Chemical engineering & processing

News and Updates

This Simple Material Could Scrub Carbon Dioxide From Power Plant Smokestacks

November 2, 2022

An easily synthesized chemical filter could stop the greenhouse gas from reaching the atmosphere.

A woman (Callie Higgins) stands in front of a piece of photopolymerization equipment.

NIST’s Callie Higgins Wins Service to America Medal

October 28, 2021

Callie I. Higgins, a materials research engineer at the National Institute of Standards and Technology (NIST), has won the Samuel J. Heyman Service to America

A woman wearing safety glasses and a face mask poses with chemistry equipment in the background.

Spotlight: Ashlee Aiello and the Challenge of Cotton

September 28, 2021

The touch, the porosity of cotton, the biopolymer of postdoctoral associate Ashlee Aiello’s life. Cotton is the most abundant biopolymer (naturally produced

Events

Workshop on Standards for Microphysiological Systems/Organ-Tissue on a Chip 2023

Thu, Apr 27 - Fri, Apr 28 2023

The Organ/Tissue on a Chip Engineering Standards Working Group will hold their first In-Person Workshop on April 27 & 28

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)

Understanding Confined Fluids using Theory, Simulation, and Data-Driven Methods

Ongoing

Theory and simulation are used to advance our understanding of pure and multicomponent fluids confined in tight spaces, such as the pores of a zeolite, metal

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

Ongoing

In classical molecular simulations, electrostatic contributions to the potential energy are typically accounted for by assigning partial charges to some or all

Acoustic Techniques in Fluid Metrology

Ongoing

The Fluid Metrology Group leads the world in designing and using gas-filled acoustic resonators for measuring the thermodynamic temperature T, the Boltzmann

Publications

Superancillary Equations for Nonpolar Pure Fluids Modeled with the PC-SAFT Equation of State

January 23, 2023

Author(s)

Ian Bell, Ulrich Deiters

Superancillary equations are presented for the PC-SAFT equation of state of Gross and Sadowski for nonpolar pure fluids. The equations cover the range of a

Linking viscosity to equation of state using residual entropy scaling theory

October 13, 2022

Author(s)

Xiaoxian Yang, Xiong Xiao, Monika Thol, Markus Richter, Ian Bell

In our previous work, a residual entropy scaling (RES) approach was developed to link viscosity to residual entropy (a thermodynamic property calculated with an

Temperature Extrapolation of Henry's Law Constants and the Isosteric Heat of Adsorption

September 28, 2022

Author(s)

Daniel Siderius, Harold Hatch, Vincent K. Shen

Computational screening of adsorbent materials often uses the Henry's law constant ($\KH$) (at a particular temperature) as a first discriminator metric due to

Off-spec fly ash-based lightweight aggregate properties and their influence on the fresh, mechanical, and hydration properties of lightweight concrete: A comparative study

August 1, 2022

Author(s)

Edward Garboczi, Mohammad Balapour, Mohammad Khaneghahi, Yick Hsuan, Diana Hun, Yaghoob Farnam

In this study, an off-spec fly ash-based spherical lightweight aggregate (LWA), designated SPoRA, was manufactured through a pilot-scale production and its