Chemical thermodynamics & chemical properties

News and Updates

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

American Chemical Society highlights NIST paper with Editor’s Choice Award

June 26, 2019

A recent manuscript published in the ACS journal Energy & Fuels was selected for the Editor’s Choice Award, which is given to just one paper every day across

Researchers Explore Energy-saving Catalysts that Operate at Room Temperature

April 15, 2019

NIST researchers have explored in unprecedented detail a new breed of catalysts that allow some chemical reactions, which normally require high heat, to proceed

Projects and Programs

Electric-acoustic spectroscopy for intermolecular interactions in solution

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

Autonomous Materials Science

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

Vapor Sampling in the Field

We develop and deploy portable vapor sampling instruments to collect detailed chemical information in the field, in sampling situations where the laboratory is

Autonomous Systems for Materials Research and Metrology: Accelerating Discovery and Democratizing Science

We are developing novel machine learning algorithms and incorporating them into closed-loop autonomous systems to accelerate knowledge capture in the lab and in

Publications

Study of the Reactions of OH with HCl, HBr, and HI between 298 K and 460 K.

November 25, 2020

Author(s)

Vladimir L. Orkin, Victor Khamaganov, Igor Larin

The reactions between OH radicals and hydrogen halides (HCl, HBr, HI) have been studied between 298 K to 460 K by using a discharge flow electron paramagnetic

Unphysical critical curves of binary mixtures predicted with GERG models

October 19, 2020

Author(s)

Ian H. Bell, Ulrich K. Deiters

When applied to asymmetric binary mixtures (e.g., methane + pentane or heavier alkanes, hydrogen-containing mixtures), the GERG equation of state (GERG-2004 or

Extrapolation And Interpolation Strategies For Efficiently Estimating Structural Observables As a Function Of Temperature And Density

October 8, 2020

Author(s)

Jacob I. Monroe, Harold Wickes Hatch, Nathan NMN Mahynski, M. Scott Shell, Vincent K. Shen

Thermodynamic extrapolation has previously been used to predict arbitrary structural observables in molecular simulations at temperatures (or relative chemical

High-density polyethylene - an inert additive with stabilizing effects on organic field-effect transistors

September 11, 2020

Author(s)

Alberto Scaccabarozzi, James Basham, Liyang Yu, Paul Westcott, Weimin Zhang, Aram Amassian, Iain McCulloch, Mario Caironi, David J. Gundlach, Natalie Stingelin

Organic electronics technologies have attracted considerable interest over the last decades and have become promising alternatives to conventional, inorganic

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

The award, given by the Institute of Refrigeration (IoR) in the U.K. and sponsored by J&E Hall International since 1977, recognizes the most...