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

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

In Situ Characterization of Nanoscale Gas-Solid Interactions by TEM

Observing and measuring the dynamic changes that take place at the nanometer scale during the synthesis and operation of active nanostructures is vital for

The NIST Chemistry Webbook

The NIST Chemistry WebBook is a site on the Internet (http://webbook.nist.gov/) that provides convenient access to a variety of physical and chemical property

Publications

Entropic-based separation of diastereomers. Size-exclusion chromatography with on-line viscometry and refractometry detection for analysis of blends of mannose and galactose methyl-alpha-pyranosides at "ideal" size-exclusion conditions

January 11, 2021

Author(s)

Andre M. Striegel, Steven Trainoff

TThe separation of carbohydrate diastereomers by an ideal size-exclusion mechanism, i.e., in the absence of enthalpic contributions to the separation, can be

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

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...