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Chemistry

Thermochemical properties

News and Updates

Red fire extinguisher is attached to pipes and hoses inside a vehicle.

NIST Tool Will Help Military Vehicles Fight Fires Using Less Harmful Chemicals

March 2, 2021

Researchers at the National Institute of Standards and Technology (NIST) have developed a new, interactive spreadsheet that will help the U.S. military

Room Temperature Conversion of CO₂ to CO: A New Way to Synthesize Hydrocarbons

November 2, 2020

Researchers at the National Institute of Standards and Technology (NIST) and their colleagues have demonstrated a room-temperature method that could

Vapor-Liquid Equilibria Article- the #1 Most Downloaded paper from the Journal of Chemical & Engineering Data

June 25, 2020

A paper from members of the Applied Chemicals and Materials Division has 762 downloads from the Journal of Chemical & Engineering Data in the last 30 days

Projects and Programs

NCNR DAC and CCUS efforts

Ongoing

Objectives To advance US competitiveness in Direct Air Capture (DAC) and Carbon Capture, Usage, and Sequestration (CCUS) Use advanced neutron scattering techniques to understand the adsorption process for the most promising materials for adsorption-based carbon capture and provide avenues to

Understanding Confined Fluids using Theory, Simulation, and Data-Driven Methods

Ongoing

The most promising materials for capturing CO 2 (or other greenhouse gases like CH 4 ) from air or flue gas possess a large internal surface area per unit mass because they are composed of pores with diameters in the range of tens-to-hundreds of nanometers. Collectively referred to as mass

Evolution of Flat-histogram Monte Carlo Simulation

NIST Standard Reference Simulation Website

Ongoing

Molecular simulations, in particular Monte Carlo Molecular Simulation and Molecular Dynamics Simulation, are methods for computing the properties of some kind of system, for which the intermolecular interactions are specified via mathematical relationships derived from statistical mechanics. Since

A stainless steel micro tensile specimen in a silicon frame.

Microsystems for Harsh Environment Testing

Completed

Classically, measurement of the mechanical properties and reliability of bulk-scale materials is performed with macroscopic specimens and methods. Specimen preparation limitations, miniaturized load-frame tooling problems, and inadequate understanding of the roles of specimen size and constraint on

Publications

Binary Metal-Carbon Phase-Transition Temperatures

February 29, 2024

Author(s)

Donald R. Burgess Jr.

In this work, we compiled and evaluated eutectic and peritectic phase-transition temperatures for metal-carbon (e.g., Co-C, Re-C) and metal carbide-carbon

Correlating Near-Infrared Spectra to Bulk Properties in Polyolefins

February 28, 2024

Author(s)

Bradley Sutliff, Shailja Goyal, Tyler Martin, Peter Beaucage, Debra Audus, Sara Orski

The industry standard for sorting plastic wastes is near-infrared (NIR) spectroscopy, which offers rapid and nondestructive identification of various plastics

Differential scanning calorimetry (DSC): An important tool for polymer identification and characterization of plastic marine debris

February 19, 2024

Author(s)

Jennifer Lynch, Raquel Corniuk, Kayla C. Brignac, Melissa Jung, Joelle Marchiani, Wanda Weatherford

Differential scanning calorimetry (DSC), a routine thermoanalytical method in material science, is gaining utility in plastic pollution research to improve

Thermal Conductivity of Liquid trans-1,2-Dichloroethene (R-1130(E)): Measurement and Modeling

February 12, 2024

Author(s)

Karim Al-Barghouti, Aaron Rowane, Ian Bell, Marcia L. Huber, Richard A. Perkins

The thermal conductivity of liquid trans-1,2-dichloroethene (R-1130(E)) was measured at temperatures ranging from 240 K to 340 K and pressures up to 25 MPa

Tools and Instruments

Nanocalorimeter Measurement System

This Nanocalorimeter Measurement System is used for nanocalorimetry measurements at fast heating rates (100 °C/s to 100,000 °C/s) and measurements of samples