A new phase of hydroquinone and its thermodynamic properties

Article Abstract:

Research was conducted to examine a new phase of hydroquinone and its thermodynamic properties. The alpha phase of hydroquinone was observed to transform to a denser polymorph, delta, with positive latent enthalpy under elevated pressures. The high thermal expansion coefficient and abnormally high internal pressure of the P-V-T relations of delta suggest that the vvdW energy rather than the HB energy may be predominant in delta. Since the entropy normally decreases as the volume decreases, the transitions with negative latent volume and positive latent entropy seems peculiar.

Chemical equilibrium, Hydroquinone

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Melting and phase space transitions in small ionic clusters

Article Abstract:

A study was conducted to analyze the thermodynamical properties of small neutral sodium fluoride clusters by Monte Carlo and molecular dynamics simulations. The steepest descent quenching technique was utilized to determine the minima on the potential energy surface along Monte Carlo trajectories. Experimental results addressed concerns associated with a general thermodynamical definition of the liquid phase in finite systems.

Analysis, Usage, Molecular dynamics, Monte Carlo method, Monte Carlo methods, Sodium fluoride

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