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Chemistry

Chemical engineering & processing

Search Publications

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Displaying 76 - 100 of 400

Development and Validation of a Mechanism for Flame Propagation in R-32/Air Mixtures

March 6, 2018
Author(s)
Donald R. Burgess Jr., Jeffrey A. Manion, Robert R. Burrell, Valeri I. Babushok, Michael Hegetschweiler, Gregory T. Linteris
A mechanism for the combustion of the refrigerant R-32 (CH2F2) in air mixtures was developed and validated through comparisons with measured flame speeds for a range of equivalence ratios (0.9 to 1.4) and pressures (1 to 3 bar) using a constant-volume

Implementations of the Tennessee Eastman Process in Modelica

February 22, 2018
Author(s)
Carla Martin-Villalba, Alfonso Urquia, Guodong Shao
The Tennessee Eastman process is a typical industrial process that consists of five main process units: a two-phase reactor where an exothermic reaction occurs, a separator, a stripper, a compressor, and a mixer. This is a nonlinear open-loop unstable

Carbon Nanotube-Based Black Coatings

February 15, 2018
Author(s)
John H. Lehman, Christopher S. Yung, Nathan A. Tomlin, Davis R. Conklin, Michelle S. Stephens
It has been shown that coatings comprised of carbon nanotubes are very black; that is, characterized by low reflectance over a broad wavelength range from the visible to far infrared. Arguably there is no other material that is comparable. This is

A Shock Tube Study of H Addition to Cyclopentene

February 1, 2018
Author(s)
Jeffrey A. Manion, Iftikhar A. Awan
The kinetics of H atom addition to cyclopentene has been studied with a single pulse shock tube at temperatures of (863 to 1167 K) and pressures of (160 to 370) kPa. Hydrogen atoms were generated with thermal precursors in dilute mixtures of cyclopentene

How to extract distributed circuit parameters from the scattering parameters of a transmission line

January 15, 2018
Author(s)
Nathan D. Orloff, Jasper A. Drisko, Angela C. Stelson, Charles A. Little, James C. Booth, Jordi Mateu, Christian J. Long
Distributed circuit parameters parameterize the transmission and reflection off a given transmission line in terms of a distributed resistance, inductance, capacitance, and conductance, which are per unit length frequency dependent quantities. While there

Quantum for Pressure

January 5, 2018
Author(s)
Jay H. Hendricks, Patrick F. Egan, Jacob E. Ricker, Jack A. Stone Jr., Kevin O. Douglass, Gregory F. Strouse
A team of NIST scientists is working to fundamentally change the way that the unit of pressure is realized and disseminated, an effort that will lead to the elimination of mercury barometer pressure standards.

Hybrid Characterization of Nanolitre Dielectric Fluids in a Single Microfluidic Channel up to 110 GHz Song

December 1, 2017
Author(s)
Nathan D. Orloff, Song Liu, James C. Booth, Dylan F. Williams, Dominec Schreurs, Bart Nauwelaers, Iija Oclet, Charles A. Little
In this work, we present a new “hybrid” method for dielectric measurements of nanolitre fluid samples on-wafer. The first part of the hybrid method is a technique which extracts the 4 complex permittivity of the microfluidic channel wall material. The

Quasi-Two-dimensional Phase Transition of Methane Adsorbed in Cylindrical Silica Mesopores

November 29, 2017
Author(s)
Daniel W. Siderius, William P. Krekelberg, Wei-Shan NMN Chiang, Vincent K. Shen, Yun Liu
Using Monte Carlo and molecular dynamics simulations, we examine the adsorption of methane in cylindrical silica mesopores in an effort to understand a possible phase transition of adsorbed methane in MCM-41 and SBA-15 silica that was previously identified

In situ Angstrom-to-Micrometer Characterization of the Structural and Microstructural Changes in Kaolinite on Heating using Ultra-Small-Angle, Small-Angle, and Wide-Angle X-ray Scattering (USAXS/SAXS/WAXS)

September 26, 2017
Author(s)
Fan Zhang, Andrew J. Allen, Greeshma Gadikota
In this study, synchrotron-based in-operando multi-scale X-ray scattering analyses are used to connect the microstructural changes to the phase changes in kaolinite on heating from 30 °C to 1150 °C. Combined ultra-small-angle and small-angle X-ray

Internal Pressure and Internal Energy of Saturated and Compressed Phases

September 12, 2017
Author(s)
Joe W. Magee, Ilmutdin Abdulagatov, Nikolai Polikhronidi, Rabiyat Batyrova
Following a critical review of the field, a comprehensive analysis is provided of the internal pressure of fluids and fluid mixtures and its determination in a wide range of temperatures and pressures. Further, the physical meaning is discussed of the

Yang-Yang Critical Anomaly

September 12, 2017
Author(s)
Joe W. Magee, Ilmutdin Abdulagatov, Nikolai Polikhronidi, Rabiyat Batyrova
Following a critical review of related research, a method is described to evaluate the Yang-Yang critical anomaly strength function, , from experimental measurements of two-phase liquid ( ) and vapor ( ) isochoric heat capacities and liquid ( ) and vapor (

Surface interaction parameter measurement of solvated polymers via model end-tethered chains

August 11, 2017
Author(s)
Richard J. Sheridan, Sara V. Orski, Ronald L. Jones, Sushil K. Satija, Kathryn L. Beers
We present a method for the direct measurement of the relative energy of interaction between a solvated polymer and a solid interface. By tethering linear chains covalently to the surface, we ensured the idealized and constant configuration of polymer

Temperature extrapolation of multicomponent grand canonical free energy landscapes

August 7, 2017
Author(s)
Nathan Mahynski, Jeffrey R. Errington, Vincent K. Shen
We derive a method for extrapolating the grand canonical free energy landscape of a multicomponent fluid system from one temperature to another. Previously, we introduced this statistical mechanical framework for the case where kinetic energy contributions

Connection between thermodynamics and dynamics of simple fluids in pores: impact of fluid-fluid interaction range and fluid-solid interaction strength

July 5, 2017
Author(s)
William P. Krekelberg, Daniel W. Siderius, Vincent K. Shen, Thomas M. Truskett, Jeffrey R. Errington
Using molecular simulations, we investigate how the range of fluid-fluid (adsorbate-adsorbate) interactions and the strength of fluid-solid (adsorbate-adsorbent) interactions impact the strong connection between distinct adsorptive regimes and distinct

Jetting of a shear banding fluid in a rectangular duct

March 14, 2017
Author(s)
Paul NMN Salipante, Charles A. Little, Steven D Hudson
We report on a jetting flow instability of shear banding worm-like micelle (WLM) solutions in microfluidic channels with rectangular cross-sections over an intermediate volumetric flow regime. Particle tracking methods are used to measure the three
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