Projects/Programs

Displaying 1 - 14 of 14

Artificial Intelligence for Chemical Manufacturing

Ongoing

The chemical manufacturing design process relies heavily on the recommended values that engineers and researchers usually obtain from handbooks and databases. Those sources often lack easy ways to judge the reliability of information, either in the sense of where the data come from or what the

Chemical Foundations for a Cannabis Breathalyzer

Ongoing

NIST's initial work in cannabis science was a series of measurements of the vapor pressure of two important cannabinoids: delta-9-tetrahydrocannabinol (THC) and cannabidiol (CBD). Our current effort is funded in part by interagency agreements with the National Institute of Justice and by the NIST

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

Ongoing

Electrostatic interactions are an important contribution to the interatomic or intermolecular potential energy in any system, whether homogeneous (bulk phase) or heterogeneous (fluid and confining material or multiple fluid phases). This is particularly true for heterogeneous systems in which the

Gas properties for flow metering

Ongoing

NIST has two on-line databases that include accurate gas viscosity values: SEMIPROP - NIST Standard Reference Database 134 - for selected semiconductor process gases NIST Chemistry WebBook - for heat transfer fluids, components of air, components of natural gas [Note: as of February 2014, the NIST

Identification, Suitability Testing, and Property Determination from Untargeted Measurements

Ongoing

In many applications, detailed knowledge of a fluid mixture’s physical behavior is needed. This can include physical properties such as viscosity and qualitative properties such as solubility. For instance, a dissolved polymer may suddenly precipitate out of solution when exposed to saline, and if

A stainless steel micro tensile specimen in a silicon frame.

Microsystems for Harsh Environment Testing

Completed

Classically, measurement of the mechanical properties and reliability of bulk-scale materials is performed with macroscopic specimens and methods. Specimen preparation limitations, miniaturized load-frame tooling problems, and inadequate understanding of the roles of specimen size and constraint on

Modeling Dispersion Rheology for Non-Spherical Particles

Completed

The goal of this MGI project is to establish an interactive database, generated by sophisticated modeling, such as dissipative particle dynamics and smooth particle hydrodynamics, to compute the rheological properties of polymer composites, where interaction among inclusions, inclusion particle

Multiscale structure and dynamics in advanced technological materials

Ongoing

New technologies increasingly harness materials phenomena that operate across many length-scales: e.g., in selective gas adsorption, additive manufacturing, new alloy designs, or advanced concretes. To overcome technology barriers, it is no longer sufficient just to characterize the materials

NCNR DAC and CCUS efforts

Ongoing

Objectives To advance US competitiveness in Direct Air Capture (DAC) and Carbon Capture, Usage, and Sequestration (CCUS) Use advanced neutron scattering techniques to understand the adsorption process for the most promising materials for adsorption-based carbon capture and provide avenues to

The NIST Chemistry Webbook

Ongoing

Intended Impact It is part of NIST's mission to distribute Standard Reference Data to scientists, engineers, educators, and the general public. The NIST Chemistry WebBook is intended to help fulfill NIST's mission by distributing such data over the Internet. Objective Develop a web site

Evolution of Flat-histogram Monte Carlo Simulation

NIST Standard Reference Simulation Website

Ongoing

Molecular simulations, in particular Monte Carlo Molecular Simulation and Molecular Dynamics Simulation, are methods for computing the properties of some kind of system, for which the intermolecular interactions are specified via mathematical relationships derived from statistical mechanics. Since

Polymer Formulations

Completed

Bringing new and optimized formulated products to market requires measurements that will allow rapid assessment of the structure and properties of multicomponent mixtures over large parameter spaces. To this end, we are developing microfluidic "lab on a chip" technologies that enable researchers to

Standards Development to Ensure Reliable Breath Analysis in the Field

Ongoing

Numerous volatile organic compounds (VOCs) have been identified in human breath. These compounds can be produced by the body or by organisms in the body (e.g., bacteria or viruses) and provide a non-invasive window into human health. Inexpensive point-of-care devices are being developed to diagnose

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

Ongoing

The most promising materials for capturing CO 2 (or other greenhouse gases like CH 4 ) from air or flue gas possess a large internal surface area per unit mass because they are composed of pores with diameters in the range of tens-to-hundreds of nanometers. Collectively referred to as mass

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