# Thermodynamic properties of mixtures of dipolar and quadrupolar hard spheres: Theory and simulation

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Presents the exact limiting value of the derivative of the excess Helmholtz energy with respect to molecular size at constant temperature, density and composition for a binary mixture of hard spheres. Derivation of the limit; Comparison of the limiting value with the...

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The Helmholtz free energy of neat water, neat acetone, and acetone-water mixtures of various compositions covering the acetone mole fraction range of 0.02â€“0.26 is calculated at 300 K by computer simulation using the method of thermodynamic integration. In the calculations the mixtures of...

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We give meaning to the first and second laws of thermodynamics in case of mesoscopic out-of-equilibrium systems which are driven by diffusion-type, specifically Smoluchowski, processes. The notion of entropy production is analyzed. The role of the Helmholtz extremum principle is contrasted to...

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Elasticity of the polymer network, with nematic interactions between segments of all the system chains, is considered. The Maier and Saupe molecular mean-field is used for description of nematic interactions. Calculations are performed for non-Gaussian network containing chains of finite contour...

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The modeling of energy elastic effects in polymeric liquids is discussed. Since the conformational energy depends on local degrees of freedom, we advocate the use of a local structural variable in addition to the commonly employed conformation tensor. Using a toy model that is described by...

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An equation of state (EOS) is presented for the thermodynamic properties of benzene that is valid from the triple point temperature (278.674 K) to 725 K with pressures up to 500MPa. The equation is expressed in terms of the Helmholtz energy as a function of temperature and density. This...

- FORMULACIÃ“N MECÃNICA DE LA TERMODINÃMICA DE HELMHOLTZ. Rodríguezy, Brenda P.; Núñez, Henry // Momento: Revista de FÃsica;jun2013, Issue 46, p51
In the nineteenth century, the mechanistic idea of natural phenomena had been consolidated to the point of believing that it was possible to explain all the physical from the mechanical theory. In this paper we show how thermodynamics is in uenced by this prejudice, beginning with the...