Chemical thermodynamics & chemical properties

News and Updates

Reliable Flow for Chip Makers

December 13, 2022

Researchers at the National Institute of Standards and Technology (NIST) have begun an ambitious project to attack a vexing problem in the semiconductor

Cheryle Beuning poses in front of scientific equipment, wearing safety goggles.

Spotlight: Understanding the Chemical Compounds in Cannabis

February 16, 2021

Keeping you safe with cutting-edge forensic science — NIST postdoctoral researcher Cheryle Beuning is part of a joint effort with the University of Colorado

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

Projects and Programs

NCNR DAC and CCUS efforts

Ongoing

Overview Capture of carbon dioxide from the air (direct air capture; DAC) combined with energy efficiency and carbon capture, utilization and storage (CCUS)

Measuring Intermolecular Interactions with Electro-Acoustic Spectroscopy

Ongoing

NIST’s Material Measurement Laboratory and Communications Technology Laboratory are developing a new spectroscopy for intermolecular interactions. The team is

Autonomous Materials Science

Ongoing

We use autonomous experimentation (the merger of automated synthesis, characterization, AI-driven decision-making) to elucidate the role of composition

Vapor Sampling to Support Public Safety and Forensics

Ongoing

We develop and evaluate dynamic headspace sampling methods to capture and concentrate vapors from single components (solid or liquid) to determine vapor

Publications

Reference materials for phase equilibrium studies. 2. Solid–liquid equilibria (IUPAC Technical Report)

January 11, 2023

Author(s)

Ala Bazyleva, William E. Acree, Vladimir Diky, Glenn T. Hefter, Johan Jacquemin, M. Clara F. Magalhães, Joe W. Magee, Kirk Nordstrom, John O'Connell, James D. Olson, Ilya Polishuk, Kurt A. G. Schmidt, John M. Shaw, J. P. Martin Trusler, Ronald D. Weir

This article is the second of three projected IUPAC Technical Reports on reference materials for phase equilibrium studies. The goal of this project was to

Entropy Scaling of Viscosity for Molecular Models of Molten Salts

January 9, 2023

Author(s)

Jeffrey Young, Ian Bell, Allan H. Harvey

Entropy scaling relates dynamic and thermodynamic properties by reducing the viscosity to be a function of only the residual entropy. Molecular simulations are

Report Experimental Data Effectively

October 1, 2022

Author(s)

John O'Connell, Vladimir Diky, Ala Bazyleva

Research, design, and simulation require reliable and accurate data. Use these principles and best practices for reporting experimental results.

Effect of network connectivity on behavior of synthetic Broborg Hillfort glasses

September 2, 2022

Author(s)

José Marcial, Maria Cicconi, Carolyn Pearce, Jaroslav Kloužek, James Neeway, Richard Pokorny, Miroslava Vernerova, John McCloy, Emily Nienhuis, Rolf Sjoblom, Jamie Weaver, Russell Hand, Pavel Hrma, Albert Kruger

There is wide industrial interest in developing robust models of long-term (>100years) glass durability. Archeological glass analogs, glasses of similar

Tools and Instruments

Material Analysis Using Neutron Depth Profiling

Light elements such as helium, lithium, boron, and nitrogen are essential constituents in materials that enable energy technologies; lithium ion batteries

Awards

Mark McLinden Honored by Institute of Refrigeration

Dr. McLinden is cited for “applying state-of-the-art thermodynamic property tools to address a key challenge facing the industry, namely the