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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

Effect of Partial Charge Calculation Method on Adsorption Thermodynamics in Metal-organic Frameworks

Ongoing

Electrostatic interactions are an important contribution to the interatomic or intermolecular potential energy in any system, whether homogeneous (bulk phase) or heterogeneous (fluid and confining material or multiple fluid phases). This is particularly true for heterogeneous systems in which the

The NIST Chemistry Webbook

Ongoing

Intended Impact It is part of NIST's mission to distribute Standard Reference Data to scientists, engineers, educators, and the general public. The NIST Chemistry WebBook is intended to help fulfill NIST's mission by distributing such data over the Internet. Objective Develop a web site

Modeling Dispersion Rheology for Non-Spherical Particles

Completed

The goal of this MGI project is to establish an interactive database, generated by sophisticated modeling, such as dissipative particle dynamics and smooth particle hydrodynamics, to compute the rheological properties of polymer composites, where interaction among inclusions, inclusion particle

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