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Chemical Engineering & Processing Programs & Projects

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Affect of Partial Charge Calculation Method on Adsorption Thermodynamics
Last Updated Date: 09/30/2014

In classical molecular simulations, electrostatic contributions to the potential energy are typically accounted for by assigning partial charges … more

NIST Standard Reference Simulation Website
Last Updated Date: 09/24/2014

The Standard Reference Simulation Website is an ongoing project whose aim is to provide well-documented simulation results for a variety of … more

COMPLETED: Nanoscale Thermal Properties Project
Last Updated Date: 09/05/2014

Our goal is to develop measurement techniques to characterize the changes in thermal transport and thermal transition temperatures in polymeric … more

Far-infrared Spectroscopy of Biomolecules
Last Updated Date: 07/11/2014

Far-infrared (or terahertz/THz, ca. 25 to 300 micron wavelength) femtosecond pulsed laser and Fourier-transform infrared methods are employed to … more

Crystallographic Databases
Last Updated Date: 05/21/2014

Components and devices used in a broad spectrum of technology sectors such as health care, communications, energy and electronics are manufactured … more

3D Tissue Scaffolds
Last Updated Date: 05/15/2014

Our goal is to develop advanced measurement tools and standards for measuring scaffold properties and their impact on biological response.  

Gas properties for flow metering
Last Updated Date: 04/30/2014

Flow meters that rely on measuring the pressure drop across a laminar flow element can be accurately calibrated using a benign surrogate gas (such … more

Membranes for Clean Water
Last Updated Date: 04/18/2014

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COMPLETED: Polymer Formulations
Last Updated Date: 04/17/2014

Our goal is to develop combinatorial and high-throughput measurement approaches for rapid characterization of the structure and phase behavior of … more

Web Force-Field (WebFF) - A Smart Force Field Repository for Soft Materials
Last Updated Date: 04/17/2014

As part of our mission to support the Materials Genome Initiative (MGI), we are developing data repositories and tools that support Integrated … more

Modeling Dispersion Rheology for Non-Spherical Particles
Last Updated Date: 04/16/2014

The flow of polymer composites via injection molding, spraying or spreading on surfaces is crucial to polymer composite manufacturing. For … more

Transient Flow Facility
Last Updated Date: 04/04/2014

Today, demonstration vehicles are refueled with hydrogen from dispensers within 3 to 5 minutes using sequential gas releases from a bank of … more

Smoke Stack Simulator
Last Updated Date: 03/11/2014

Today, inconsistencies between measured CO 2 emissions and emissions calculated from coal consumption are on the order of 10% to 20%. Either a … more

Acoustic Techniques in Fluid Metrology
Last Updated Date: 03/11/2014

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

Understanding Flow Meters
Last Updated Date: 03/10/2014

Accurate flow measurements are needed for test fluids, temperatures, pressures, flows, and installation conditions that differ from those used … more

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