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Michael D. Frenkel, Robert D. Chirico, Vladimir Diky, Xinjian Yan, Qian Dong, Chris D. Muzny
The first full-scale software implementation of the dynamic data evaluation concept {ThermoData Engine (TDE)} is described for thermophysical and thermochemical property data. This concept requires the development of large electronic databases capable of
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
Vladimir Rohac, Kvetoslav Ruzicka, Vlastimil Ruzicka, Dzmitry H. Zaitsau, Gennady J. Kabo, Vladimir Diky, Karel Aim
Measurements of vapour pressure in the liquid phase and of enthalpy of vaporisation and results of calculation of ideal gas properties for diethyl phthalate are reported. The method of comparative ebulliometry, the static method, and the Knudsen mass loss
Yadu D. Tewari, T. Ihara, Karen W. Phinney, M P. Mayhew
The time course and thermodynamics of the lipase-catalyzed transesterification reaction (benzl alcohol + butyl acetate = benzyl acetate + 1-butanol) has been studied in supercritical carbon dioxide (SCCO 2), n-hexane, toluene, and neat media (no solvent
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
Robert D. Chirico, Michael D. Frenkel, Vladimir Diky, K N. Marsh, R C. Wilhoit
ThermoML is an XML-based approach for storage and exhange of experimental and critically evaluated thermophysical and thermochemical property data. Extensions to the ThermoML schema for the expression of uncertainties are described. Basic principles, scope
This review, which has been prepared for the McGraw-Hill 2003 Yearbook of Science and Technology, gives an overview of the thermodynamics of enzyme-catalyzed reactions. Topics include the thermodynamic formalism(s) used in this field, computational methods
Thermodynamic data are critical as input to models that attempt to interpret the geochemistry of environmentally important elements such as arsenic. Unfortunately, the thermodynamic data for mineral phases of arsenic and their solubilities have been highly
The last twenty five years have seen significant advances in the technology and theoretical models associated with the use of piston gauges for the measurement of both pneumatic and hydraulic pressure. Most notably, the incorporation of computers and
This table contains selected values for the pK, standard molar enthalpy of reaction {Δ} rH , and standard molar heat-capacity change {Δ} rC p for the ionization reactions of 64 buffers many of which are relevant to biochemistry and to biology. The values
This book narrates the story of pioneering scientists in the Netherlands, who reached a profound and comprehensive understanding of fluid mixture phase separation within a brief time span around the turn of the 19th century. This achievement was the
A new formulation has been developed to represent the vapor pressure of heavy water (D 20) from its triple point to its critical point. This work takes advantage of several developments since the publication of the best previous formulation: the
Experimental data on the enthalpies of formation of chloromethanes, chloroethynes, chloroethenes, and chloroethanes are critically reviewed. Enthalpy of formation values for the C1 and C2 chlorinated hydrocarbons are highly cross-linked by various measured
The thermodynamics of the lipase-catalyzed esterification of glycerol with n-octanoic acid have been investigated with acetonitrile, benzene, and toluene as solvents and in the neat reaction mixture (no organic solvent added). This esterification reaction
Michael R. Moldover, Keith A. Gillis, John J. Hurly, J B. Mehl, J Wilhelm
Cylindrical acoustic resonators developed at the National Institute of Standards and Technology (NIST) are routinely used to measure the speed of sound in gases with uncertainties of 0.01% or less. The pressure dependence of the data is fitted with model
In this chapter, we review the principles of sound propagation in fluid systems. From a study of the hydrodynamic equations, sound propagation is shown to be a wave phenomenon. The speed of sound then can be derieved at any state point from a knowledge of
Radiolysis of liquid 1-butyl-3-methylimidazolium (BMI +) salts leads to formation of several species with similar absorption spectra. To identify and characterize these species, experiments were carried out with BMI + in solution under various conditions
A Mathematica package BioEqCalc.m has been developed for treating complex equilibria in aqueous solutions. The package is geared towards the treatment of biochemical systems and as such yields information on the molalities and mole fractions of the species
Differential scanning calorimeters (DSCs) have been widely used to determine the thermodynamics of phase transitions and conformational changes in biological systems including proteins, nucleic acid sequences, and lipid assemblies. DSCs monitor the
Mixing of fluids is a central component to innumerable operations in chemical processing on the plant floor and also in many laboratory operations. Most mixing applications simply require the efficient blending of fluids present in a single phase, such as