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

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

Chemical Foundations for a Cannabis Breathalyzer

Founded in 2019, this program was motivated by the rapid decriminalization of adult use and medical use of cannabis by state governments. This has led to

Gas properties for flow metering

Flow meters that rely on measuring the pressure drop across a laminar flow element can be accurately calibrated using a benign surrogate gas (such as helium or

Polymer Formulations

Our goal is to develop combinatorial and high-throughput measurement approaches for rapid characterization of the structure and phase behavior of multicomponent

Publications

Efficient ab initio Estimation of Formation Enthalpies for Organic Compounds: Extension to Sulfur and Critical Evaluation of Experimental Data

September 1, 2021

Author(s)

Eugene Paulechka, Andrei F. Kazakov

The efficient protocol for estimation of gas-phase enthalpies of formation developed previously for C, H, O, N, and F elements was extended to sulfur. The

On good reporting practices for property measurements

July 19, 2021

Author(s)

Ala Bazyleva, John P. O’Connell

N/A

Good reporting practice for thermophysical and thermochemical property measurements (IUPAC Technical Report)

April 16, 2021

Author(s)

Ala Bazyleva, Jens Abildskov, Andre Anderko, Olivier Baudouin, Yury Chernyak, Jean-Charles de Hemptinne, Vladimir Diky, Ralf Dohrn, J. R. Elliott, Johan Jacquemin, Jean-Noel Jaubert, Kevin Joback, Ursula Kattner, Georgios Kontogeorgis, Herbert Loria, Paul M. Mathias, John O'Connell, Wolffram Schroer, G. J. Smith, Ana Soto, Shu Wang, Ronald D. Weir

Scientific projects frequently involve measurements of thermophysical, thermochemical, and other related properties of chemical compounds and materials. These

Evaluation of Experimental and Predicted Vapor-Liquid Equilibrium Data for Systems Relevant to Biomass Fast Pyrolysis and Catalytic Upgrading

March 29, 2021

Author(s)

Eugene Paulechka, Vladimir Diky, Abhijit Dutta

The experimental vapor-liquid equilibrium (VLE) data for the binaries relevant to the catalytic fast pyrolysis of biomass have been collected and analyzed using

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