THEORETICAL INVESTIGATIONS OF PROPERTIES OF HYDROGEN AND HELIUM MIXTURE BASED ON PERTURBATION THEORY

In this paper, we have investigated thermodynamic parameters of hydrogen and helium fluid mixture with assistance of statistical perturbation theory. The results have been compared with existing theoretical and Monte Carlo simulation methods based. Moreover, the effects of density, temperature and helium concentration on equation of state (EOS) of this mixture have been considered. Likewise, since exp-6 potential has given better results in comparison with MC simulations in higher temperatures than double Yukawa potential and avoiding any vague speculation, comparison between effects of these potentials has been presented. The results further suggest that EOS in this place depends sensitively on the density, the potential function and concentration of each component.

Study of Water and Dimethylformamide Interaction by Computer Simulation

Monte Carlo simulations of water-dimethylformamide (DMF) mixtures were performed in the isothermal and isobaric ensemble at 298.15 K and 1 atm. The intermolecular interaction energy was calculated using the classical 6-12 Lennard-Jones pairwise potential plus a Coulomb term. The TIP4P model was used for simulating water molecules, and a six-site model previously optimised by us was used to represent DMF. The potential energy for the water-DMF interaction was obtained via standard geometric combining rules using the original potential parameters for the pure liquids. The radial distribution functions calculated for water-DMF mixtures show well characterised hydrogen bonds between the oxygen site of DMF and hydrogen of water. A structureless correlation curve was observed for the interaction between the hydrogen site of the carbonyl group and the oxygen site of water. Hydration effects on the stabilisation of the DMF molecule in aqueous solution have been investigated using statistical perturbation theory. The results show that energetic changes involved in the hydration process are not strong enough to stabilise another configuration of DMF than the planar one.

Localization of Vibration in Disordered Multi-Span Beams With Damping

The combined effects of disorder and structural damping on the dynamics of a multi-span beam with slight randomness in the spacing between supports are investigated. A wave transfer matrix approach is chosen to calculate the free and forced harmonic responses of this nearly periodic structure. It is shown that both harmonic waves and normal modes of vibration that extend throughout the ordered, undamped beam become spatially attenuated if either small damping or small disorder is present in the system. The physical mechanism which causes this attenuation, however, is one of energy dissipation in the case of damping but one of energy confinement in the case of disorder. The corresponding rates of spatial exponential decay are estimated by applying statistical perturbation methods. It is found that the effects of damping and disorder simply superpose for a multi-span beam with strong interspan coupling, but interact less trivially in the weak coupling case. Furthermore, the effect of disorder is found to be small relative to that of damping in the case of strong interspan coupling, but of comparable magnitude for weak coupling between spans. The adequacy of the statistical analysis to predict accurately localization in finite disordered beams with boundary conditions is also examined.

Vibration Confinement Phenomena in Disordered, Mono-Coupled, Multi-Span Beams

The effects of small, periodicity-destroying irregularities on the dynamics of multi-span beams are examined. It is shown that minute deviations of the span lengths from an ideal value alter qualitatively the dynamic response by localizing vibrations and waves to small geometric regions. These confinement phenomena are studied over a wide frequency range for beams resting on simple supports and with variable interspan coupling. Approximations of the localization factor (the average rate of spatial exponential decay of the vibration amplitude) are derived by statistical perturbation methods and validated by Monte Carlo simulations. If the interspan coupling is strong, localization effects are weak and of no practical significance for most engineering structures. On the other hand, localization is severe for small interspan coupling. Confinement is also generally stronger near the edges of frequency passbands and increases nearly linearly with frequency from passband to passband. This means that strong localization occurs at high frequencies, even for large static coupling between spans.

Vibration Confinement Phenomena in Disordered, Mono-Coupled, Multi-Span Beams

The effects of small, periodicity-destroying irregularities on the dynamics of multi-span beams are examined. It is shown that minute deviations of the span lengths from an ideal value alter qualitatively the dynamic response by localizing vibrations and waves to small geometric regions. These confinement phenomena are studied over a wide frequency range for beams resting on simple supports and with variable interspan coupling. Approximations of the localization factor (the average rate of spatial exponential decay of the vibration amplitude) are derived by statistical perturbation methods and validated by Monte Carlo simulations. If the interspan coupling is strong, localization effects are weak and of no practical significance for most engineering structures. On the other hand, localization is severe for small interspan coupling. Confinement is also generally stronger near the edges of frequency passbands and increases nearly linearly with frequency from passband to passband. This means that strong localization occurs at high frequencies, even for large static coupling between spans. De-localization is also observed at very high frequencies.