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Donald R. Burgess Jr., Jeffrey A. Manion, Carrigan J. Hayes
A method denoted InChI ER has been developed to describe and identify elementary reactions in a standard computer-readable notation by extending the IUPAC International Chemical Identifier (InChI) formalism. Five additional hierarchical InChI ER layers
Donald R. Burgess Jr., Jeffrey A. Manion, Carrigan J. Hayes
A method of extending the IUPAC International Chemical Identifier (InChI) to describe and identify elementary reactions in a standard computer readable notation is proposed. Denoted InChI-ER, the method is based on the existing InChI formalism, with
Richard A. Perkins, Marcia L. Huber, Marc J. Assael, Efthimia K. Mihailidou, Sofia K. Mylona, Evita J. Sykioti
This article summarizes the correlation procedures developed for IUPAC Project 2012-040-1-100 (Reference correlations for the thermal conductivity and viscosity of fluids over extended range of conditions (vapor, liquid and supercritical region)). This
Yong Zhou, Jun Liu, Steven Penoncello, Eric Lemmon
In this work, an equation of state for cyclohexane has been developed using the Helmholtz energy as the fundamental property with independent variables of density and temperature. Multi-property fitting technology was used to fit the equation of state that
Sofia K. Mylona, K.D. Antoniadis, Marc J. Assael, Marcia L. Huber, Richard A. Perkins
This paper contains new, representative reference equations for the thermal conductivity of o-, m-, p- xylene and ethylbenzene. The equations are based upon a body of experimental data that has been critically assessed for internal consistency and for
This is a preface for a special issue of the International Journal of Thermophysics that contains papers presented at the 18th Symposium on Thermophysical Properties.
The (p, ρ, T, x) behavior of three (methane + propane) mixtures was measured with a two-sinker magnetic suspension densimeter over the temperature range of (248.15 to 373.15) K with pressures up to the lesser of the dew point pressure or 6 MPa. The
Allan H. Harvey, Marcia L. Huber, Arno R. Laesecke, Chris D. Muzny, Richard A. Perkins
The thermophysical properties of carbon dioxide are essential for accurate process design and optimization. While the thermodynamic properties of CO2 are available with excellent accuracy from the reference-quality equation of state of Span and Wagner, the
S. Avgeri, Marc J. Assael, Marcia L. Huber, Richard A. Perkins
This paper contains new, representative reference equations for the viscosity of benzene. The equations are based in part upon a body of experimental data that has been critically assessed for internal consistency and for agreement with theory whenever
Donald R. Burgess Jr., Jeffrey A. Manion, Carrigan J. Hayes
Standardized electronic formats for data are needed to efficiently and transparently communicate the results of scientific studies. A format for the unique identification of chemical species is a requirement in the field of chemistry, and the IUPAC
The evolution of sealed gravitational capillary viscometers for measurements of volatile liquids is reviewed. Two corrections need to be applied to measurements with them: (i) the vapor buoyancy correction and, if coiled capillaries are used, (ii) the
Aqueous DNA solutions at three concentrations were studied as model sputum by viscosity measurements at ambient pressure. Initial measurements at 25 °C, 37.78 °C, and 50 °C indicated a viscosity increase toward 50 °C. This phenomenon was studied by
Using flat-histogram Monte Carlo methods, we investigate the adsorptive behavior of the square-well fluid in two simple slit-pore- like models intended to capture fundamental characteristics of flexible adsorbent materials. The models require thermodynamic
E.K. Michailidou, Marc J. Assael, Marcia L. Huber, Ilmutdin M. Abdulagatov, Richard A. Perkins
This paper contains new, representative reference equations for the viscosity of n-heptane. The equations are based in part upon a body of experimental data that has been critically assessed for internal consistency and for agreement with theory whenever
This chapter reviews the currently available information concerning the behavior of transport properties near the vapor-liquid critical point of fluids and fluid mixtures. Special attention is devoted to the behavior of the thermal conductivity which
We describe the principles, techniques, and performance of acoustic resonators used to measure the shear viscosity, the thermal conductivity, and the bulk viscosity in gases. We developed the Greenspan acoustic viscometer at NIST, where colleagues used it
Viscosity-ratio measurements made with capillary viscometers exploit the accurate values of the viscosity of helium resulting from ab initio calculations. Accurate values of the argon-to-helium viscosity ratio are now used for primary acoustic thermometry
Allan H. Harvey, William T. Parry, James C. Bellows, John S. Gallagher, Richard D. Harwood
This is an update of the standard ASME "Steam Tables" book, giving tables and charts of thermodynamic and transport properties for water and steam, along with background text describing the tables and calculations. The main change from the previous (2nd)
Michael R. Moldover, Roberto M. Gavioso, James B. Mehl, Laurent Pitre, Michael de Podesta, Jintao Zhang
We review the principles, techniques and results from primary acoustic gas thermometry (AGT). Since the establishment of ITS-90, the International Temperature Scale of 1990, spherical and quasi-spherical cavity resonators have been used to realize primary
This article reviews the application of a novel rapid laser-heating technique (referred to as the laser-driven thermal reactor) for characterizing multiphase, multicomponent substances. The technique provides quantitative measurements of various relevant
Richard B. Ross, John K. Brennan, Kevin A. Frankel, Jonathan D. Moore, Raymond D. Mountain, Joshua D. Moore, Riaz Ahmad, Matthias Thommes, Vincent K. Shen, Nathan E. Schultz, Daniel Siderius, Kenneth D. Smith
The primary goal of the seventh industrial fluid properties simulation challenge was to test the ability of molecular simulation methods to predict the adsorption of organic adsorbates in zeolitic materials. The challenge focused, in particular, on the