Nanoscopic liquid bridges between chemically patterned atomistic walls

Article Abstract:

A study of a binary liquid mixture, containing the Lennard-Jones molecules A and B, in equilibrium with a bulk liquid reservoir near the point of phase separation, confined between atomistic chemically patterned walls is illustrated. When there are one or two molecular layers in the bridge and the wall lattice constant is close to that of crystalline A, the normal and lateral forces depend strongly on the registry of the wall lattices, varying in an oscillatory manner.

Oscillation, Oscillations, Properties, Diatomic molecules

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Spatial delocalization in para-H2 clusters

Article Abstract:

The quantum integral Monte Carlo method is applied for the study of [(para-H2).sub.N](N=5-33) clusters at T=2 K, exploring static and dynamic order, which originates from the effects of zero-point energy, kinetic energy and thermal fluctuations in quantum clusters. The centroid cage correlation function decays to zero for large clusters (N-15-33), manifesting the interchange of molecules between different solvate shells, with statistically diminishing back interchange.

Chemical reaction, Rate of, Chemical kinetics

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Higher-order virial coefficients of water models

Article Abstract:

Various methods using direct and indirect sampling are used for the calculation of the classical high-order virial coefficients of water models. The virial series is found to behave well only at the supercritical temperatures.

Transport theory, Equations of state, Kinetic energy

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