Thermodynamic properties of liquid water from a polarizable intermolecular potential

2013 ◽  
Vol 138 (4) ◽  
pp. 044503 ◽  
Author(s):  
Tesfaye M. Yigzawe ◽  
Richard J. Sadus
Keyword(s):  
Thermodynamic Properties ◽  
Liquid Water ◽  
Intermolecular Potential

Structure of liquid water. III. Thermodynamic properties of liquid deuterium oxide

1975 ◽  
Vol 79 (22) ◽  
pp. 2352-2361 ◽  
Author(s):  
John C. Owicki ◽  
Barry R. Lentz ◽  
Arnold T. Hagler ◽  
Harold A. Scheraga
Keyword(s):  
Thermodynamic Properties ◽  
Liquid Water ◽  
Deuterium Oxide ◽  
Structure Of Liquid

Monte Carlo Simulation of Liquid Water and an Evaluation of Thermodynamic Properties

1991 ◽  
Vol 6 (4-6) ◽  
pp. 275-289 ◽  
Author(s):  
Kazuhiko Honda ◽  
Kazuo Kitaura ◽  
Kichisuke Nishimoto
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Thermodynamic Properties ◽  
Liquid Water

Analysis of Enthalpy Approximation for Compressed Liquid Water

2004 ◽  
Author(s):  
M. Kostic
Keyword(s):  
Thermodynamic Properties ◽  
Liquid Water ◽  
Classical Literature ◽  
Isothermal Compression ◽  
Value Analysis ◽  
Compressed Liquid ◽  
General Improvement

It is custom to approximate solid and liquid thermodynamic properties as being function of temperature only, since they are virtually incompressible, and Pdv compression work may be neglected. Furthermore, in classical literature, for isothermal compression processes, a general improvement and correction for liquid enthalpy approximation is given by adding the “pumping” work, vdP, to the corresponding saturation value. Analysis of water real properties shows that such a correction is unnecessary for intermediate pressures and temperatures, and it is even erroneous for higher temperatures and pressures, and thus counterproductive and misleading.

T0501-2-5 The Effect of Intermolecular Potential Model on Thermodynamic Properties of Cryogenic Hydrogen

2010 ◽  
Vol 2010.8 (0) ◽  
pp. 89-90
Author(s):  
Hiroki NAGASHIMA ◽  
Takashi TOKUMASU ◽  
Shinichi TSUDA ◽  
Nobuyuki TSUBOI ◽  
A.Koichi HAYASHI
Keyword(s):  
Thermodynamic Properties ◽  
Potential Model ◽  
Intermolecular Potential

The second-order theory of conformal solutions

1957 ◽  
Vol 240 (1223) ◽  
pp. 561-580 ◽  
Keyword(s):  
Thermodynamic Properties ◽  
Series Expansion ◽  
Taylor Series ◽  
Taylor Series Expansion ◽  
Order Theory ◽  
Second Order ◽  
Intermolecular Potential ◽  
Cell Theory ◽  
Reference Solution ◽  
Random Mixing

This paper describes a theoretical contribution to the statistical thermodynamics of mixtures of spherical molecules. The second-order perturbation free energy of a conformal solution is obtained by a rigorous Taylor-series expansion of the configuration integral in powers of the differences between intermolecular energy and size parameters, about an ideal unperturbed reference solution. Unlike the first-order terms, those of the second order contain statistical functions of the reference solution which cannot, in general, be related to its thermodynamic properties. All but one of these functions are concerned with departures from a random molecular distribution, and have been called molecular fluctuation integrals ; the remaining function can be related exactly to thermodynamic properties for the Lennard-Jones form of the intermolecular potential. The expressions for the molecular fluctuation integrals implied by the full random mixing approximation and by the semi-random mixing approximation of the cell theory, are derived and compared with the correct expressions given by the cell theory. The role of the Taylor series expansion as a critique of solution theories is discussed.

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