Projects/Programs

Displaying 1 - 24 of 24

Analysis and Modeling of Atmospheric Particles to Assess Effects on Climate

Ongoing

Spectral data from satellite and ground-based remote sensing instruments are used to monitor the effects of atmospheric aerosols on climate. Determinations of how aerosols interact with sunlight or infrared radiation from Earth’s surface rely upon an aerosol model that approximates the sizes, shapes

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

Autonomous Scanning Droplet Cell

Ongoing

Corrosion impacts a broad spectrum of application areas including infrastructure, transportation, and the military. The annual price tag for corrosion mitigation and remediation is 3.4 % of the US GDP. The team is particularly interested in discovering new metallic glasses (metals without long range

$Autonomous materials metrology diffraction measurement performed at SLAC$

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

Ongoing

Materials scientists often need to search high dimensional spaces for knowledge. For example, a scientist may be interested in learning how a material property (e.g. hardness) changes over many (for example, 10) values of a synthesis or processing parameter (e.g., annealing temperature). Such an

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 ational Institute of Justice and by the NIST

Connecting Thermodynamic and Dynamic Properties of Bulk and Confined Fluids

Ongoing

The dynamic properties of bulk fluids remain a challenge to predict. Predicting the dynamic properties of confined fluids represents a greater scientific and engineering challenge. Developing simple heuristics or even robust correlations will be helpful in developing and understanding technologies

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

Fluid Phase Nuclear Magnetic Resonance (NMR) Spectroscopy

Ongoing

In-situ vapor-liquid equilibrium (VLE). We are applying vapor-phase NMR to measure VLE in-situ. We are currently applying this methodology to industrially important systems such as refrigerants and natural gas. The most widely used refrigerants have high global warming potential. Drop-in

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

Machine Learning Fluid Equations of State

Ongoing

Understanding the thermodynamic properties of fluids and fluid mixtures is of central importance in many fields of science and engineering ranging from medicine to consumer products. The nature of the particles in a fluid can vary greatly depending on the type of interactions present, e.g., dipole

Measuring Intermolecular Interactions with Electro-Acoustic Spectroscopy

Ongoing

We have a number of opportunities to collaborate with us. See below for details. What does this project aim to do for the chemical industry? Many industrial processes depend on the intermolecular environment- the solvents and ions that surround a molecule. These interactions impact separations

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

Nanocalorimetry Measurements

Ongoing

Accurate thermodynamic measurements are essential to understand fundamental properties of materials, providing direct and quantifiable insight into the thermodynamics of thin film reactions and phase transitions. Going forward, new classes of materials may only be synthesized as thin films, a scale

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

Conceptual Art of Gas Molecules Adsorbed in a Zeolite Adsorbent

NIST Data Resources for Adsorption

Ongoing

NIST/ARPA-e Database of Novel and Emerging Adsorbent Materials A centralized resource for the scientific community to find and compare single- and multi-component adsorption isotherms reported in the literature. The database sorts data according to adsorbent material, adsorbate species

NIST Ocean Carbon Measurements

Ongoing

NIST is committed to sustaining the quality of ocean carbon measurements by developing capabilities to provide certified reference materials for the ocean carbonate system measurements and by conducting research to understand fundamental elements of the ocean carbon thermodynamic system. NIST Ocean

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

Renewable Energy and Fuels

Ongoing

Fuel volatility and chemical characterization. We specialize in the Advanced Distillation Curve (ADC) method , developed at NIST, which is a powerful tool for the measurement of distillation curves to characterize complex fluids. We have applied this to simple hydrocarbons, gasolines, diesel fuels

In Situ Characterization of Nanoscale Gas-Solid Interactions by TEM

Ongoing

Catalysis is integral to a wide variety of processes throughout the chemical industry, and recently has become an important route to synthesizing one-dimensional (1-D) nanomaterials, including carbon nanotubes and nanowires. However, observing and measuring the reaction kinetics of such catalytic

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

Vapor Sampling in the Field

Ongoing

Breath sampling of cannabis users. Several versions of breath collection devices are being marketed for the detection of THC (delta-9-tetrahydrocannabinol) in the breath of cannabis users. THC is not directly correlated to intoxication but may indicate recent smoking or vaping. THC and other

Vapor Sampling to Support Public Safety and Forensics

Ongoing

Vapor pressures of unstable, reactive compounds. Over the last decade, our group has investigated a variety of low-volatility compounds including taggants (found in explosives), biofuels, terpenes and cannabinoids. Dynamic vapor microextraction (DVME), developed at NIST, is a small-volume dynamic

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----Chemical Sciences Division - HQ
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---Quantum Measurement Division
----Quantum Optics Group
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----Device Fabrication Group
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----Atom Scale Device Group
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---Physical Measurement Laboratory Office
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