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Search Publications by: Jason A. Widegren (Fed)

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Displaying 1 - 25 of 45

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

September 10, 2024
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 more than a century of investigation, quantitative determination of the distribution of ion

Chemical Foundations for a Cannabis Breathalyzer (Final Research Report)

March 1, 2024
Author(s)
Tara Lovestead, Jason A. Widegren, Kavita Jeerage
Our ultimate goal is to support the reliable identification of recent cannabis use by developing an infrastructure for evaluation, calibration, and quality control of cannabis breathalyzers akin to that which exists for alcohol breathalyzers. The primary

High-Pressure Vapor-Liquid Equilibrium Measurements of Methane + Water Mixtures by Nuclear Magnetic Resonance Spectroscopy

October 31, 2023
Author(s)
Samantha Miller, Chris Suiter, Mark O. McLinden, Jason A. Widegren, Nancy Levinger, Bret Windom, Michael Sartini
Accurate vapor-liquid equilibrium (VLE) data are required to predict the condensation of low-volatility components in natural gas pipelines. Here we apply 1H nuclear magnetic resonance (NMR) spectroscopy to measure the VLE of methane + water mixtures at

Rapid Vapor-Collection Method for Vapor Pressure Measurements of Low-Volatility Compounds

November 24, 2020
Author(s)
Jason A. Widegren, Tara Lovestead, Megan Harries, Cheryle Beuning, Bridger L. Johnston
Dynamic vapor microextraction (DVME) is a new method that enables rapid vapor pressure measurements on large molecules with state-of-the-art measurement uncertainty for vapor pressures near 1 Pa. Four key features of DVME that allow for the rapid

Thermophysical Properties of Polyol Ester Lubricants

August 20, 2019
Author(s)
Thomas J. Bruno, Tara Fortin, Marcia L. Huber, Arno D. Laesecke, Eric Lemmon, Elisabeth Mansfield, Mark O. McLinden, Stephanie L. Outcalt, Richard A. Perkins, Kimberly N. Urness, Jason A. Widegren
This report summarizes the results of work performed for the Naval Air Warfare Center Aircraft Division by the National Institute of Standards and Technology (NIST), Applied Chemicals and Materials Division on the properties of polyol ester lubricants

COMPOSITION DETERMINATION OF LOW-PRESSURE GAS-PHASE MIXTURES BY 1H NMR SPECTROSCOPY

March 4, 2019
Author(s)
Chris Suiter, Mark O. McLinden, Thomas J. Bruno, Jason A. Widegren
1H NMR spectroscopy was used to analyze vapor-phase mixtures of methane and propane at low to moderate pressures. The mixtures were prepared gravimetrically and had low uncertainty in their composition. The primary mixture used for this work had a methane

The Use of Antioxidants to Improve Vapor Pressure Measurements on Compounds with Oxidative Instability: Methyl Oleate with tert-Butylhydroquinone

December 19, 2016
Author(s)
Jason A. Widegren, Casey E. Beall, Audrey E. Tolbert, Tara M. Lovestead, Thomas J. Bruno
The vapor pressure (psat) of methyl oleate was measured with and without the addition of 0.2 mass % of the antioxidant stabilizer tert-butylhydroquinone (TBHQ). The measurements were made by the gas saturation method in the temperature range (303.15 to 343

Thermal Decomposition Kinetics of Polyol Ester Lubricants

November 18, 2016
Author(s)
Kimberly N. Urness, Raina V. Gough, Jason A. Widegren, Thomas J. Bruno
Synthetic lubricants are widely used for applications that require high-thermal and oxidative stability. In order to facilitate new designs and applications for these fluids we are measuring a suite of thermophysical and transport properties for lubricant

Direct Measurement of Trace Polycyclic Aromatic Hydrocarbons in Diesel Fuel with 1H and 13C NMR Spectroscopy: Effect of PAH Content on Fuel Lubricity

June 17, 2015
Author(s)
Peter Y. Hsieh, Jason A. Widegren, Andrew Slifka, Andrew J. Hagen, Ronald A. Rorrer
Surface-active trace compounds present in diesel fuels protect pumps and injectors against premature wear through boundary lubrication. Due to the vast number of hydrocarbon compounds found in petroleum distillate fuels, it is difficult to measure the

Thermal Decomposition Kinetics of 1,3,5-Triisopropylcyclohexane

May 29, 2013
Author(s)
Raina V. Gough, Jason A. Widegren, Thomas J. Bruno
Recent surrogate diesel fuel mixture development identified the need for a multiply-substituted, low cetane number, high molecular mass monocycloalkane component. On the basis of a thermophysical property evaluation and prediction, 1,3,5

Chemical and Thermophysical Characterization of 1,3,5-triisopropylcyclohexane

July 17, 2012
Author(s)
Thomas J. Bruno, Tara J. Fortin, Tara M. Lovestead, Jason A. Widegren
The complex nature of finished fuels makes definitive studies on composition and combustion properties very difficult and uncertain. This has led to the adoption of fuel surrogate mixtures in such studies. The development of a surrogate mixture is itself a