Volume 133, Issue 5, 07 August 2010
Index of content:
reaction" title="State-to-state quantum dynamics of the reaction" />
The authors report a detailed quantum mechanical study of the state-to-state dynamics of the reaction on an accurate potential energy surface. The scattering dynamics was treated using a reactant coordinate based Chebyshev real wavepacket method with full Coriolis coupling. A total of 84 partial waves were calculated in order to achieve convergence up to the collision energy of 0.17 eV. The differential cross section is near forward-backward symmetric, consistent with the complex-forming mechanism. The product was found to have a monotonically decaying vibrational distribution and highly excited and inverted rotational distributions, also consistent with the formation of the intermediate. These quantum mechanical results were compared with those obtained in earlier quasiclassical trajectory and statistical studies and it is shown that the statistical theory gives a reasonably good description of the product state distributions despite its inability to predict the total reaction cross section.
133(2010); http://dx.doi.org/10.1063/1.3469770View Description Hide Description
The formation of liquid bridges between planar and conical substrates is analyzed macroscopically taking into account the line tension. Depending on the value of the line tension coefficient and geometric parameters of the system one observes two different scenarios of liquid bridge formation upon changing the fluid state along the bulk liquid-vapor coexistence. For there is a first-order transition to a state with infinitely thick liquid bridge. For the scenario consists of two steps: First there is a first-order transition to a state with liquid bridge of finite thickness, which upon further increase of temperature is followed by continuous growth of the thickness of the bridge to infinity. In addition to constructing the relevant phase diagram we examine the dependence of the width of the bridge on thermodynamic and geometric parameters of the system.