumberEmail
Tara Lovestead(303) 497-5614tara.lovestead [at] nist.gov (tara[dot]lovestead[at]nist[dot]gov)
Jennifer (Jenny) Berry(303) 497-7033jennifer.berry [at] nist.gov (jennifer[dot]berry[at]nist[dot]gov)
Kavita Jeerage(303) 497-4968kavita.jeerage [at] nist.gov (kavita[dot]jeerage[at]nist[dot]gov)
Samantha (Sam) Miller samantha.miller [at] nist.gov (samantha[dot]miller[at]nist[dot]gov)
Chris Suiter(303) 497-4027chris.suiter [at] nist.gov (chris[dot]suiter[at]nist[dot]gov)
Jason Widegren(303) 497-5207jason.widegren [at] nist.gov (jason[dot]widegren[at]nist[dot]gov)
Nathan Bryant(303) 497-6202nathan.bryant [at] nist.gov (nathan[dot]bryant[at]nist[dot]gov)
Kimberly Urness(303) 497-3383kimberly.urness [at] nist.gov (kimberly[dot]urness[at]nist[dot]gov)
Malgorzata (Gorza) Musial(303) 497-4598malgorzata.musial [at] nist.gov (malgorzata[dot]musial[at]nist[dot]gov)


Alumni 

 

NamePhone NumberEmail
Cheryle Beuning (Guest Researcher)(303) 497-3383cheryle.beuning [at] nist.gov (cheryle[dot]beuning[at]nist[dot]gov)
Adam Broerman  
Megan Harries  mharries [at] nas.edu (mharries[at]nas[dot]edu) (Program Officer for the Chemical Sciences and Technology at NASEM)
Michael Sartini  
Kyle Covington kyle.covington [at] nist.gov (kyle[dot]covington[at]nist[dot]gov)
Adam Friss adam.friss [at] nist.gov (adam[dot]friss[at]nist[dot]gov)
Zack Fishman  zack.fishman [at] nist.gov (zack[dot]fishman[at]nist[dot]gov)
Katherine Zink  katherine.zink [at] nist.gov (katherine[dot]zink[at]nist[dot]gov)

 

 

 

Contacts

Group Leader