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Chemistry

Chemical thermodynamics & chemical properties

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Displaying 251 - 275 of 524

Reversible adsorption kinetics of near surface dimer colloids

August 2, 2016
Author(s)
Paul NMN Salipante, Steven D Hudson
We investigate the effect of shape on reversible adsorption kinetics using colloidal polystyrene dimers near a solid glass surface as a model system. The interaction between colloid and wall is tuned using electrostatic, depletion, and gravity forces to

Chemical kinetic model uncertainty minimization through laminar flame speed measurements

July 25, 2016
Author(s)
Okjoo Park, Peter S. Veloo, David Sheen, Yujie Tao, Fokion N. Egolfopoulos, Hai Wang
Laminar flame speed measurements were carried for mixture of air with eight C3-4 hydrocarbons (propene, propane, 1,3-butadiene, 1-butene, 2-butene, iso-butene, n-butane, and iso-butane) at the room temperature and ambient pressure. Along with C1-2

Method Validation and Standards in Hydrogen/Deuterium Exchange Mass Spectrometry

March 1, 2016
Author(s)
Jeffrey W. Hudgens, Richard Y. Huang, Emma D'Ambro
The chapter examines method validation and measurement standards for measuring protein dynamics by hydrogen/deuterium exchange mass spectrometry. Topics examined include the rationale for a reference measurement system for HDX-MS, attaining high accuracy

Adsorption, X-ray Diffraction, Photoelectron, and Atomic Emission Spectroscopy Benchmark Studies for the Eighth Industrial Fluid Properties Simulation Challenge

January 31, 2016
Author(s)
Daniel Siderius, Vincent K. Shen, Raymond D. Mountain, Richard B. Ross, David B. Aeschliman, Riaz Ahmad, John K. Brennan, Myles L. Brostrom, Kevin A. Frankel, Jonathan D. Moore, Joshua D. Moore, Derrick M. Poirier, Matthias Thommes, Nathan E. Schultz, Kenneth D. Smith
The primary goal of the eighth industrial fluid properties simulation challenge was to test the ability of molecular simulation methods to predict the adsorption of organic adsorbates in activated carbon materials. The challenge focused, in particular, on

The Eighth Industrial Fluid Properties Simulation Challenge

January 31, 2016
Author(s)
Daniel Siderius, Vincent K. Shen, Raymond D. Mountain, Nathan E. Schultz, Riaz Ahmad, John K. Brennan, Kevin A. Frankel, Jonathan D. Moore, Richard B. Ross, Matthias Thommes, Kenneth D. Smith
The goal of the eighth industrial fluid properties simulation challenge was to test the ability of molecular simulation methods to predict the adsorption of organic adsorbates in activated carbon materials. In particular, the eighth challenge focused on

Relation Between Pore Size and the Compressibility of a Confi ned Fluid

November 18, 2015
Author(s)
Daniel W. Siderius, Vincent K. Shen, William P. Krekelberg, Gennady Y. Gor, Christopher J. Rasmussen, Noam Bernstein
When a fluid is conned to a nanopore, its thermodynamic properties differ from the properties of a bulk fluid. Measuring certain properties of con fined fluid can provide information about the pore sizes. Here we report a simple relation between the pore

Thermodynamic Properties of R-227ea, R-365mfc, R-115, and R-13I1

November 13, 2015
Author(s)
Eric W. Lemmon, Roland Span
Equations of state are presented for the refrigerants 1,1,1,2,3,3,3-heptafluoropropane (R-227ea) and 1,1,1,3,3-pentafluorobutane (R-365mfc). Typical uncertainties of properties calculated with the new equations are 0.2 % in density, 1 % to 2 % in heat

A Chemical Kinetic Mechanism for 2-Bromo-3,3,3-trifluoropropene (2-BTP) Flame Inhibition

July 22, 2015
Author(s)
Donald R. Burgess Jr., Valeri I. Babushok, Gregory T. Linteris, Jeffrey A. Manion
The present paper is concerned with the development of a detailed chemical kinetic mechanism to describe the flame inhibition chemistry of the fire suppressant 2-bromo-3,3,3-trifluoropropene (2-BTP). Currently 2-BTP is considered as a fire suppressant to

The impact of current CH4 and N2O atmospheric loss process uncertainties on calculated ozone abundances and trends

May 29, 2015
Author(s)
Vladimir L. Orkin, Eric L. Fleming, Christian George, Dwayne E. Heard, Charles H. Jackman, Michael J. Kurylo , Abdelwahid Mellouki , J B. Burkholder
The atmospheric loss processes of N2O and CH4, their estimated uncertainties, lifetimes, and impacts on ozone abundance and long-term trends are examined using atmospheric model calculations and updated kinetic and photochemical parameters and uncertainty
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