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Search Publications by: Allan H. Harvey (Fed)

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Displaying 101 - 125 of 139

First-Principles Calculation of the Air-Water Second Virial Coefficient

April 2, 2007
Author(s)
Allan H. Harvey, Peter H. Huang
Recent theoretical work has produced quantitatively accurate potential-energy surfaces for water with common gases. These pair potentials have been used to calculate cross second virial coefficients with an accuracy superior to that obtained by most

Intermolecular potential and second virial coefficient of the water-nitrogen complex

March 6, 2007
Author(s)
Allan H. Harvey, Akyl S. Tulegenov, Richard J. Wheatley, Matthew P. Hodges
We construct a rigid-body (five-dimensional) potential-energy surface for the water-nitrogen complex using the systematic intermolecular potential extrapolation routine (SIMPER). The intermolecular potential is then extrapolated to the limit of a complete

Effect of Dissolved Air on the Density and Refractive Index of Water

September 30, 2005
Author(s)
Allan H. Harvey, Simon G. Kaplan, John H. Burnett
We consider the effect of dissolved air on the density and the refractive index of liquid water from 0 ¿aC to 50 ¿aC. The density effect is calculated from the best available values of Henry's constants and partial molar volumes for the components of air

Molecular simulation of the diffusivity of NaOH in steam

June 1, 2005
Author(s)
Allan H. Harvey, Raymond D. Mountain
Molecular dynamics simulation is used to calculate the infinite-dilution diffusivity of sodium hydroxide (NaOH) in steam at conditions of temperature and density typical of steam turbines. These data are needed in order to better understand deposition

Method for Estimating the Dielectirc Constant of Natural Gas Mixtures

January 11, 2005
Author(s)
Allan H. Harvey, Eric W. Lemmon
A method is developed for calculating the static dielectric constant (relative permittivity) of fluid mixtures, with an emphasis on natural gas. The dielectric constant is calculated as a function of temperature, density, and composition; the density is

Method for estimating the dielectric constant of natural gas mixtures

January 11, 2005
Author(s)
Allan H. Harvey, Eric Lemmon
A method is developed for calculating the static dielectric constant (relative permittivity) of fluid mixtures, with an emphasis on natural gas. The dielectric constant is calculated as a function of temperature, density, and composition; the density is

Properties of water and aqueous systems: Metrological applications

November 19, 2004
Author(s)
Daniel G. Friend, Allan H. Harvey
Water and aqueous systems are widely used in metrology, which is a major focus of the National Institute of Standards and Technology (NIST). Standards such as those produced by IAPWS can be used to calibrate instruments and validate protocols. In this work

Aqueous Solubility of Volatile Nonelectrolytes

July 1, 2004
Author(s)
Allan H. Harvey, M T. Fernandez-Diaz, J L. Alvarez
The thermodynamics of solution of voletile cormponents in water is reviewed and expressed both in terms of the Henry's constant and the vapor-liquid distribution coefficient. The procedures required to calculate these quantities from experimental data are

Physical Properties of Water

July 1, 2004
Author(s)
Allan H. Harvey, Daniel G. Friend
This chapter reviews the best current information about the thermophysical properties of the fluid phases of water, focusing particularlyon the way in which water's properties change with temperature and pressure at conditions relevant to high-temperature

Correlation for the Second Virial Coefficient of Water

March 4, 2004
Author(s)
Allan H. Harvey, Eric W. Lemmon
A new correlation has been developed to represent the second virial coefficient of water (H2O) as a function of temperature. The formulation was fitted to experimental data, both for the second virial coefficient itself and for a quantity related to its

Intermolecular Potential and Second Virial Coefficient of the Water-Hydrogen Complex

January 1, 2004
Author(s)
M P. Hodges, R J. Wheatley, G K. Schenter, Allan H. Harvey
We construct a rigid-body (5-dimensional) potential-energy surface for the water-hydrogen complex using scaled perturbation theory (SPT). An analytic fit of this surface is obtained, and using this, two minima are found: the global miniumum has C 2v

Molecular Dynamics Calculation of the Diffusivity of Sodium Chloride in Steam

January 1, 2003
Author(s)
Allan H. Harvey, Raymond D. Mountain
Molecular dynamics simulation is used to calculate the diffusivity of sodium chloride at infinite dilution in high-temperature steam at seven state points representing conditions of interest for the study of impurity deposition in steam turbines. Water is

Stream Tables

February 1, 2002
Author(s)
Allan Harvey
This article explains steam tables at an introductory technical level. After some historical meterial on the development of steam tables and their international standardization, the current standrds as adopted by the International Association for the

Intermolecular Potential and Second Virial Coefficient of the Water-Helium Complex

January 1, 2002
Author(s)
M P. Hodges, R J. Wheatley, Allan H. Harvey
A potential-energy surface for the water-helium complex is constructed from scaled perturbation theory calculations, and calibrated using accurate supermolecule methods. At the global minimum, the helium atom lies in the plane of the water molecule with an

Forum 2000: Fluid Properties for New Technologies, Connecting Virtual Design With Physical Reality

October 1, 2001
Author(s)
James C. Rainwater, Daniel G. Friend, Howard J. Hanley, Allan H. Harvey, C D. Holcomb, Arno R. Laesecke, Joe W. Magee, Chris D. Muzny
Forum 2000 was held at the 14th symposium for Thermophysical Properties, with all symposium attendees invited. The Forum addressed the present needs and prioities for thermophysical properties measurements and the challenges facing the experimental

Report on Forum 2000: Fluid Properties for New Technologies - Connecting Virtual Design with Physical Reality

May 14, 2001
Author(s)
James C. Rainwater, Daniel G. Friend, Howard J. Hanley, Allan H. Harvey, C D. Holcomb, Arno D. Laesecke, Joe W. Magee, Chris D. Muzny
Forum 2000, which addressed the present needs and priorities for thermophysical properties measurements, was held June 29, 2000, at the 14th Symposium for Thermophysical Properties in Boulder, Colorado. Seven distinguished experts presented overviews of
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