Thermodynamic Properties of Water

Temperature Pressure Density Volume Int. energy Enthalpy Entropy Cv Cv Sound speed Joule-Thomson Therm, cond. Viscosity 

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TABLE 2-357 Thermodynamic Properties of Water Substance along the Melting Line... 

Bakanova, A.A., Zubarev, V.N., Sutulov, Y.N., and Trunin, R.F. (1976), Thermodynamic Properties of Water at High Pressures and Temperatures, Soviet Phys. JETP 41, 544-548. 

The QFH effective potential gives good agreement with path integral results for the thermodynamic properties of water. 

In Table 2.1, some properties of cryoliquids are compared with the thermodynamic properties of water. The boiling temperature and the latent heat L are of particular importance for the refrigeration processes. 

Keenan, J. H., F. G. Keyes, P. G. Hill and J. G. Moore, 1969, Steam Tables, Thermodynamic Properties of Water Including Vapor, Liquid, and Solid Phases. Wiley, New York. 

Suresh, S J. and Naik, V.M. 2000. Hydrogen bond thermodynamic properties of water from dielectric constant data. J. Chem. Phys. 113, 9727-9732. 

Results in Table I illustrate some of the strengths and weaknesses of the ST2, MCY and CF models. All models, except the MCY model, accurately predict the internal energy, -U. Constant volume heat capacity, Cv, is accurately predicted by each model for which data is available. The ST2 and MCY models overpredict the dipole moment, u, while the CF model prediction is identical with the value for bulk water. The ratio PV/NkT at a liquid density of unity is tremendously in error for the MCY model, while both the ST2 and CF models predictions are reasonable. This large error using the MCY model suggests that it will not, in general, simulate thermodynamic properties of water accurately (29). Values of the self-diffusion coefficient, D, for each of the water models except the CF model agree fairly well with the value for bulk water. 

The need for methods of accurately describing the thermodynamic behavior of natural and synthetic gas systems has been well established. Of the numerous equations of state available, three--the Soave-Redlich-Kwong (SRK) (19), the Peng-Robinson (PR) (18) and the Starling version of the Benedict-Webb-Rubin (BWRS) (13, 20)--have satisfied this need for many hydrocarbon systems. These equations can be readily extended to describe the behavior of synthetic gas systems. At least two of the equations (SRK and PR) have been further extended to describe the thermodynamic properties of water-light hydrocarbon systems. 

Figure 1.1 Geometrical model depicting thermodynamic properties of water in Gibbs coordinates. This plaster model, currently in the Beinecke Library at Yale University, was created by noted British physicist James Clark Maxwell as a gift to American thermodynamicist J. Willard Gibbs (see www.pubhc.iastate.edu/ jolls/ for computer-generated representations by Professor K. R. Jolls).

Figure 44-1. Thermodynamic properties of water Irom 0 to 375 C (Metnc system)...

Summit M, Baross JA (1998) Thermophilic subseafloor microorganisms from the 1996 North Gorda Ridge eruption. Deep-Sea Res II 45 2751-2766 Ter Minassian L, Pruzan P, Soulard A (1981) Thermodynamic properties of water under pressure up to 5 kbar and between 28 and 120 °C. Estimations in the supercooled region down to —40°C. J Chem Phys 75 3064-3072 Thomas DN, Dieckmann GS (2002) Antarctic sea ice—a habitat for ex-tremophiles. Science 295 641-644... 

The International Association for the Properties of Water and Steam, 1997, IAPWS Industrial Formulation 1997 for the Thermodynamic Properties of Water and Steam, Erlangen, Germany. 

Frank HS, Quist AS (1961) Pauling s model and the thermodynamic properties of water. J Chem Phys 34 604-611... 

There are models for water in the literature which aim at building up an effective Hamiltonian from a description of structure V. These models must give the same results for long-time dynamics as those that will emerge straightforwardly from our statistical model, based on H-bond dynamics. This must be expected in the temperature range at which the structural features of the H-bond network are dominant, lliese literature models are limited to descaibing the short-time dynamics and some thermodynamic properties of water. 

These classical interaction potentials must be parameterized, e.g. the magnitude of the partial charges on each atom in the molecule must be assigned, and the equilibrium bond length and size of the harmonic force constant must be attached to each bond. In the early biomolecular MM forcefields, these parameters were developed to produce molecular models that could reproduce known experimental properties of the bulk system. For example, several MM water models have been developed. ° One of the earliest successful models, TIP3P, was parameterized such that simulations of boxes of TIP3P molecules reproduced known thermodynamic properties of water, such as liquid density and heats of vaporisation. Such a parameterisation scheme is to be applauded, as it ties the molecular model closely to experiment. Indeed many of the common MM models of amino acids were developed by comparison to experiment, e.g. OPLS. Indeed it is such a good... 

The purpose of this paper is to shed additional light on the cosolvent concentration dependence of OSVC in water— protein—cosolvent mixtures. The Kirkwood—Buff theory of solutions was used to derive an expression which connects OSVC to the thermodynamic properties of water—protein— cosolvent mixtures. These properties can be subdivided into two groups (1) those due to a protein-free water—cosolvent mixture, such as concentrations, isothermal compressibility, partial molar volumes, and the derivative of the water activity coefficient with respect to the water molar fraction and (2) those of infinitely dilute (with respect to the protein) water—protein—cosolvent mixtures, such as the partial molar volume of the protein at infinite dilution (VT) and the derivatives of the protein activity coefficient with respect to the protein and water molar fractions (/21 and J22). It was found that the derived expression for OSVC contains three contributions (1) ideal mixture contribution B >),... 

M. Modell, A. Z. Panagiotopoulos and M. C. Kutney, Modeling and Simulation of the Thermodynamic Properties of Water and Supercritical Water Mixtures, Joint 6th International Symposium on Hydrothermal Reaction and 4th International Conference on Solvo-thermal Reactions, Kochi, Japan, 2000. 

Nemethy, G. and Scheraga, H.A. Structure of water and hydrophobic bonding in proteins. 1. A model for the thermodynamic properties of water, /. Phys. Chem., 36, 3382,1962. 

Experimental data on thermodynamic properties of water in the stable and the metastable states make it possible to approximate the spinodal. An empirical... 

In the past, engineers used steam tables to obtain properties of water and steam. While such books still exist [6, 7], it is now usually more convenient to use software that implements lAPWS property standards [8]. Table 1.1 reports the thermodynamic properties of water for saturated liquid and vapor. Such short tables are useful for quick reference design calculations usually require more extensive tables or software. 

Thermodynamic properties of water (steam) by Allen Donn. 

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